Design sensitivity analysis with Applicon IFAD using the adjoint variable method

NASA Technical Reports Server (NTRS)

Frederick, Marjorie C.; Choi, Kyung K.

1984-01-01

A numerical method is presented to implement structural design sensitivity analysis using the versatility and convenience of existing finite element structural analysis program and the theoretical foundation in structural design sensitivity analysis. Conventional design variables, such as thickness and cross-sectional areas, are considered. Structural performance functionals considered include compliance, displacement, and stress. It is shown that calculations can be carried out outside existing finite element codes, using postprocessing data only. That is, design sensitivity analysis software does not have to be imbedded in an existing finite element code. The finite element structural analysis program used in the implementation presented is IFAD. Feasibility of the method is shown through analysis of several problems, including built-up structures. Accurate design sensitivity results are obtained without the uncertainty of numerical accuracy associated with selection of a finite difference perturbation.

Three dimensional, numerical analysis of an elasto hydrodynamic lubrication using fluid structure interaction (FSI) approach

NASA Astrophysics Data System (ADS)

Hanoca, P.; Ramakrishna, H. V.

2018-03-01

This work is related to develop a methodology to model and simulate the TEHD using the sequential application of CFD and CSD. The FSI analyses are carried out using ANSYS Workbench. In this analysis steady state, 3D Navier-Stoke equations along with energy equation are solved. Liquid properties are introduced where the viscosity and density are the function of pressure and temperature. The cavitation phenomenon is adopted in the analysis. Numerical analysis has been carried at different speeds and surfaces temperatures. During the analysis, it was found that as speed increases, hydrodynamic pressures will also increases. The pressure profile obtained from the Roelands equation is more sensitive to the temperature as compared to the Barus equation. The stress distributions specify the significant positions in the bearing structure. The developed method is capable of giving latest approaching into the physics of elasto hydrodynamic lubrication.

Studies on molecular structure, vibrational spectra and molecular docking analysis of 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate

NASA Astrophysics Data System (ADS)

Suresh, D. M.; Amalanathan, M.; Hubert Joe, I.; Bena Jothy, V.; Diao, Yun-Peng

2014-09-01

The molecular structure, vibrational analysis and molecular docking analysis of the 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate (MDDNAB) molecule have been carried out using FT-IR and FT-Raman spectroscopic techniques and DFT method. The equilibrium geometry, harmonic vibrational wave numbers, various bonding features have been computed using density functional method. The calculated molecular geometry has been compared with experimental data. The detailed interpretation of the vibrational spectra has been carried out by using VEDA program. The hyper-conjugative interactions and charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The simulated FT-IR and FT-Raman spectra satisfactorily coincide with the experimental spectra. The PES and charge analysis have been made. The molecular docking was done to identify the binding energy and the Hydrogen bonding with the cancer protein molecule.

Selective Laser Melting of Metal Powder Of Steel 3161

NASA Astrophysics Data System (ADS)

Smelov, V. G.; Sotov, A. V.; Agapovichev, A. V.; Tomilina, T. M.

2016-08-01

In this article the results of experimental study of the structure and mechanical properties of materials obtained by selective laser melting (SLM), metal powder steel 316L was carried out. Before the process of cultivation of samples as the input control, the morphology of the surface of the powder particles was studied and particle size analysis was carried out. Also, 3D X-ray quality control of the grown samples was carried out in order to detect hidden defects, their qualitative and quantitative assessment. To determine the strength characteristics of the samples synthesized by the SLM method, static tensile tests were conducted. To determine the stress X-ray diffraction analysis was carried out in the material samples.

An Introductory Classroom Exercise on Protein Molecular Model Visualization and Detailed Analysis of Protein-Ligand Binding

ERIC Educational Resources Information Center

Poeylaut-Palena, Andres, A.; de los Angeles Laborde, Maria

2013-01-01

A learning module for molecular level analysis of protein structure and ligand/drug interaction through the visualization of X-ray diffraction is presented. Using DeepView as molecular model visualization software, students learn about the general concepts of protein structure. This Biochemistry classroom exercise is designed to be carried out by…

Cost-effective use of minicomputers to solve structural problems

NASA Technical Reports Server (NTRS)

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

1978-01-01

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

New approach for determination of the influence of long-range order and selected ring oscillations on IR spectra in zeolites

NASA Astrophysics Data System (ADS)

Mikuła, Andrzej; Król, Magdalena; Mozgawa, Włodzimierz; Koleżyński, Andrzej

2018-04-01

Vibrational spectroscopy can be considered as one of the most important methods used for structural characterization of various porous aluminosilicate materials, including zeolites. On the other hand, vibrational spectra of zeolites are still difficult to interpret, particularly in the pseudolattice region, where bands related to ring oscillations can be observed. Using combination of theoretical and computational approach, a detailed analysis of these regions of spectra is possible; such analysis should be, however, carried out employing models with different level of complexity and simultaneously the same theory level. In this work, an attempt was made to identify ring oscillations in vibrational spectra of selected zeolite structures. A series of ab initio calculations focused on S4R, S6R, and as a novelty, 5-1 isolated clusters, as well as periodic siliceous frameworks built from those building units (ferrierite (FER), mordenite (MOR) and heulandite (HEU) type) have been carried out. Due to the hierarchical structure of zeolite frameworks it can be expected that the total envelope of the zeolite spectra should be with good accuracy a sum of the spectra of structural elements that build each zeolite framework. Based on the results of HF calculations, normal vibrations have been visualized and detailed analysis of pseudolattice range of resulting theoretical spectra have been carried out. Obtained results have been applied for interpretation of experimental spectra of selected zeolites.

Flutter analysis of composite box beams

NASA Technical Reports Server (NTRS)

Hodges, Dewey H.; Greenman, Matthew

1995-01-01

The dynamic aeroelastic instability of flutter is an important factor in the design of modern high-speed, flexible aircraft. The current trend is toward the creative use of composites to delay flutter. To obtain an optimum design, we need an accurate as well as efficient model. As a first step towards this goal, flutter analysis is carried out for an unswept composite box beam using a linear structural model and Theodorsen's unsteady aerodynamic theory. Structurally, the wing was modeled as a thin-walled box-beam of rectangular cross section. Theodorsen's theory was used to get 2-D unsteady aerodynamic forces, which were integrated over the span. A free-vibration analysis is carried out. These fundamental modes are used to get the flutter solution using the V-g method. Future work is intended to build on this foundation.

Theoretical investigations of two adamantane derivatives: A combined X-ray, DFT, QTAIM analysis and molecular docking

NASA Astrophysics Data System (ADS)

Al-Wahaibi, Lamya H.; Sujay, Subramaniam; Muthu, Gangadharan Ganesh; El-Emam, Ali A.; Venkataramanan, Natarajan S.; Al-Omary, Fatmah A. M.; Ghabbour, Hazem A.; Percino, Judith; Thamotharan, Subbiah

2018-05-01

A detailed structural analysis of two adamantane derivatives namely, ethyl 2-[(Z)-1-(adamantan-1-yl)-3-(phenyl)isothioureido]acetate I and ethyl 2-[(Z)-1-(adamantan-1-yl)-3-(4-fluorophenyl)isothioureido]acetate II is carried out to understand the effect of fluorine substitution. The introduction of fluorine atom alters the crystal packing and is completely different from its parent compound. The fluorine substitution drastically reduced the intermolecular H⋯H contacts and this reduction is compensated by intermolecular F⋯H and F⋯F contacts. The relative contributions of various intermolecular contacts present in these structures were quantified using Hirshfeld surface analysis. Energetically significant molecular pairs were identified from the crystal structures of these compounds using PIXEL method. The structures of I and II are optimized in gas and solvent phases using the B3LYP-D3/6-311++G(d,p) level of theory. The quantum theory of atoms-in-molecules (QTAIM) analysis was carried out to estimate the strengths of various intermolecular contacts present in these molecular dimers. The results suggest that the Hsbnd H bonding take part in the stabilization of crystal structures. The experimental and theoretical UV-Vis results show the variations in HOMO and LUMO energy levels. In silico docking analysis indicates that both compounds I and II may exhibit inhibitory activity against 11-β-hydroxysteroid dehydrogenase 1 (11-β-HSD1).

Periodic density functional theory study of spin crossover in the cesium iron hexacyanochromate prussian blue analog

NASA Astrophysics Data System (ADS)

Wojdeł, Jacek C.; Moreira, Ibério de P. R.; Illas, Francesc

2009-01-01

This paper presents a detailed theoretical analysis of the electronic structure of the CsFe[Cr(CN)6] prussian blue analog with emphasis on the structural origin of the experimentally observed spin crossover transition in this material. Periodic density functional calculations using generalized gradient approximation (GGA)+U and nonlocal hybrid exchange-correlation potentials show that, for the experimental low temperature crystal structure, the t2g6eg0 low spin configuration of FeII is the most stable and CrIII (S =3/2, t2g3eg0) remains the same in all cases. This is also found to be the case for the low spin GGA+U fully relaxed structure with the optimized unit cell. A completely different situation emerges when calculations are carried out using the experimental high temperature structure. Here, GGA+U and hybrid density functional theory calculations consistently predict that the t2g4eg2 FeII high spin configuration is the ground state. However, the two spin configurations appear to be nearly degenerate when calculations are carried out for the geometries arising from a GGA+U full relaxation of the atomic structure carried out at experimental high temperature lattice constant. A detailed analysis of the energy difference between the two spin configurations as a function of the lattice constant strongly suggests that the observed spin crossover transition has a structural origin with non-negligible entropic contributions of the high spin state.

Manufacturing error sensitivity analysis and optimal design method of cable-network antenna structures

NASA Astrophysics Data System (ADS)

Zong, Yali; Hu, Naigang; Duan, Baoyan; Yang, Guigeng; Cao, Hongjun; Xu, Wanye

2016-03-01

Inevitable manufacturing errors and inconsistency between assumed and actual boundary conditions can affect the shape precision and cable tensions of a cable-network antenna, and even result in failure of the structure in service. In this paper, an analytical sensitivity analysis method of the shape precision and cable tensions with respect to the parameters carrying uncertainty was studied. Based on the sensitivity analysis, an optimal design procedure was proposed to alleviate the effects of the parameters that carry uncertainty. The validity of the calculated sensitivities is examined by those computed by a finite difference method. Comparison with a traditional design method shows that the presented design procedure can remarkably reduce the influence of the uncertainties on the antenna performance. Moreover, the results suggest that especially slender front net cables, thick tension ties, relatively slender boundary cables and high tension level can improve the ability of cable-network antenna structures to resist the effects of the uncertainties on the antenna performance.

Experimental Tensile Strength Analysis of Woven-Glass/Epoxy Composite Plates with Central Circular Hole

NASA Astrophysics Data System (ADS)

Hadi, Bambang K.; Rofa, Bima K.

2018-04-01

The use of composite materials in aerospace engineering, as well as in maritime structure has increased significantly during the recent years. The extensive use of composite materials in industrial applications should make composite structural engineers and scientists more aware of the advantage and disadvantage of this material and provide them with necessary data and certification process. One of the problems in composite structures is the existence of hole. Hole can not be avoided in actual structures, since it may be the necessity of providing access for maintenance or due to impact damage. The presence of hole will weaken the structures. Therefore, in this paper, the effect of hole on the strength of glass-woven/epoxy composite will be discussed. Extensive tests have been carried out to study the effect of hole-diameter on the tensile strengths of these specimens. The results showed that the bigger the hole-diameter compared to the width of the specimens has weakened the structures further, as expected. Further study should be carried in the future to model it with the finite element and theoretical analysis precisely.

Thermoluminescence property of nano scale Al{sub 2}O{sub 3}: C by combustion method

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

Bharthasaradhi, R.; Nehru, L. C.

In this study, thermoluminescence dosimetry material of carbon doped aluminium oxide by combustion method using Aluminium nitrate and Glycine. The Structure of the prepared Sample was carried out by XRD. The sample was nano crystalline in nature. Having hexagonal structure with unit cell parameters a=4.75Å, C=12.99Å. The surface morphology of the prepared nanopowder was carried out through (SEM). The morphology of the prepared sample is platelet structure and functional group analysis carried out through FT-IR Spectrum. The prepared sample was irradiated through γ-ray CO{sup 60} (100 Gy) was used as γ-ray source. The thermoluminescence glow curve of the irradiated samplemore » showed an isolated peak at around 200°C. The result suggest the prepared nanopowder is suitable for medical radiation dosimetry.« less

Optimal Location of Piezoelectric Patch on Composite Structure using Viewing Method

NASA Astrophysics Data System (ADS)

Samyal, Rahul; Bagha, Ashok K.

2017-08-01

A useful material which is manufactured by mixing of two or three different materials in homogeneous level is termed as composite material. In now day’s composite materials are used in wide area such as aerospace, automobiles, satellite, bullet proof jackets, rotor blades etc. In this paper modal analysis of composite material, mixture of polyester as matrix and glass as fiber, is carried out by using ABAQUS software. The modal analysis of composite material for fiber orientation 450 is carried out. In this paper by viewing the different mode shapes of the composite material, the optimal location of piezoelectric patch is carried out.

New approach for determination of the influence of long-range order and selected ring oscillations on IR spectra in zeolites.

PubMed

Mikuła, Andrzej; Król, Magdalena; Mozgawa, Włodzimierz; Koleżyński, Andrzej

2018-04-15

Vibrational spectroscopy can be considered as one of the most important methods used for structural characterization of various porous aluminosilicate materials, including zeolites. On the other hand, vibrational spectra of zeolites are still difficult to interpret, particularly in the pseudolattice region, where bands related to ring oscillations can be observed. Using combination of theoretical and computational approach, a detailed analysis of these regions of spectra is possible; such analysis should be, however, carried out employing models with different level of complexity and simultaneously the same theory level. In this work, an attempt was made to identify ring oscillations in vibrational spectra of selected zeolite structures. A series of ab initio calculations focused on S4R, S6R, and as a novelty, 5-1 isolated clusters, as well as periodic siliceous frameworks built from those building units (ferrierite (FER), mordenite (MOR) and heulandite (HEU) type) have been carried out. Due to the hierarchical structure of zeolite frameworks it can be expected that the total envelope of the zeolite spectra should be with good accuracy a sum of the spectra of structural elements that build each zeolite framework. Based on the results of HF calculations, normal vibrations have been visualized and detailed analysis of pseudolattice range of resulting theoretical spectra have been carried out. Obtained results have been applied for interpretation of experimental spectra of selected zeolites. Copyright © 2018 Elsevier B.V. All rights reserved.

Studies on molecular structure, vibrational spectra and molecular docking analysis of 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate.

PubMed

Suresh, D M; Amalanathan, M; Joe, I Hubert; Jothy, V Bena; Diao, Yun-Peng

2014-09-15

The molecular structure, vibrational analysis and molecular docking analysis of the 3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl 4-aminobenzoate (MDDNAB) molecule have been carried out using FT-IR and FT-Raman spectroscopic techniques and DFT method. The equilibrium geometry, harmonic vibrational wave numbers, various bonding features have been computed using density functional method. The calculated molecular geometry has been compared with experimental data. The detailed interpretation of the vibrational spectra has been carried out by using VEDA program. The hyper-conjugative interactions and charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The simulated FT-IR and FT-Raman spectra satisfactorily coincide with the experimental spectra. The PES and charge analysis have been made. The molecular docking was done to identify the binding energy and the Hydrogen bonding with the cancer protein molecule. Copyright © 2014 Elsevier B.V. All rights reserved.

Structural studies of liquid Co–Sn alloys

PubMed Central

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

2014-01-01

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

Morphological, spectroscopic and thermal studies of samarium chloride coordinated single crystal grown by slow evaporation method

NASA Astrophysics Data System (ADS)

Slathia, Goldy; Raina, Bindu; Gupta, Rashmi; Bamzai, K. K.

2018-05-01

The synthesis of samarium chloride coordinated single crystal was carried out at room temperature by slow evaporation method. The crystal possesses a well defined hexagonal morphology with six symmetrically equivalent growth sectors separated by growth boundaries. The theoretical morphology has been established by structural approach using Bravaise-Friedele-Donnaye-Harker (BFDH) law. Fourier transform infra red spectroscopy was carried in order to study the geometry and structure of the crystal. The detailed thermogravimetric analysis elucidates the thermal stability of the complex.

Review of Preliminary Analysis Techniques for Tension Structures.

DTIC Science & Technology

1984-02-01

INTRODUCTION. .. ..... ....... ....... .... 1 1.1 Purpose of Study .. .. ........ ......... 1I 1.2 Motivation for Study . .. ..... ....... ... 2 1.3 Scope...of Study .. .. ....... ........... 5 Chapter 2. MECHANICS OF TENSION STRUCTURES .. ...... ......... 6 2.1 Deployment Phase...Purpose of Study Tension structures are ones in which the main load-carrying members trans- mit applied loads to the foundations or other supporting

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

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

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

1989-08-01

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

Basic analysis of reflectometry data software package for the analysis of multilayered structures according to reflectometry data

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

Astaf'ev, S. B., E-mail: bard@ns.crys.ras.ru; Shchedrin, B. M.; Yanusova, L. G.

2012-01-15

The main principles of developing the Basic Analysis of Reflectometry Data (BARD) software package, which is aimed at obtaining a unified (standardized) tool for analyzing the structure of thin multilayer films and nanostructures of different nature based on reflectometry data, are considered. This software package contains both traditionally used procedures for processing reflectometry data and the authors' original developments on the basis of new methods for carrying out and analyzing reflectometry experiments. The structure of the package, its functional possibilities, examples of application, and prospects of development are reviewed.

Application of structured analysis to a telerobotic system

NASA Technical Reports Server (NTRS)

Dashman, Eric; Mclin, David; Harrison, F. W.; Soloway, Donald; Young, Steven

1990-01-01

The analysis and evaluation of a multiple arm telerobotic research and demonstration system developed by the NASA Intelligent Systems Research Laboratory (ISRL) is described. Structured analysis techniques were used to develop a detailed requirements model of an existing telerobotic testbed. Performance models generated during this process were used to further evaluate the total system. A commercial CASE tool called Teamwork was used to carry out the structured analysis and development of the functional requirements model. A structured analysis and design process using the ISRL telerobotic system as a model is described. Evaluation of this system focused on the identification of bottlenecks in this implementation. The results demonstrate that the use of structured methods and analysis tools can give useful performance information early in a design cycle. This information can be used to ensure that the proposed system meets its design requirements before it is built.

Thermal analysis of electron gun for travelling wave tubes

NASA Astrophysics Data System (ADS)

Bhat, K. S.; Sreedevi, K.; Ravi, M.

2006-11-01

Thermal analysis of a pierce type electron gun using the FEM software ANSYS and its experimental validation are presented in this paper. Thermal analysis of the electron gun structure has been carried out to find out the effect of heater power on steady state temperature and warm-up time. The thermal drain of the supporting structure has also been analyzed for different materials. These results were experimentally verified in an electron gun. The experimental results closely match the ANSYS results.

Damage Assessment of Two-Way Bending RC Slabs Subjected to Blast Loadings

PubMed Central

Jia, Haokai; Wu, Guiying

2014-01-01

Terrorist attacks on vulnerable structures and their individual structural members may cause considerable damage and loss of life. However, the research work on response and damage analysis of single structural components, for example, a slab to blast loadings, is limited in the literature and this is necessary for assessing its vulnerability. This study investigates the blast response and damage assessment of a two-way bending reinforced concrete (RC) slab subjected to blast loadings. Numerical modeling and analysis are carried out using the commercial finite element code LS-DYNA 971. A damage assessment criterion for the two-way bending RC slab is defined based on the original and residual uniformly distributed load-carrying capacity. Parametric studies are carried out to investigate the effects of explosive weight and explosive position on the damage mode of the two-way RC slab. Some design parameters, such as the boundary conditions and the negative reinforcement steel bar length, are also discussed. The illustrated results show that the proposed criterion can apply to all failure modes. The damage assessment results are more accurate than the ones due to the conventional deformation criterion. PMID:25121134

Influence of vacuum annealing on the properties of Cu2SnS3 thin films using low cost ultrasonic spray pyrolysis

NASA Astrophysics Data System (ADS)

Rahaman, Sabina; Sunil, M. Anantha; Shaik, Habibuddin; Ghosh, Kaustab

2018-05-01

Deposition of Cu2SnS3 (CTS) thin films is successfully carried out on soda lime glass substrate using low cost ultrasonic spray pyrolysis technique. Vacuum annealing of CTS films is carried out at different temperatures 350°C, 400°C and 450°C. The present work is to study the effect of annealing temperature on the crystal structure, surface morphology and optical properties of CTS thin films. Structural studies confirm the formation of CTS phase. Raman analysis is carried out to study presence of defects with annealing temperature. Optical studies confirm that film prepared at 450°C temperature is suitable as absorber material for photovoltaic applications.

Seismic Response of Steel Braced Building Frame Considering Soil Structure Interaction (SSI): An Experimental Study

NASA Astrophysics Data System (ADS)

Hirave, Vivek; Kalyanshetti, Mahesh

2018-02-01

Conventional fixed-base analysis ignoring the effect of soil-flexibility may result in unsafe design. Therefore, to evaluate the realistic behavior of structure the soil structure interaction (SSI) effect shall be incorporated in the analysis. In seismic analysis, provision of bracing system is one of the important option for the structure to have sufficient strength with adequate stiffness to resist lateral forces. The different configuration of these bracing systems alters the response of buildings, and therefore, it is important to evaluate the most effective bracing systems in view point of stability against SSI effect. In present study, three RC building frames, G+3, G+5 and G+7 and their respective scaled down steel model with two types of steel bracing system incorporating the effect of soil flexibility is considered for experimental and analytical study. The analytical study is carried out using Elastic continuum approach and the experimental study is carried out using Shake Table. The influence of SSI on various seismic parameters is presented. The study reveals that, steel bracing system is beneficial to control SSI effect and it is observed that V bracing is more effective, in resisting seismic load considering SSI.

Analytical and Experimental Characterization of Gravity Induced Deformations In Subscale Gossamer Structures

NASA Technical Reports Server (NTRS)

Johnston, John D.; Blandino, Joseph R.; McEvoy, Kiley C.

2004-01-01

The development of gossamer space structures such as solar sails and sunshields presents many challenges due to their large size and extreme flexibility. The post-deployment structural geometry exhibited during ground testing may significantly depart from the in-space configuration due to the presence of gravity-induced deformations (gravity sag) of lightly preloaded membranes. This paper describes a study carried out to characterize gravity sag in two subscale gossamer structures: a single quadrant from a 2 m, 4 quadrant square solar sail and a 1.7 m membrane layer from a multi-layer sunshield The behavior of the test articles was studied over a range of preloads and in several orientations with respect to gravity. An experimental study was carried out to measure the global surface profiles using photogrammetry, and nonlinear finite element analysis was used to predict the behavior of the test articles. Comparison of measured and predicted surface profiles shows that the finite dement analysis qualitatively predicts deformed shapes comparable to those observed in the laboratory. Quantitatively, finite element analysis predictions for peak gravity-induced deformations in both test articles were within 10% of measured values. Results from this study provide increased insight into gravity sag behavior in gossamer structures, and demonstrates the potential to analytically predict gravity-induced deformations to within reasonable accuracy.

Immunochemical and structural analysis of the O polysaccharides of Salmonella zuerich [1,9,27,(46)

PubMed Central

Nghiêm, H O; Himmelspach, K; Mayer, H

1992-01-01

Salmonella zuerich [1,9,27,(46)] has been shown to exhibit two levels of structural heterogeneity. The bacterium carries two distinct O-polysaccharide molecules with and without O:factor 1. Both sets of molecules (1+ and 1-) carry the two O:factors 27 and 46 on the same O chain, but they are expressed unevenly; in contrast to factor 27, O:factor 46 is always weakly expressed. Part of this weak expression was thought to be due to strong inhibition of factor 46 by factor 1. In this study, serological analysis gave more detailed information on the sizes of the different O:factor epitopes. Structural analysis of S. zuerich O polysaccharides showed that they are constructed of the expected chemical sequences characteristic of factors 1, 9, 27, and 46. No modification in the sugar sequence could account for the weak expression of O:factor 46. Factors 27 and 46 are present on oligosaccharides carrying either an alpha-Man (factor 27) or a beta-Man (factor 46) residue. In S. zuerich, the alpha-Man configuration is predominant, corroborating the expression of strong factor 27 and weak factor 46 on the bacteria. Questions raised by the existence of such heterogeneous O polysaccharides on the specificity of the O chain polymerase, as well as the place of S. zuerich in Salmonella evolution, are dicussed in this paper. PMID:1372315

Probing the structure of heterogeneous diluted materials by diffraction tomography.

PubMed

Bleuet, Pierre; Welcomme, Eléonore; Dooryhée, Eric; Susini, Jean; Hodeau, Jean-Louis; Walter, Philippe

2008-06-01

The advent of nanosciences calls for the development of local structural probes, in particular to characterize ill-ordered or heterogeneous materials. Furthermore, because materials properties are often related to their heterogeneity and the hierarchical arrangement of their structure, different structural probes covering a wide range of scales are required. X-ray diffraction is one of the prime structural methods but suffers from a relatively poor detection limit, whereas transmission electron analysis involves destructive sample preparation. Here we show the potential of coupling pencil-beam tomography with X-ray diffraction to examine unidentified phases in nanomaterials and polycrystalline materials. The demonstration is carried out on a high-pressure pellet containing several carbon phases and on a heterogeneous powder containing chalcedony and iron pigments. The present method enables a non-invasive structural refinement with a weight sensitivity of one part per thousand. It enables the extraction of the scattering patterns of amorphous and crystalline compounds with similar atomic densities and compositions. Furthermore, such a diffraction-tomography experiment can be carried out simultaneously with X-ray fluorescence, Compton and absorption tomographies, enabling a multimodal analysis of prime importance in materials science, chemistry, geology, environmental science, medical science, palaeontology and cultural heritage.

Thermal-Acoustic Analysis of a Metallic Integrated Thermal Protection System Structure

NASA Technical Reports Server (NTRS)

Behnke, Marlana N.; Sharma, Anurag; Przekop, Adam; Rizzi, Stephen A.

2010-01-01

A study is undertaken to investigate the response of a representative integrated thermal protection system structure under combined thermal, aerodynamic pressure, and acoustic loadings. A two-step procedure is offered and consists of a heat transfer analysis followed by a nonlinear dynamic analysis under a combined loading environment. Both analyses are carried out in physical degrees-of-freedom using implicit and explicit solution techniques available in the Abaqus commercial finite-element code. The initial study is conducted on a reduced-size structure to keep the computational effort contained while validating the procedure and exploring the effects of individual loadings. An analysis of a full size integrated thermal protection system structure, which is of ultimate interest, is subsequently presented. The procedure is demonstrated to be a viable approach for analysis of spacecraft and hypersonic vehicle structures under a typical mission cycle with combined loadings characterized by largely different time-scales.

Introduction to the computational structural mechanics testbed

NASA Technical Reports Server (NTRS)

Lotts, C. G.; Greene, W. H.; Mccleary, S. L.; Knight, N. F., Jr.; Paulson, S. S.; Gillian, R. E.

1987-01-01

The Computational Structural Mechanics (CSM) testbed software system based on the SPAR finite element code and the NICE system is described. This software is denoted NICE/SPAR. NICE was developed at Lockheed Palo Alto Research Laboratory and contains data management utilities, a command language interpreter, and a command language definition for integrating engineering computational modules. SPAR is a system of programs used for finite element structural analysis developed for NASA by Lockheed and Engineering Information Systems, Inc. It includes many complementary structural analysis, thermal analysis, utility functions which communicate through a common database. The work on NICE/SPAR was motivated by requirements for a highly modular and flexible structural analysis system to use as a tool in carrying out research in computational methods and exploring computer hardware. Analysis examples are presented which demonstrate the benefits gained from a combination of the NICE command language with a SPAR computational modules.

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.

Optical fiber grating vibration sensor for vibration monitoring of hydraulic pump

NASA Astrophysics Data System (ADS)

Zhang, Zhengyi; Liu, Chuntong; Li, Hongcai; He, Zhenxin; Zhao, Xiaofeng

2017-06-01

In view of the existing electrical vibration monitoring traditional hydraulic pump vibration sensor, the high false alarm rate is susceptible to electromagnetic interference and is not easy to achieve long-term reliable monitoring, based on the design of a beam of the uniform strength structure of the fiber Bragg grating (FBG) vibration sensor. In this paper, based on the analysis of the vibration theory of the equal strength beam, the principle of FBG vibration tuning based on the equal intensity beam is derived. According to the practical application of the project, the structural dimensions of the equal strength beam are determined, and the optimization design of the vibrator is carried out. The finite element analysis of the sensor is carried out by ANSYS, and the first order resonant frequency is 94.739 Hz. The vibration test of the sensor is carried out by using the vibration frequency of 35 Hz and the vibration source of 50 Hz. The time domain and frequency domain analysis results of test data show that the sensor has good dynamic response characteristics, which can realize the accurate monitoring of the vibration frequency and meet the special requirements of vibration monitoring of hydraulic pump under specific environment.

TED analysis of the Si(113) surface structure

NASA Astrophysics Data System (ADS)

Suzuki, T.; Minoda, H.; Tanishiro, Y.; Yagi, K.

1999-09-01

We carried out a TED (transmission electron diffraction) analysis of the Si(113) surface structure. The TED patterns taken at room temperature showed reflections due to the 3×2 reconstructed structure. The TED pattern indicated that a glide plane parallel to the <332> direction suggested in some models is excluded. We calculated the R-factors (reliability factors) for six surface structure models proposed previously. All structure models with energy-optimized atomic positions have large R-factors. After revision of the atomic positions, the R-factors of all the structure models decreased below 0.3, and the revised version of Dabrowski's 3×2 model has the smallest R-factor of 0.17.

MODEL TESTS AND 3D ELASTIC FINITE ELEMENT ANALYSIS FOR STEEL PIPE PILES WITH WINGS IN STALLED IN SOIL CEMENT COLUMN

NASA Astrophysics Data System (ADS)

Tamai, Toshiyuki; Teramoto, Shuntarou; Kimura, Makoto

Steel pipe piles with wings installed in soil cement column is a composite foundation of pile consisting of soil improvement with cement and steel pipe with wings. This type of pile shows higher vertical bearing capacity when compared to steel pipe piles that are installed without soil cement. It is thought the wings contribute to higher bearing capacity of this type of piles. The wings are also thought to play the role of structural unification of pile foundations and load transfer. In this study, model test and 3D elastic finite element analysis was carried out in order to elucidate the effect of wings on the structural unification of pile foundation and the load transfer mechanism. Firstly, the model test was carried out in order to grasp the influence of pile with and without wings, the shape of wings of the pile and the unconfined compression strength of the soil cement on the structural unification of the pile foundation. The numerical analysis of the model test was then carried out on the intermediate part of the pile foundation with wings and mathematical model developed. Finally load tran sfer mechanism was checked for the entire length of the pile through this mathematical model and the load sharing ratio of the wings and stress distribution occurring in the soil cement clarified. In addition, the effect of the wing interval on the structural unification of the pile foundation and load transfer was also checked and clarified.

Chemical analysis of a polysaccharide of unripe (green) tomato (Lycopersicon esculentum).

PubMed

Chandra, Krishnendu; Ghosh, Kaushik; Ojha, Arnab K; Islam, Syed S

2009-11-02

A polysaccharide (PS-I) isolated from the aqueous extract of the unripe (green) tomatoes (Lycopersicon esculentum) consists of D-galactose, D-methyl galacturonate, D-arabinose, L-arabinose, and L-rhamnose. Structural investigation of the polysaccharide was carried out using total acid hydrolysis, methylation analysis, periodate oxidation study, and NMR studies ((1)H, (13)C, DQF-COSY, TOCSY, NOESY, ROESY, HMQC, and HMBC). On the basis of above-mentioned experiments the structure of the repeating unit of the polysaccharide (PS-I) was established as: [structure: see text].

Structural and transport properties of Yb substituted YBaCo4O7

NASA Astrophysics Data System (ADS)

Singh, Bharat; Kumar, Naresh; Gaur, N. K.; Rayaprol, S.

2012-06-01

We investigate a series of compounds of the type, Y1-xYbxBaCo4O7, to study the effect of chemical pressure on the structural and electrical transport properties of a geometrically frustrated cobaltite, YBaCo4O7. Rietveld analysis of XRD data were carried out for all the samples studied. The four probe resistivity measurements were carried out to understand the transport mechanism in these compounds at temperatures below room temperatures. These results are presented and discussed in the context of ongoing efforts in studying geometrically frustrated magnetic compounds with novel physical properties.

BRST-BFV analysis of anomalies in bosonic string theory interacting with background gravitational field

NASA Astrophysics Data System (ADS)

Buchbinder, I. L.; Mistchuk, B. R.; Pershin, V. D.

1995-02-01

A general BRST-BFV analysis of the anomaly in string theory coupled to background fields is carried out. An exact equation for the c-valued symbol of the anomaly operator is found and the structure of its solution is studied.

Synthesis, Characterization, and Theoretical Considerations of 1,2-bis(oxyamino)ethane Salts

NASA Technical Reports Server (NTRS)

Crake, Greg; Hawkins, Tom; Hall, Leslie; Tollison, Kerri; Brand, Adam

2003-01-01

The synthesis, characterization, theoretical calculations, and safety studies of energetic salts of 1,2- bis(oxyamino) ethane, (H2N-O-CH2-CH2-O-NH2), were carried out. The salts were characterized by vibrational (infrared, Raman), multinuclear nmr studies (1H, 13C), differential scanning calorimetry (DSC); elemental analysis; and initial safety testing (impact and friction sensitivity) . Theoretical calculations on the neutral, monoprotonated, and doubly protonated species of ethylene bisoxyamine were carried out using xxxx level of theory for the lowest energy structure and these theoretical results compared with the experimentally observed bond distances and vibrational (ir, Raman) frequency values. The single crystal X-ray diffraction study was carried out on the mono-perchlorate salt revealing a high degree of hydrogen bonding with an unexpected structure.

Optical design of multi-multiple expander structure of laser gas analysis and measurement device

NASA Astrophysics Data System (ADS)

Fu, Xiang; Wei, Biao

2018-03-01

The installation and debugging of optical circuit structure in the application of carbon monoxide distributed laser gas analysis and measurement, there are difficult key technical problems. Based on the three-component expansion theory, multi-multiple expander structure with expansion ratio of 4, 5, 6 and 7 is adopted in the absorption chamber to enhance the adaptability of the installation environment of the gas analysis and measurement device. According to the basic theory of aberration, the optimal design of multi-multiple beam expander structure is carried out. By using image quality evaluation method, the difference of image quality under different magnifications is analyzed. The results show that the optical quality of the optical system with the expanded beam structure is the best when the expansion ratio is 5-7.

The Application of Morpho-Syntactic Language Processing to Effective Phrase Matching.

ERIC Educational Resources Information Center

Sheridan, Paraic; Smeaton, Alan F.

1992-01-01

Describes a process of morpho-syntactic language analysis for information retrieval. Tree Structured Analytics (TSA) used for text representation is summarized; the matching process developed for such structures is outlined with an example appended; and experiments carried out to evaluate the effectiveness of TSA matching are discussed. (26…

Experimental Analysis of Dynamic Effects of FRP Reinforced Masonry Vaults.

PubMed

Corradi, Marco; Borri, Antonio; Castori, Giulio; Coventry, Kathryn

2015-11-27

An increasing interest in the preservation of historic structures has produced a need for new methods for reinforcing curved masonry structures, such as arches and vaults. These structures are generally very ancient, have geometries and materials which are poorly defined and have been exposed to long-term historical movements and actions. Consequently, they are often in need of repair or reinforcement. This article presents the results of an experimental study carried out in the laboratory and during on-site testing to investigate the behaviour of brick masonry vaults under dynamic loading strengthened with FRPs (Fiber Reinforced Polymers). For the laboratory tests, the brick vaults were built with solid sanded clay bricks and weak mortar and were tested under dynamic loading. The experimental tests were designed to facilitate analysis of the dynamic behaviour of undamaged, damaged and reinforced vaulted structures. On-site tests were carried out on an earthquake-damaged thin brick vault of an 18th century aristocratic residence in the city of L'Aquila, Italy. The provision of FRP reinforcement is shown to re-establish elastic behavior previously compromised by time induced damage in the vaults.

Experimental Analysis of Dynamic Effects of FRP Reinforced Masonry Vaults

PubMed Central

Corradi, Marco; Borri, Antonio; Castori, Giulio; Coventry, Kathryn

2015-01-01

An increasing interest in the preservation of historic structures has produced a need for new methods for reinforcing curved masonry structures, such as arches and vaults. These structures are generally very ancient, have geometries and materials which are poorly defined and have been exposed to long-term historical movements and actions. Consequently, they are often in need of repair or reinforcement. This article presents the results of an experimental study carried out in the laboratory and during on-site testing to investigate the behaviour of brick masonry vaults under dynamic loading strengthened with FRPs (Fiber Reinforced Polymers). For the laboratory tests, the brick vaults were built with solid sanded clay bricks and weak mortar and were tested under dynamic loading. The experimental tests were designed to facilitate analysis of the dynamic behaviour of undamaged, damaged and reinforced vaulted structures. On-site tests were carried out on an earthquake-damaged thin brick vault of an 18th century aristocratic residence in the city of L’Aquila, Italy. The provision of FRP reinforcement is shown to re-establish elastic behavior previously compromised by time induced damage in the vaults. PMID:28793697

Crystal growth, structure analysis and characterisation of 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid single crystal

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

Sankari, R. Siva, E-mail: sivasankari.sh@act.edu.in; Perumal, Rajesh Narayana

2014-04-24

Single crystal of dielectric material 2 - (1, 3 - dioxoisoindolin - 2 - yl) acetic acid has been grown by slow evaporation solution growth method. The grown crystal was harvested in 25 days. The crystal structure was analyzed by Single crystal X - ray diffraction. UV-vis-NIR analysis was performed to examine the optical property of the grown crystal. The thermal property of the grown crystal was studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA). The dielectric measurements were carried out and the dielectric constant was calculated and plotted at all frequencies.

The influence of vertical load to the natural vibration of series isolation system

NASA Astrophysics Data System (ADS)

Lin, Z. D.; Shi, H.

2018-02-01

The influence of axial load to the natural vibration of series isolation system is analyzed. The natural frequency of series isolation system is solved by differential quadrature method. According to the vertical load which is the main factor of natural vibration characteristic on the series isolation system, the parameter analysis is carried out. It should provide the basis for the vibration characteristic analysis for the structure of bearing on the top of first story column, and it can also provide evidence for the overall stability analysis of series isolation structure.

Scanning electron microscopy imaging of dislocations in bulk materials, using electron channeling contrast.

PubMed

Crimp, Martin A

2006-05-01

The imaging and characterization of dislocations is commonly carried out by thin foil transmission electron microscopy (TEM) using diffraction contrast imaging. However, the thin foil approach is limited by difficult sample preparation, thin foil artifacts, relatively small viewable areas, and constraints on carrying out in situ studies. Electron channeling imaging of electron channeling contrast imaging (ECCI) offers an alternative approach for imaging crystalline defects, including dislocations. Because ECCI is carried out with field emission gun scanning electron microscope (FEG-SEM) using bulk specimens, many of the limitations of TEM thin foil analysis are overcome. This paper outlines the development of electron channeling patterns and channeling imaging to the current state of the art. The experimental parameters and set up necessary to carry out routine channeling imaging are reviewed. A number of examples that illustrate some of the advantages of ECCI over thin foil TEM are presented along with a discussion of some of the limitations on carrying out channeling contrast analysis of defect structures. Copyright (c) 2006 Wiley-Liss, Inc.

Electrical and thermal properties of Ca and Ni doped barium ferrite

NASA Astrophysics Data System (ADS)

Agrawal, Shraddha; Parveen, Azra; Azam, Ameer

2018-05-01

Ca and Ni doped M type Barium ferrite of the composition ((Ba0.9Ca0.1) (Fe0.8 Ni0.2)12O19) were prepared by the traditional sol gel auto combustion method using citric acid as a fuel. Microstructural analyses were carried out with the help of XRD and SEM. XRD analysis is the evidence of nanometer regime along with crystalline planes of hexagonal structure. It also confirms the hexagonal structure of barium ferrite even with the doping of Ca and Ni. SEM analysis is the signature of the spherical shape and surface morphology of agglomerated form of nano-powders of doped samples. The thermal properties of samples were carried out with the help of TGA. That shows the variation of weight loss of the prepared sample with the temperature.

Experimental sensitivity analysis of subsoil-slab behaviour regarding degree of fibre-concrete slab reinforcement

NASA Astrophysics Data System (ADS)

Hrubesova, E.; Lahuta, H.; Mohyla, M.; Quang, T. B.; Phi, N. D.

2018-04-01

The paper is focused on the sensitivity analysis of behaviour of the subsoil – foundation system as regards the variant properties of fibre-concrete slab resulting into different relative stiffness of the whole cooperating system. The character of slab and its properties are very important for the character of external load transfer, but the character of subsoil cannot be neglected either because it determines the stress-strain behaviour of the all system and consequently the bearing capacity of structure. The sensitivity analysis was carried out based on experimental results, which include both the stress values in soil below the foundation structure and settlements of structure, characterized by different quantity of fibres in it. Flat dynamometers GEOKON were used for the stress measurements below the observed slab, the strains inside slab were registered by tensometers, the settlements were monitored geodetically. The paper is focused on the comparison of soil stresses below the slab for different quantity of fibres in structure. The results obtained from the experimental stand can contribute to more objective knowledge of soil – slab interaction, to the evaluation of real carrying capacity of the slab, to the calibration of corresponding numerical models, to the optimization of quantity of fibres in the slab, and finally, to higher safety and more economical design of slab.

The research on delayed fracture behavior of high-strength bolts in steel structure

NASA Astrophysics Data System (ADS)

Li, Guo dong; Li, Nan

2017-07-01

High-strength bolts have been widely used in power plants. However, the high-strength bolts which being employed in pumping station, steel structure and pipeline anti-whip structure have been found delayed fracture for many times in a power plant, this will affect the reliability of steel fracture and bring blow risk caused by falling objects. The high-strength bolt with delayed fracture was carried out fracture analysis, metallurgical analysis, chemical analysis, mechanical analysis, as well as bolts installation analysis, it can be comprehensively confirmed that the direct cause of high-strength bolts delayed fracture is the stress corrosion, and the root cause of high-strength bolts delayed fracture should be the improper installation at the initial and the imperfect routine anti-corrosion maintenance.

Structural, vibrational, electronic investigations and quantum chemical studies of 2-amino-4-methoxybenzothiazole

NASA Astrophysics Data System (ADS)

Arjunan, V.; Raj, Arushma; Santhanam, R.; Marchewka, M. K.; Mohan, S.

2013-02-01

Extensive vibrational investigations of 2-amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. 1H and 13C NMR chemical shifts and the electronic transitions of the molecule are also discussed.

Development of a Drilling Fluid Drive Downhole Tractor in Oil Field

NASA Astrophysics Data System (ADS)

Fang, Delei; Shang, Jianzhong; Liu, Yiying; Wu, Wei; Luo, Zirong

2018-01-01

This paper proposes a drilling fluid drive downhole tractor, which has the advantages of compact structure, large traction, fast speed and high reliability. The overall mechanical structure of the tractor is introduced, the concrete structures including supporting structure and cushion mechanism are designed. And its all-hydraulic drive continuous propulsion principle is analyzed. Finally the simulation analysis of the tractor operation is carried out to prove that the traction motion scheme is feasible.

Facile synthesis of silicon nanowire-nanopillar superhydrophobic structures

NASA Astrophysics Data System (ADS)

Roy, Abhijit; Satpati, Biswarup

2018-04-01

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

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

NASA Astrophysics Data System (ADS)

Shrivastava, Sachin; Mohite, P. M.

2015-01-01

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

Design of hat-stiffened composite panels loaded in axial compression

NASA Astrophysics Data System (ADS)

Paul, T. K.; Sinha, P. K.

An integrated step-by-step analysis procedure for the design of axially compressed stiffened composite panels is outlined. The analysis makes use of the effective width concept. A computer code, BUSTCOP, is developed incorporating various aspects of buckling such as skin buckling, stiffener crippling and column buckling. Other salient features of the computer code include capabilities for generation of data based on micromechanics theories and hygrothermal analysis, and for prediction of strength failure. Parametric studies carried out on a hat-stiffened structural element indicate that, for all practical purposes, composite panels exhibit higher structural efficiency. Some hybrid laminates with outer layers made of aluminum alloy also show great promise for flight vehicle structural applications.

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

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

Pedagogical Beliefs, Activity Choice and Structure, and Adult-Child Interaction in Nursery Classrooms

ERIC Educational Resources Information Center

Blay, Josepha A.; Ireson, Judith

2009-01-01

A qualitative analysis of four cooking activities undertaken in two nursery classes reveals relationships between the adults' pedagogical beliefs, the choice and structuring of activities, and the nature of adult-child participation. Four adults each planned and carried out separately, one cooking activity of their choice with a small group of…

Finite Element Analysis of New Crankshaft Automatic Adjustment Mechanism of Pumping Unit

NASA Astrophysics Data System (ADS)

Wu, Jufei; Wang, Qian

2017-12-01

In this paper, the crankshaft automatic adjustment mechanism designed on CYJY10-4.2-53HF pumping unit is used as the research object. The simulation of the friction and bending moment of the crank is carried out by ANSYS Workbench, and the finite element simulation results are compared with the theoretical calculation results to verify the theoretical calculation. The final result is that the finite element analysis of the friction of the crank is basically consistent with the theoretical calculation; The analysis and calculation of the stress and deformation about the two kinds of ultimate conditions of the guide platform are carried out too; The dynamic state analysis of the mechanism is carried out to obtain the vibration modes and natural frequencies of the vibration of the different parts of the counterweight under the condition of no preload force so that the frequency of the array can avoid the natural frequency, and can effectively avoid the resonance phenomenon, and for different modes we can improve the stiffness of the structure.

Design and Performance Analysis of a new Rotary Hydraulic Joint

NASA Astrophysics Data System (ADS)

Feng, Yong; Yang, Junhong; Shang, Jianzhong; Wang, Zhuo; Fang, Delei

2017-07-01

To improve the driving torque of the robots joint, a wobble plate hydraulic joint is proposed, and the structure and working principle are described. Then mathematical models of kinematics and dynamics was established. On the basis of this, dynamic simulation and characteristic analysis are carried out. Results show that the motion curve of the joint is continuous and the impact is small. Moreover the output torque of the joint characterized by simple structure and easy processing is large and can be rotated continuously.

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

PubMed

Mohana, Krishnamoorthy; Achary, Anant

2017-08-01

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

High-resolution NMR study of light and heavy crude oils: “structure-property” analysis

NASA Astrophysics Data System (ADS)

Rakhmatullin, I.; Efimov, S.; Varfolomeev, M.; Klochkov, V.

2018-05-01

Measurements of three light and one heavy crude oil samples were carried out by high-resolution nuclear magnetic resonance (NMR) spectroscopy methods. Quantitative fractions of aromatic molecules and functional groups constituting oil hydrocarbons were determined, and comparative analysis of the oil samples of different viscosity and origin was done.

Functionalization of SBA-15 mesoporous silica by Cu-phosphonate units: Probing of synthesis route

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

Laskowski, Lukasz, E-mail: lukasz.laskowski@kik.pcz.pl; Czestochowa University of Technology, Institute of Physics, Al. Armii Krajowej 19, 42-201 Czestochowa; Laskowska, Magdalena, E-mail: magdalena.laskowska@onet.pl

2014-12-15

Mesoporous silica SBA-15 containing propyl-copper phosphonate units was investigated. The structure of mesoporous samples was tested by N{sub 2} isothermal sorption (BET and BHJ analysis), TEM microscopy and X-Ray scattering. Quantitative analysis EDX has given information about proportions between component atoms in the sample. Quantitative elemental analysis has been carried out to support EDX. To examine bounding between copper atoms and phosphonic units the Raman spectroscopy was carried out. As a support of Raman scattering, the theoretical calculations were made based on density functional theory, with the B3LYP method. By comparison of the calculated vibrational spectra of the molecule withmore » experimental results, distribution of the active units inside silica matrix has been determined. - Graphical abstract: The present study is devoted to mesoporous silica SBA-15 containing propyl-copper phosphonate units. The species were investigated to confirm of synthesis procedure correctness by the micro-Raman technique combined with DFT numerical simulations. Complementary research was carried out to test the structure of mesoporous samples. - Highlights: • SBA-15 silica functionalized with propyl-copper phosphonate units was synthesized. • Synthesis efficiency probed by Raman study supported with DFT simulations. • Homogenous distribution of active units was proved. • Synthesis route enables precise control of distance between copper ions.« less

FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: Vigabatrin

NASA Astrophysics Data System (ADS)

Edwin, Bismi; Joe, I. Hubert

2013-10-01

Vibrational analysis of anti-epileptic drug vigabatrin, a structural GABA analog was carried out using NIR FT-Raman and FTIR spectroscopic techniques. The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers were studied using density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA.4 program. Vibrational spectra, natural bond orbital analysis and optimized molecular structure show clear evidence for the effect of electron charge transfer on the activity of the molecule. Predicted electronic absorption spectrum from TD-DFT calculation has been compared with the UV-vis spectrum. The Mulliken population analysis on atomic charges and the HOMO-LUMO energy were also calculated. Good consistency is found between the calculated results and experimental data for the electronic absorption as well as IR and Raman spectra. The blue-shifting of the Csbnd C stretching wavenumber reveals that the vinyl group is actively involved in the conjugation path. The NBO analysis confirms the occurrence of intramolecular hyperconjugative interactions resulting in ICT causing stabilization of the system.

Stochastic subspace identification for operational modal analysis of an arch bridge

NASA Astrophysics Data System (ADS)

Loh, Chin-Hsiung; Chen, Ming-Che; Chao, Shu-Hsien

2012-04-01

In this paer the application of output-only system identification technique, known as Stochastic Subspace Identification (SSI) algorithms, for civil infrastructures is carried out. The ability of covariance driven stochastic subspace identification (SSI-COV) was proved through the analysis of the ambient data of an arch bridge under operational condition. A newly developed signal processing technique, Singular Spectrum analysis (SSA), capable to smooth noisy signals, is adopted for pre-processing the recorded data before the SSI. The conjunction of SSA and SSICOV provides a useful criterion for the system order determination. With the aim of estimating accurate modal parameters of the structure in off-line analysis, a stabilization diagram is constructed by plotting the identified poles of the system with increasing the size of data Hankel matrix. Identification task of a real structure, Guandu Bridge, is carried out to identify the system natural frequencies and mode shapes. The uncertainty of the identified model parameters from output-only measurement of the bridge under operation condition, such as temperature and traffic loading conditions, is discussed.

Aeroelastic Analysis Of Joined Wing Of High Altitude Long Endurance (HALE) Aircraft Based On The Sensor-Craft Configuration

NASA Astrophysics Data System (ADS)

Marisarla, Soujanya; Ghia, Urmila; "Karman" Ghia, Kirti

2002-11-01

Towards a comprehensive aeroelastic analysis of a joined wing, fluid dynamics and structural analyses are initially performed separately. Steady flow calculations are currently performed using 3-D compressible Navier-Stokes equations. Flow analysis of M6-Onera wing served to validate the software for the fluid dynamics analysis. The complex flow field of the joined wing is analyzed and the prevailing fluid dynamic forces are computed using COBALT software. Currently, these forces are being transferred as fluid loads on the structure. For the structural analysis, several test cases were run considering the wing as a cantilever beam; these served as validation cases. A nonlinear structural analysis of the wing is being performed using ANSYS software to predict the deflections and stresses on the joined wing. Issues related to modeling, and selecting appropriate mesh for the structure were addressed by first performing a linear analysis. The frequencies and mode shapes of the deformed wing are obtained from modal analysis. Both static and dynamic analyses are carried out, and the results obtained are carefully analyzed. Loose coupling between the fluid and structural analyses is currently being examined.

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

NASA Astrophysics Data System (ADS)

Durlak, Piotr; Berski, Sławomir; Latajka, Zdzisław

2016-01-01

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

Analysis of vibration characteristics of opening device for deepwater robot cabin door and study of its structural optimization design

NASA Astrophysics Data System (ADS)

Zeng, Baoping; Liu, Jipeng; Zhang, Yu; Gong, Yajun; Hu, Sanbao

2017-12-01

Deepwater robots are important devices for human to explore the sea, which is being under development towards intellectualization, multitasking, long-endurance and large depth along with the development of science and technology. As far as a deep-water robot is concerned, its mechanical systems is an important subsystem because not only it influences the instrument measuring precision and shorten the service life of cabin devices but also its overlarge vibration and noise lead to disadvantageous effects to marine life within the operational area. Therefore, vibration characteristics shall be key factor for the deep-water robot system design. The sample collection and recycling system of some certain deepwater robot in a mechanism for opening the underwater cabin door for external operation and recycling test equipment is focused in this study. For improving vibration characteristics of locations of the cabin door during opening processes, a vibration model was established to the opening system; and the structural optimization design was carried out to its important structures by utilizing the multi-objective shape optimization and topology optimization method based on analysis of the system vibration. Analysis of characteristics of exciting forces causing vibration was first carried out, which include characteristics of dynamic loads within the hinge clearances and due to friction effects and the fluid dynamic exciting forces during processes of opening the cabin door. Moreover, vibration acceleration responses for a few important locations of the devices for opening the cabin cover were deduced by utilizing the modal synthesis method so that its rigidity and modal frequency may be one primary factor influencing the system vibration performances based on analysis of weighted acceleration responses. Thus, optimization design was carried out to the cabin cover by utilizing the multi-objective topology optimization method to perform reduction of weighted accelerations of key structure locations.

Structural Analysis Of CD59 Of Chinese Tree Shrew: A New Reference Molecule For Human Immune System Specific CD59 Drug Discovery.

PubMed

Panda, Subhamay; Kumari, Leena; Panda, Santamay

2017-11-17

Chinese tree shrews (Tupaia belangeri chinensis) bear several characteristics that are considered to be very crucial for utilizing in animal experimental models in biomedical research. Subsequent to the identification of key aspects and signaling pathways in nervous and immune systems, it is revealed that tree shrews acquires shared common as well as unique characteristics, and hence offers a genetic basis for employing this animal as a prospective model for biomedical research. CD59 glycoprotein, commonly referred to as MAC-inhibitory protein (MAC-IP), membrane inhibitor of reactive lysis (MIRL), or protectin, is encoded by the CD59 gene in human beings. It is the member of the LY6/uPAR/alpha-neurotoxin protein family. With this initial point the objective of this study was to determine a comparative composite based structure of CD59 of Chinese tree shrew. The additional objective of this study was to examine the distribution of negatively and positively charged amino acid over molecular modeled structure, distribution of secondary structural elements, hydrophobicity molecular surface analysis and electrostatic potential analysis with the assistance of several bioinformatical analytical tools. CD59 Amino acid sequence of Chinese tree shrew collected from the online database system of National Centre for Biotechnology Information. SignalP 4.0 online server was employed for detection of signal peptide instance within the protein sequence of CD59. Molecular model structure of CD59 protein was generated by the Iterative Threading ASSEmbly Refinement (I-TASSER) suite. The confirmation for three-dimensional structural model was evaluated by structure validation tools. Location of negatively and positively charged amino acid over molecular modeled structure, distribution of secondary structural elements, and hydrophobicity molecular surface analysis was performed with the help of Chimera tool. Electrostatic potential analysis was carried out with the adaptive Poisson-Boltzmann solver package. Subsequently validated model was used for the functionally critical amino acids and active site prediction. The functionally critical amino acids and ligand- binding site (LBS) of the proteins (modeled) was determined using the COACH program. Analysis of Ramachandran plot for Chinese tree shrew depicted that overall, 100% of the residues in homology model were observed in allowed and favored regions, sequentially leading to the validation of the standard of generated protein structural model. In case of CD59 of Chinese tree shrew, the total score of G-factor was found to be -0.66 that was generally larger than the acceptable value. This approach suggests the significance and acceptability of the modeled structure of CD59 of Chinese tree shrew. The molecular model data in cooperation to other relevant post model analysis data put forward molecular insight to protecting activity of CD59 protein molecule of Chinese tree shrew. In the present study, we have proposed the first molecular model structure of uncharted CD59 of Chinese tree shrew by significantly utilizing the comparative composite modeling approach. Therefore, the development of a structural model of the CD59 protein was carried out and analyzed further for deducing molecular enrichment technique. The collaborative effort of molecular model and other relevant data of post model analysis carry forward molecular understanding to protecting activity of CD59 functions towards better insight of features of this natural lead compound. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

The effect of high energy concentration source irradiation on structure and properties of Fe-based bulk metallic glass

NASA Astrophysics Data System (ADS)

Pilarczyk, Wirginia

2016-06-01

Metallic glasses exhibit metastable structure and maintain this relatively stable amorphous state within certain temperature range. High intensity laser beam was used for the surface irradiation of Fe-Co-B-Si-Nb bulk metallic glasses. The variable parameter was laser beam pulse energy. For the analysis of structure and properties of bulk metallic glasses and their surface after laser remelting the X-ray analysis, microscopic observation and test of mechanical properties were carried out. Examination of the nanostructure of amorphous materials obtained by high pressure copper mold casting method and the irradiated with the use of TITAN 80-300 HRTEM was carried out. Nanohardness and reduced Young's modulus of particular amorphous and amorphous-crystalline material zone of the laser beam were examined with the use of Hysitron TI950 Triboindenter nanoindenter and with the use of Berkovich's indenter. The XRD and microscopic analysis showed that the test material is amorphous in its structure before irradiation. Microstructure observation with electron transmission microscopy gave information about alloy crystallization in the irradiated process. Identification of given crystal phases allows to determine the kind of crystal phases created in the first place and also further changes of phase composition of alloy. The main value of the nanohardness of the surface prepared by laser beam has the order of magnitude similar to bulk metallic glasses formed by casting process irrespective of the laser beam energy used. Research results analysis showed that the area between parent material and fusion zone is characterized by extraordinarily interesting structure which is and will be the subject of further analysis in the scope of bulk metallic glasses amorphous structure and high energy concentration source. The main goal of this work is the results' presentation of structure and chosen properties of the selected bulk metallic glasses after casting process and after irradiation process employing the high energy concentration sources.

Combined seismic plus live-load analysis of highway bridges.

DOT National Transportation Integrated Search

2011-10-01

"The combination of seismic and vehicle live loadings on bridges is an important design consideration. There are well-established design : provisions for how the individual loadings affect bridge response: structural components that carry vertical li...

Crystal structure and electronic properties of a thiolate-protected Au24 nanocluster

NASA Astrophysics Data System (ADS)

Das, Anindita; Li, Tao; Li, Gao; Nobusada, Katsuyuki; Zeng, Chenjie; Rosi, Nathaniel L.; Jin, Rongchao

2014-05-01

Solving the total structures of gold nanoclusters is of critical importance for understanding their electronic, optical and catalytic properties. Herein, we report the X-ray structure of a charge-neutral Au24(SCH2Ph-tBu)20 nanocluster. This structure features a bi-tetrahedral Au8 kernel protected by four tetrameric staple-like motifs. Electronic structure analysis is further carried out and the optical absorption spectrum is interpreted. The Au24(SCH2Ph-tBu)20, Au23(S-c-C6H11)16 and Au25(SCH2CH2Ph)18 nanoclusters constitute the first crystallographically characterized ``trio''.Solving the total structures of gold nanoclusters is of critical importance for understanding their electronic, optical and catalytic properties. Herein, we report the X-ray structure of a charge-neutral Au24(SCH2Ph-tBu)20 nanocluster. This structure features a bi-tetrahedral Au8 kernel protected by four tetrameric staple-like motifs. Electronic structure analysis is further carried out and the optical absorption spectrum is interpreted. The Au24(SCH2Ph-tBu)20, Au23(S-c-C6H11)16 and Au25(SCH2CH2Ph)18 nanoclusters constitute the first crystallographically characterized ``trio''. Electronic supplementary information (ESI) available: Experimental and supporting Fig. S1-S3. CCDC NUMBER(1000102). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4nr01350f

Physical properties of agave cellulose graft polymethyl methacrylate

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

Rosli, Noor Afizah; Ahmad, Ishak; Abdullah, Ibrahim

2013-11-27

The grafting polymerization of methyl methacrylate and Agave cellulose was prepared and their structural analysis and morphology were investigated. The grafting reaction was carried out in an aqueous medium using ceric ammonium nitrate as an initiator. The structural analysis of the graft copolymers was carried out by Fourier transform infrared and X-ray diffraction. The graft copolymers were also characterized by field emission scanning electron microscopy (FESEM). An additional peak at 1732 cm{sup −1} which was attributed to the C=O of ester stretching vibration of poly(methyl methacrylate), appeared in the spectrum of grafted Agave cellulose. A slight decrease of crystallinity indexmore » upon grafting was found from 0.74 to 0.68 for cellulose and grafted Agave cellulose, respectively. Another evidence of grafting showed in the FESEM observation, where the surface of the grafted cellulose was found to be roughed than the raw one.« less

Combined use of computational chemistry and chemoinformatics methods for chemical discovery

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

Sugimoto, Manabu, E-mail: sugimoto@kumamoto-u.ac.jp; Institute for Molecular Science, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585; CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012

2015-12-31

Data analysis on numerical data by the computational chemistry calculations is carried out to obtain knowledge information of molecules. A molecular database is developed to systematically store chemical, electronic-structure, and knowledge-based information. The database is used to find molecules related to a keyword of “cancer”. Then the electronic-structure calculations are performed to quantitatively evaluate quantum chemical similarity of the molecules. Among the 377 compounds registered in the database, 24 molecules are found to be “cancer”-related. This set of molecules includes both carcinogens and anticancer drugs. The quantum chemical similarity analysis, which is carried out by using numerical results of themore » density-functional theory calculations, shows that, when some energy spectra are referred to, carcinogens are reasonably distinguished from the anticancer drugs. Therefore these spectral properties are considered of as important measures for classification.« less

Integrated Composite Analyzer (ICAN): Users and programmers manual

NASA Technical Reports Server (NTRS)

Murthy, P. L. N.; Chamis, C. C.

1986-01-01

The use of and relevant equations programmed in a computer code designed to carry out a comprehensive linear analysis of multilayered fiber composites is described. The analysis contains the essential features required to effectively design structural components made from fiber composites. The inputs to the code are constituent material properties, factors reflecting the fabrication process, and composite geometry. The code performs micromechanics, macromechanics, and laminate analysis, including the hygrothermal response of fiber composites. The code outputs are the various ply and composite properties, composite structural response, and composite stress analysis results with details on failure. The code is in Fortran IV and can be used efficiently as a package in complex structural analysis programs. The input-output format is described extensively through the use of a sample problem. The program listing is also included. The code manual consists of two parts.

Dynamic Analysis of Heavy Vehicle Medium Duty Drive Shaft Using Conventional and Composite Material

NASA Astrophysics Data System (ADS)

Kumar, Ashwani; Jain, Rajat; Patil, Pravin P.

2016-09-01

The main highlight of this study is structural and modal analysis of single piece drive shaft for selection of material. Drive shaft is used for torque carrying from vehicle transmission to rear wheel differential system. Heavy vehicle medium duty transmission drive shaft was selected as research object. Conventional materials (Steel SM45 C, Stainless Steel) and composite materials (HS carbon epoxy, E Glass Polyester Resin Composite) were selected for the analysis. Single piece composite material drive shaft has advantage over conventional two-piece steel drive shaft. It has higher specific strength, longer life, less weight, high critical speed and higher torque carrying capacity. The main criteria for drive shaft failure are strength and weight. Maximum modal frequency obtained is 919 Hz. Various harmful vibration modes (lateral vibration and torsional vibration) were identified and maximum deflection region was specified. For single-piece drive shaft the natural bending frequency should be higher because it is subjected to torsion and shear stress. Single piece drive shaft was modelled using Solid Edge and Pro-E. Finite Element Analysis was used for structural and modal analysis with actual running boundary condition like frictional support, torque and moment. FEA simulation results were validated with experimental literature results.

Computer modeling and simulation analysis of bearing capacity after reinforcement of underground frame structure

NASA Astrophysics Data System (ADS)

Dai, Yan

2018-04-01

With the increasing development of urban scale, the application of the underground frame structure is becoming more and more extensive. But because of the unreasonable setup, it hinders public transportation. Therefore, it is an effective solution to reinforce the underground frame structure and make it bear the traffic load. The simulation calculation of the reinforced underground frame structure is carried out in this paper. The conclusion is obtained that the structure satisfies the load of vehicle and the load of the crowd.

A portable structural analysis library for reaction networks.

PubMed

Bedaso, Yosef; Bergmann, Frank T; Choi, Kiri; Medley, Kyle; Sauro, Herbert M

2018-07-01

The topology of a reaction network can have a significant influence on the network's dynamical properties. Such influences can include constraints on network flows and concentration changes or more insidiously result in the emergence of feedback loops. These effects are due entirely to mass constraints imposed by the network configuration and are important considerations before any dynamical analysis is made. Most established simulation software tools usually carry out some kind of structural analysis of a network before any attempt is made at dynamic simulation. In this paper, we describe a portable software library, libStructural, that can carry out a variety of popular structural analyses that includes conservation analysis, flux dependency analysis and enumerating elementary modes. The library employs robust algorithms that allow it to be used on large networks with more than a two thousand nodes. The library accepts either a raw or fully labeled stoichiometry matrix or models written in SBML format. The software is written in standard C/C++ and comes with extensive on-line documentation and a test suite. The software is available for Windows, Mac OS X, and can be compiled easily on any Linux operating system. A language binding for Python is also available through the pip package manager making it simple to install on any standard Python distribution. The bulk of the source code is licensed under the open source BSD license with other parts using as either the MIT license or more simply public domain. All source is available on GitHub (https://github.com/sys-bio/Libstructural). Copyright © 2018 Elsevier B.V. All rights reserved.

Crystal structure and theoretical studies of derivative of imidazo-1,2,4-triazine

NASA Astrophysics Data System (ADS)

Dybała, Izabela; Sztanke, Krzysztof

2016-09-01

In this study, we present the result of X-ray structure analysis of methyl [8-(3-chlorophenyl)-4-oxo-2,3,4,6,7,8-heksahydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate (1). The molecule conformation is flat, with a chlorophenyl substituent and the ester moiety lying in the plain of the heterobicyclic scaffold. Its conformation is stabilized by an intramolecular Nsbnd H…O hydrogen bond. Within the crystalline structure of 1, molecules associate with one another by weak Csbnd H…O, Csbnd H…Cl and Csbnd H…π bonds. The molecular and crystal structure of 1 was compared with the previously described structurally similar compound possessing the same bicyclic rigid core and similar chemical nature of the functional ester moiety. Very interesting differences in molecules geometry and association were observed. Non-covalent bonds within the crystals are additionally visualized by determination of Hirshfeld surfaces. Moreover, the quantum chemical calculation for 1 in the gas phase were carried out. The DFT calculation methods was used to optimize of molecule geometry and obtain molecular energy profiles with respect to selected torsion angles. The quantum chemical conformational analysis that was carried out for compound 1 in the gas phase suggests that in the solid state the molecules adopt the minimum energy conformation.

Synthesis, spectroscopic characterization, DFT studies and antifungal activity of (E)-4-amino-5-[N'-(2-nitro-benzylidene)-hydrazino]-2,4-dihydro-[1,2,4]triazole-3-thione

NASA Astrophysics Data System (ADS)

Joshi, Rachana; Pandey, Nidhi; Yadav, Swatantra Kumar; Tilak, Ragini; Mishra, Hirdyesh; Pokharia, Sandeep

2018-07-01

The hydrazino Schiff base (E)-4-amino-5-[N'-(2-nitro-benzylidene)-hydrazino]-2,4-dihydro-[1,2,4]triazole-3-thione was synthesized and structurally characterized by elemental analysis, FT-IR, Raman, 1H and 13C-NMR and UV-Vis studies. A density functional theory (DFT) based electronic structure calculations were accomplished at B3LYP/6-311++G(d,p) level of theory. A comparative analysis of calculated vibrational frequencies with experimental vibrational frequencies was carried out and significant bands were assigned. The results indicate a good correlation (R2 = 0.9974) between experimental and theoretical IR frequencies. The experimental 1H and 13C-NMR resonance signals were also compared to the calculated values. The theoretical UV-Vis spectral studies were carried out using time dependent-DFT method in gas phase and IEFPCM model in solvent field calculation. The geometrical parameters were calculated in the gas phase. Atomic charges at selected atoms were calculated by Mulliken population analysis (MPA), Hirshfeld population analysis (HPA) and Natural population analysis (NPA) schemes. The molecular electrostatic potential (MEP) map was calculated to assign reactive site on the surface of the molecule. The conceptual-DFT based global and local reactivity descriptors were calculated to obtain an insight into the reactivity behaviour. The frontier molecular orbital analysis was carried out to study the charge transfer within the molecule. The detailed natural bond orbital (NBO) analysis was performed to obtain an insight into the intramolecular conjugative electronic interactions. The titled compound was screened for in vitro antifungal activity against four fungal strains and the results obtained are explained through in silico molecular docking studies.

Pseudo-beam method for compressive buckling characteristics analysis of space inflatable load-carrying structures

NASA Astrophysics Data System (ADS)

Wang, Changguo; Tan, Huifeng; Du, Xingwen

2009-10-01

This paper extends Le van’s work to the case of nonlinear problem and the complicated configuration. The wrinkling stress distribution and the pressure effects are also included in our analysis. Pseudo-beam method is presented based on the inflatable beam theory to model the inflatable structures as a set of inflatable beam elements with a pre-stressed state. In this method, the discretized nonlinear equations are given based upon the virtual work principle with a 3-node Timoshenko’s beam model. Finite element simulation is performed by using a 3-node BEAM189 element incorporating ANSYS nonlinear program. The pressure effect is equivalent included in our method by modifying beam element cross-section parameters related to pressure. A benchmark example, the bending case of an inflatable cantilever beam, is performed to verify the accuracy of our proposed method. The comparisons reveal that the numerical results obtained with our method are close to open published analytical and membrane finite element results. The method is then used to evaluate the whole buckling and the load-carrying characteristics of an inflatable support frame subjected to a compression force. The wrinkling stress and region characteristics are also shown in the end. This method gives better convergence characteristics, and requires much less computation time. It is very effective to deal with the whole load-carrying ability analytical problems for large scale inflatable structures with complex configuration.

Immunohistochemical Analysis of the Structure of Injured Peripheral Nerve Neuroma after Electrosurgical Welding Intervention.

PubMed

Korsak, A V; Chaikovskii, Yu B

2015-10-01

Immunohistochemical analysis of changes in neuroma after surgical treatment of damaged peripheral nerve with the use of high frequency electrosurgical device for high frequency current welding of soft tissues was carried out. No adverse effects of this technology and the bipolar instrument on degeneration and regeneration of damaged nerve stem were detected.

Structural dynamic analysis of turbine blade

NASA Astrophysics Data System (ADS)

Antony, A. Daniel; Gopalsamy, M.; Viswanadh, Chaparala B. V.; Krishnaraj, R.

2017-10-01

In any gas turbine design cycle, blade design is a crucial element which needs maximum attention to meet the aerodynamic performance, structural safety margins, manufacturing feasibility, material availability etc. In present day gas turbine engines, most of the failures occur during engine development test and in-service, in rotor and stator blades due to fatigue and resonance failures. To address this issue, an extensive structural dynamic analysis is carried out to predict the natural frequencies and mode shapes using FE methods. Using the dynamics characteristics, the Campbell diagram is constructed to study the possibility of resonance at various operating speeds. In this work, the feasibility of using composite material in place of titanium alloy from the structural dynamics point of view. This is being attempted in a Low-pressure compressor where the temperatures are relatively low and fixed with the casings. The analysis will be carried out using FE method for different composite material with different lamina orientations chosen through the survey. This study will focus on the sensitivity of blade mode shapes to different laminae orientations, which will be used to alter the natural frequency and tailor the mode shapes. Campbell diagrams of existing titanium alloy are compared with the composite materials with different laminae at all critical operating conditions. The existing manufacturing methods and the proven techniques for blade profiles will also be discussed in this report.

Study on Design of High Efficiency and Light Weight Composite Propeller Blade for a Regional Turboprop Aircraft

NASA Astrophysics Data System (ADS)

Kong, Changduk; Lee, Kyungsun

2013-03-01

In this study, aerodynamic and structural design of the composite propeller blade for a regional turboprop aircraft is performed. The thin and wide chord propeller blade of high speed turboprop aircraft should have proper strength and stiffness to carry various kinds of loads such as high aerodynamic bending and twisting moments and centrifugal forces. Therefore the skin-spar-foam sandwich structure using high strength and stiffness carbon/epoxy composite materials is used to improve the lightness. A specific design procedure is proposed in this work as follows; firstly the aerodynamic configuration design, which is acceptable for the design requirements, is carried out using the in-house code developed by authors, secondly the structure design loads are determined through the aerodynamic load case analysis, thirdly the spar flange and the skin are preliminarily sized by consideration of major bending moments and shear forces using both the netting rule and the rule of mixture, and finally, the stress analysis is performed to confirm the structural safety and stability using finite element analysis commercial code, MSC. NASTRAN/PATRAN. Furthermore the additional analysis is performed to confirm the structural safety due to bird strike impact on the blade during flight operation using a commercial code, ANSYS. To realize the proposed propeller design, the prototype blades are manufactured by the following procedure; the carbon/epoxy composite fabric prepregs are laid up for skin and spar on a mold using the hand lay-up method and consolidated with a proper temperature and vacuum in the oven. To finalize the structural design, the full-scale static structural test is performed under the simulated aerodynamic loads using 3 point loading method. From the experimental results, it is found that the designed blade has a good structural integrity, and the measured results agree well with the analytical results as well.

Earthquake Response of Reinforced Concrete Building Retrofitted with Geopolymer Concrete and X-shaped Metallic Damper

NASA Astrophysics Data System (ADS)

Madheswaran, C. K.; Prakash vel, J.; Sathishkumar, K.; Rao, G. V. Rama

2017-06-01

A three-storey half scale reinforced concrete (RC) building is fixed with X-shaped metallic damper at the ground floor level, is designed and fabricated to study its seismic response characteristics. Experimental studies are carried out using the (4 m × 4 m) tri-axial shake-table facility to evaluate the seismic response of a retrofitted RC building with open ground storey (OGS) structure using yielding type X-shaped metallic dampers (also called as Added Damping and Stiffness-ADAS elements) and repairing the damaged ground storey columns using geopolymer concrete composites. This elasto-plastic device is normally incorporated within the frame structure between adjacent floors through chevron bracing, so that they efficiently enhance the overall energy dissipation ability of the seismically deficient frame structure under earthquake loading. Free vibration tests on RC building without and with yielding type X-shaped metallic damper is carried out. The natural frequencies and mode shapes of RC building without and with yielding type X-shaped metallic damper are determined. The retrofitted reinforced concrete building is subjected to earthquake excitations and the response from the structure is recorded. This work discusses the preparation of test specimen, experimental set-up, instrumentation, method of testing of RC building and the response of the structure. The metallic damper reduces the time period of the structure and displacement demands on the OGS columns of the structure. Nonlinear time history analysis is performed using structural analysis package, SAP2000.

Proposed Assessment of Dynamic Resistance of the Existing Industrial Portal Frame Building Structures to the Impact of Mining Tremors

NASA Astrophysics Data System (ADS)

Rusek, Janusz; Kocot, Wojciech

2017-10-01

The article presents the method for assessing dynamic resistance of the existing industrial portal frame building structures subjected to mining tremors. The study was performed on two industrial halls of a reinforced concrete structure and a steel structure. In order to determine the dynamic resistances of these objects, static and dynamic numerical analysis in the FEA environment was carried out. The scope of numerical calculations was adapted to the guidelines contained in the former and current design standards. This allowed to formulate the criteria, on the basis of which the maximum permissible value of the horizontal ground acceleration was obtained, constituting resistance of the analyzed objects. The permissible range of structural behaviour was determined by comparing the effects of load combinations adopted at the design stage with a seismic combination recognized in Eurocode 8. The response spectrum method was used in the field of dynamic analysis, taking into account the guidelines contained in Eurocode 8 and the guidelines of National. Finally, in accordance with the established procedure, calculations were carried out and the results for the two model portal frame buildings of reinforced concrete and steel structures were presented. The results allowed for the comparison of the dynamic resistance of two different types of material and design, and a sensitivity analysis with respect to their constituent bearing elements. The conclusions drawn from these analyses helped to formulate the thesis for the next stage of the research, in which it is expected to analyze a greater number of objects using a parametric approach, in relation to the geometry and material properties.

Study of cobalt effect on structural and optical properties of Dy doped ZnO nanoparticles

NASA Astrophysics Data System (ADS)

Kumar, Pawan; Pandey, Praveen C.

2018-05-01

The present study has been carried out to investigate the effect of Co doping on structural and optical properties of Dy doped ZnO nanoparticles. We have prepared pure Zinc oxide, Dy (1%) doped ZnO and Dy (1%) doped ZnO co-doped with Co(2%) with the help of simple sol-gel combustion method. The structural analysis carried out using X-ray diffraction spectra (XRD) indicates substitution of Dy and Co at Zn site of ZnO crystal structure and hexagonal crystal structure without any secondary phase formation in all the samples. The surface morphology was analyzed by transmission electron microscopy (TEM). Absorption study indicates that Dy doping causes a small shift in band edge, while Co co-doping results significant change is absorption edge as well as introduce defect level absorption in the visible region. The band gap of samples decreases due to Dy and Co doping, which can be attributed to defect level formation below the conduction band in the system.

Assessment of Technogenic Accident Risk of Industrial Building Structures

NASA Astrophysics Data System (ADS)

Baiburin, D. A.; Baiburin, A. Kh

2017-11-01

A methodology for assessing the risk of an industrial building accident was developed taking into account the damage caused by various localization of collapse. Before the beginning of the survey of a facility technical condition, groups including the same type of building structures are selected. Further, assessment is made for the reduction in their load-carrying capacity from the strength and stability conditions taking into account defects. The characteristics of the influence of defects and structural damage on a building safety is the degree of compliance with the standards expressed by the reliability level. Reliability levels assignment is carried out on the basis of calculations, operating experience and inspection of a particular type of structure according to the formalized rules. The risk of collapse according to a separate scenario is calculated for structures that are capable and incapable of causing a progressive ossification. The results of the technique application are based on the analysis of the accident risk at the welding shop “Vysota (Height) 239” of the Chelyabinsk Pipe Rolling Plant.

Growth and characterization of new nonlinear optical 1-phenyl-3-(4-dimethylamino phenyl) prop-2-en-1-one (PDAC) single crystals

NASA Astrophysics Data System (ADS)

Ravindraswami, K.; Janardhana, K.; Gowda, Jayaprakash; Moolya, B. Narayana

2018-04-01

Non linear optical 1-phenyl-3-(4-dimethylamino phenyl) prop-2-en-1-one (PDAC) was synthesized using Claisen - Schmidt condensation method and studied for optical nonlinearity with an emphasis on structure-property relationship. The structural confirmation studies were carried out using 1H-NMR, FT-IR and single crystal XRD techniques. The nonlinear absorption and nonlinear refraction parameters in z-scan with nano second laser pulses were obtained by measuring the profile of propagated beam through the samples. The real and imaginary parts of third-order bulk susceptibility χ(3) were evaluated. Thermo gravimetric analysis is carried out to investigate the thermal stability.

Solid state linear dichroic infrared spectral analysis of benzimidazoles and their N 1-protonated salts

NASA Astrophysics Data System (ADS)

Ivanova, B. B.

2005-11-01

A stereo structural characterization of 2,5,6-thrimethylbenzimidazole (MBIZ) and 2-amino-benzimidaziole (2-NH 2-BI) and their N 1 protonation salts was carried out using a polarized solid state linear dichroic infrared spectral (IR-LD) analysis in nematic liquid crystal suspension. All experimental predicted structures were compared with the theoretical ones, obtained by ab initio calculations. The Cs to C2v* symmetry transformation as a result of protonation processes, with a view of its reflection on the infrared spectral characteristics was described.

Plasmon analysis and homogenization in plane layered photonic crystals and hyperbolic metamaterials

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

Davidovich, M. V., E-mail: davidovichmv@info.sgu.ru

2016-12-15

Dispersion equations are obtained and analysis and homogenization are carried out in periodic and quasiperiodic plane layered structures consisting of alternating dielectric layers, metal and dielectric layers, as well as graphene sheets and dielectric (SiO{sub 2}) layers. Situations are considered when these structures acquire the properties of hyperbolic metamaterials (HMMs), i.e., materials the real parts of whose effective permittivity tensor have opposite signs. It is shown that the application of solely dielectric layers is more promising in the context of reducing losses.

A new method of differential structural analysis of gamma-family basic parameters

NASA Technical Reports Server (NTRS)

Melkumian, L. G.; Ter-Antonian, S. V.; Smorodin, Y. A.

1985-01-01

The maximum likelihood method is used for the first time to restore parameters of electron photon cascades registered on X-ray films. The method permits one to carry out a structural analysis of the gamma quanta family darkening spots independent of the gamma quanta overlapping degree, and to obtain maximum admissible accuracies in estimating the energies of the gamma quanta composing a family. The parameter estimation accuracy weakly depends on the value of the parameters themselves and exceeds by an order of the values obtained by integral methods.

Spectral studies of 2-pyrazoline derivatives: structural elucidation through single crystal XRD and DFT calculations.

PubMed

Chinnaraja, D; Rajalakshmi, R; Srinivasan, T; Velmurugan, D; Jayabharathi, J

2014-04-24

A series of biologically active N-thiocarbamoyl pyrazoline derivatives have been synthesized using anhydrous potassium carbonate as the catalyst. All the synthesized compounds were characterized by FT-IR, (1)H NMR, (13)C NMR spectral studies, LCMS, CHN Analysis and X-ray diffraction analysis (compound 7). In order to supplement the XRD parameters, molecular modelling was carried out by Gaussian 03W. From the optimized structure, the energy, dipolemoment and HOMO-LUMO energies of all the systems were calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

The Researches on Damage Detection Method for Truss Structures

NASA Astrophysics Data System (ADS)

Wang, Meng Hong; Cao, Xiao Nan

2018-06-01

This paper presents an effective method to detect damage in truss structures. Numerical simulation and experimental analysis were carried out on a damaged truss structure under instantaneous excitation. The ideal excitation point and appropriate hammering method were determined to extract time domain signals under two working conditions. The frequency response function and principal component analysis were used for data processing, and the angle between the frequency response function vectors was selected as a damage index to ascertain the location of a damaged bar in the truss structure. In the numerical simulation, the time domain signal of all nodes was extracted to determine the location of the damaged bar. In the experimental analysis, the time domain signal of a portion of the nodes was extracted on the basis of an optimal sensor placement method based on the node strain energy coefficient. The results of the numerical simulation and experimental analysis showed that the damage detection method based on the frequency response function and principal component analysis could locate the damaged bar accurately.

Structural, vibrational, electronic investigations and quantum chemical studies of 2-amino-4-methoxybenzothiazole.

PubMed

Arjunan, V; Raj, Arushma; Santhanam, R; Marchewka, M K; Mohan, S

2013-02-01

Extensive vibrational investigations of 2-amino-4-methoxybenzothiazole have been carried out with FTIR and FT-Raman spectral techniques. The electronic structure of the molecule has been analysed by UV-Visible and NMR spectroscopies. The DFT studies were carried out with B3LYP and HF methods utilising 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets to determine the structural, thermodynamical, vibrational, electronic characteristics of the compound and also to understand the electronic and steric influence of the methoxy amino groups on the skeletal frequencies. The mixing of the fundamental modes was determined with the help of total energy distribution (TED). The energies of the frontier molecular orbitals have also been determined. The kinetic and thermodynamic stability and chemical hardness of the molecule have been determined. Complete NBO analysis was also carried out to find out the intramolecular electronic interactions and their stabilisation energy. (1)H and (13)C NMR chemical shifts and the electronic transitions of the molecule are also discussed. Copyright © 2012 Elsevier B.V. All rights reserved.

The use of the Wigner Distribution to analyze structural impulse responses

NASA Technical Reports Server (NTRS)

Wahl, T. J.; Bolton, J. S.

1990-01-01

In this paper it is argued that the time-frequency analysis of structural impulse responses may be used to reveal the wave types carrying significant energy through a structure. Since each wave type is characterized by its own dispersion relation, each wave type may be associated with particular features appearing in the time-frequency domain representation of an impulse response. Here the Wigner Distribution is introduced as a means for obtaining appropriate time-frequency representations of impulse responses. Practical aspects of the calculation of the Wigner Distribution are discussed and examples of its application to the analysis of structural impulse responses are given. These examples will show that the Wigner Distribution may be conveniently used to distinguish between the contributions of various waves types to a total structural response.

Conformational analysis, spectroscopic, structure-activity relations and quantum chemical simulation studies of 4-(trifluoromethyl)benzylamine

NASA Astrophysics Data System (ADS)

Arjunan, V.; Devi, L.; Mohan, S.

2018-05-01

The FT-IR and FT-Raman spectra of 4-trifluoromethylbenzylamine (TFMBA) have been recorded in the range 4000-450 and 4000-100 cm-1 respectively. The conformational analysis of the compound has been carried out to attain stable geometry of the compound. The complete vibrational assignment and analysis of the fundamental modes of the compound are carried out using the experimental FTIR and FT-Raman data and quantum chemical studies. The experimental vibrational frequencies are compared with the wavenumbers obtained theoretically from the B3LYP gradient calculations employing the standard high level 6-311++G** and cc-pVTZ basis sets for the optimised geometry of the compound. The structural parameters, thermodynamic properties and vibrational frequencies of the normal modes obtained from the B3LYP methods are in good agreement with the experimental data. The 1H (400 MHz; CDCl3) and 13C (100 MHz; CDCl3) nuclear magnetic resonance (NMR) spectra were also recorded. The electronic properties, highest occupied molecular orbital and lowest unoccupied molecular orbital energies are measured by DFT approach. The charges of the atoms by natural bond orbital (NBO) analysis are determined by B3LYP/cc-pVTZ method. The structure-chemical reactivity relations of the compound are determined through chemical potential, global hardness, global softness, electronegativity, electrophilicity and local reactivity descriptors by conceptual DFT methods.

A new parallel-vector finite element analysis software on distributed-memory computers

NASA Technical Reports Server (NTRS)

Qin, Jiangning; Nguyen, Duc T.

1993-01-01

A new parallel-vector finite element analysis software package MPFEA (Massively Parallel-vector Finite Element Analysis) is developed for large-scale structural analysis on massively parallel computers with distributed-memory. MPFEA is designed for parallel generation and assembly of the global finite element stiffness matrices as well as parallel solution of the simultaneous linear equations, since these are often the major time-consuming parts of a finite element analysis. Block-skyline storage scheme along with vector-unrolling techniques are used to enhance the vector performance. Communications among processors are carried out concurrently with arithmetic operations to reduce the total execution time. Numerical results on the Intel iPSC/860 computers (such as the Intel Gamma with 128 processors and the Intel Touchstone Delta with 512 processors) are presented, including an aircraft structure and some very large truss structures, to demonstrate the efficiency and accuracy of MPFEA.

Ocean Engineering Studies Compiled 1991. Volume 9. External Pressure Housing - Conrete

DTIC Science & Technology

1991-01-01

by inserts of different rigidities would thus be obtained. Table 1. Description of Concrete Sphere Models and Test...relationship between the insert’s rigidity and the strain increase in its vicinity. Planned investigation by NCEL employing photoelastic analysis of models of ... structural , in which only the load -carrying ability of the structure was checked. In the operational tests, the small-scale model habitat

Synthesis, structure and conformational analysis of imidazo-thiazines

NASA Astrophysics Data System (ADS)

Perjési, Pál; Sohár, Pál; Böcskei, Zsolt; Magyarfalvi, Gábor; Farkas, Ödön; Mák, Marianna

1996-04-01

BF 3·OEt 2-catalyzed reaction of chalcones (2) with imidazolidine-2-thione (1) yielded 2,3-dihydro-5,7-diaryl-7 H-imidazo[2,1- b][1,3]thiazines (3). The structure of the compounds was confirmed by MS, X-ray and NMR studies. Ab initio and semiempirical theoretical calculations were carried out to corroborate experimental findings concerning the possible conformations of the products.

STRUCTURE AND EVOLUTION OF COMPETITION-ORGANIZED ECOLOGICAL COMMUNITIES

EPA Science Inventory

It is frequently asserted that conservation biology can advance only by transcending the current species-by-species approach, and refocusing on whole-ecosystem preservation. trong scientific basis does not presently exist for carrying out ecosystem viability analysis, and in part...

Structural and optical properties of NiFe2O4 synthesized via green technology

NASA Astrophysics Data System (ADS)

Patel, S.; Saleem, M.; Varshney, Dinesh

2018-05-01

The nanoparticles of NiFe2O4 were successfully synthesized via green technology using banana peel extract as the catalyst as well as the medium for reaction technique is reported. Analysis of X-ray diffraction spectrum revealed the cubic structure for the prepared spinel ferrite samples crystallized into cubic spinel structure with the space group Fd3m. The Retvield refinement was carried out which obeyed the results obtained from the XRD spectrum analysis of the sample. Raman spectrum provided confirmation for the spinel structure formation and five active Raman modes were observed. Since the optical band-gap value shows inverse response to the crystallite size, The UV-Vis spectrum study confirmed dual but reduced band-gap value.

Composite theory applied to elastomers

NASA Technical Reports Server (NTRS)

Clark, S. K.

1986-01-01

Reinforced elastomers form the basis for most of the structural or load carrying applications of rubber products. Computer based structural analysis in the form of finite element codes was highly successful in refining structural design in both isotropic materials and rigid composites. This has lead the rubber industry to attempt to make use of such techniques in the design of structural cord-rubber composites. While such efforts appear promising, they were not easy to achieve for several reasons. Among these is a distinct lack of a clearly defined set of material property descriptors suitable for computer analysis. There are substantial differences between conventional steel, aluminum, or even rigid composites such as graphite-epoxy, and textile-cord reinforced rubber. These differences which are both conceptual and practical are discussed.

Density functional theory analysis and molecular docking evaluation of 1-(2, 5-dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone as COX2 inhibitor against inflammatory diseases

NASA Astrophysics Data System (ADS)

Kavitha, T.; Velraj, G.

2017-08-01

The molecular structure of 1-(2, 5-Dichloro-4-Sulfophenyl)-3-Methyl-5-Pyrazolone (DSMP) was optimized using DFT/B3LYP/6-31++G(d,p) level and its corresponding experimental as well as theoretical FT-IR, FT-Raman vibrational frequencies and UV-Vis spectral analysis were carried out. The vibrational assignments and total energy distributions of each vibration were presented with the aid of Veda 4xx software. The molecular electrostatic potential, HOMO-LUMO energies, global and local reactivity descriptors and natural bond orbitals were analyzed in order to find the most possible reactive sites of the molecule and it was found that DSMP molecule possess enhanced nucleophilic activity. One of the common known COX2 inhibitor, celecoxib (CXB) was also found to exhibit similar reactivity properties and hence DSMP was also expected to inhibit COX enzymes. In order to detect the COX inhibition nature of DSMP, molecular docking analysis was carried out with the help of Autodock software. For that, the optimized structure was in turn used for docking DSMP with COX enzymes. The binding energy scores and inhibitory constant values reveal that the DSMP molecule possess good binding affinity and low inhibition constant towards COX2 enzyme and hence it can be used as an anti-inflammatory drug after carrying out necessary biological tests.

Simulation of stochastic wind action on transmission power lines

NASA Astrophysics Data System (ADS)

Wielgos, Piotr; Lipecki, Tomasz; Flaga, Andrzej

2018-01-01

The paper presents FEM analysis of the wind action on overhead transmission power lines. The wind action is based on a stochastic simulation of the wind field in several points of the structure and on the wind tunnel tests on aerodynamic coefficients of the single conductor consisting of three wires. In FEM calculations the section of the transmission power line composed of three spans is considered. Non-linear analysis with deadweight of the structure is performed first to obtain the deformed shape of conductors. Next, time-dependent wind forces are applied to respective points of conductors and non-linear dynamic analysis is carried out.

Consistent linearization of the element-independent corotational formulation for the structural analysis of general shells

NASA Technical Reports Server (NTRS)

Rankin, C. C.

1988-01-01

A consistent linearization is provided for the element-dependent corotational formulation, providing the proper first and second variation of the strain energy. As a result, the warping problem that has plagued flat elements has been overcome, with beneficial effects carried over to linear solutions. True Newton quadratic convergence has been restored to the Structural Analysis of General Shells (STAGS) code for conservative loading using the full corotational implementation. Some implications for general finite element analysis are discussed, including what effect the automatic frame invariance provided by this work might have on the development of new, improved elements.

Image Analysis Technique for Material Behavior Evaluation in Civil Structures

PubMed Central

Moretti, Michele; Rossi, Gianluca

2017-01-01

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

Image Analysis Technique for Material Behavior Evaluation in Civil Structures.

PubMed

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

2017-07-08

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

Conformational, structural, vibrational and quantum chemical analysis on 4-aminobenzohydrazide and 4-hydroxybenzohydrazide--a comparative study.

PubMed

Arjunan, V; Jayaprakash, A; Carthigayan, K; Periandy, S; Mohan, S

2013-05-01

Experimental and theoretical quantum chemical studies were carried out on 4-hydroxybenzohydrazide (4HBH) and 4-aminobenzohydrazide (4ABH) using FTIR and FT-Raman spectral data. The structural characteristics and vibrational spectroscopic analysis were carried performed by quantum chemical methods with the hybrid exchange-correlation functional B3LYP using 6-31G(**), 6-311++G(**) and aug-cc-pVDZ basis sets. The most stable conformer of the title compounds have been determined from the analysis of potential energy surface. The stable molecular geometries, electronic and thermodynamic parameters, IR intensities, harmonic vibrational frequencies, depolarisation ratio and Raman intensities have been computed. Molecular electrostatic potential and frontier molecular orbitals were constructed to understand the electronic properties. The potential energy distributions (PEDs) were calculated to explain the mixing of fundamental modes. The theoretical geometrical parameters and the fundamental frequencies were compared with the experimental. The interactions of hydroxy and amino group substitutions on the characteristic vibrations of the ring and hydrazide group have been analysed. Copyright © 2013 Elsevier B.V. All rights reserved.

NRL Fact Book

DTIC Science & Technology

1985-04-01

characteristics of targets Tank 9.1 m (30 ft) in diameter by 6.7 m (22 ft) deep , automated with computer con- trol and analysis for detailed studies of acoustic...structures; and conducts experiments in the deep ocean, in acoustically shallow water, and in the Arctic. The Division carries out theoretical and...Laser Materials-Application Center Failure Analysis and Fractography Staff Research Activity Areas Environmental Effects Microstructural characterization

ANALYSIS OF SECONDARY ORGANIC AEROSOL COMPOUNDS FROM THE PHOTOOXIDATION OF D-LIMONENE IN THE PRESENCE OF NO X AND THEIR DETECTION IN AMBIENT PM 2.5

EPA Science Inventory

Chemical analysis of secondary organic aerosol (SOA) from the photooxidation of a d-limonene/NOx/air mixture was carried out. SOA, generated in a smog chamber, was collected on Zefluor filters. To determine the structural characteristics of the compounds, the filter sample...

Methods for heat transfer and temperature field analysis of the insulated diesel phase 2 progress report

NASA Technical Reports Server (NTRS)

Morel, T.; Kerlbar, R.; Fort, E. F.; Blumberg, P. N.

1985-01-01

This report describes work done during Phase 2 of a 3 year program aimed at developing a comprehensive heat transfer and thermal analysis methodology for design analysis of insulated diesel engines. The overall program addresses all the key heat transfer issues: (1) spatially and time-resolved convective and radiative in-cylinder heat transfer, (2) steady-state conduction in the overall structure, and (3) cyclical and load/speed temperature transients in the engine structure. During Phase 2, radiation heat transfer model was developed, which accounts for soot formation and burn up. A methodology was developed for carrying out the multi-dimensional finite-element heat conduction calculations within the framework of thermodynamic cycle codes. Studies were carried out using the integrated methodology to address key issues in low heat rejection engines. A wide ranging design analysis matrix was covered, including a variety of insulation strategies, recovery devices and base engine configurations. A single cylinder Cummins engine was installed at Purdue University, and it was brought to a full operational status. The development of instrumentation was continued, concentrating on radiation heat flux detector, total heat flux probe, and accurate pressure-crank angle data acquisition.

FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: vigabatrin.

PubMed

Edwin, Bismi; Joe, I Hubert

2013-10-01

Vibrational analysis of anti-epileptic drug vigabatrin, a structural GABA analog was carried out using NIR FT-Raman and FTIR spectroscopic techniques. The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers were studied using density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA.4 program. Vibrational spectra, natural bond orbital analysis and optimized molecular structure show clear evidence for the effect of electron charge transfer on the activity of the molecule. Predicted electronic absorption spectrum from TD-DFT calculation has been compared with the UV-vis spectrum. The Mulliken population analysis on atomic charges and the HOMO-LUMO energy were also calculated. Good consistency is found between the calculated results and experimental data for the electronic absorption as well as IR and Raman spectra. The blue-shifting of the C-C stretching wavenumber reveals that the vinyl group is actively involved in the conjugation path. The NBO analysis confirms the occurrence of intramolecular hyperconjugative interactions resulting in ICT causing stabilization of the system. Copyright © 2013 Elsevier B.V. All rights reserved.

End Effects and Load Diffusion in Composite Structures

NASA Technical Reports Server (NTRS)

Horgan, Cornelius O.; Ambur, D. (Technical Monitor); Nemeth, M. P. (Technical Monitor)

2002-01-01

The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Specific problems recently considered were focussed on end effects in sandwich structures and for functionally graded materials. Both linear and nonlinear (geometric and material) problems have been addressed. Our goal is the development of readily applicable design formulas for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses. The decay behavior of stresses and other field quantities provides a significant aid towards this process. The analysis is also amenable to parameter study with a large parameter space and should be useful in structural tailoring studies.

Structural Efficiency and Behavior of Pristine and Notched Stitched Structure

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.

2011-01-01

Two driving factors in aircraft panel design are structural efficiency and response to in-service damage. Stitching through the thickness can improve both of these considerations. Combining stitching with a post-buckling design approach can provide additional improvements. The buckling behavior of stitched structure is considered since lighter structures can be achieved if local skin buckling is allowed to occur at less than design ultimate load. Through-the-thickness stitching can suppress delamination between skin and flange, thereby allowing the structure to reliably carry load into the postbuckling range. Hat-stiffened and rod-stiffened panels in which the skin and flanges were stitched together through-the-thickness prior to curing are considered through experiment and analysis. In both types of panels no mechanical fasteners were used for the assembly. Specimens were loaded to failure in axial compression. In this study all specimens buckled in the skin between the stiffeners and continued to carry load. In addition, the behavior of panels with a severed stringer or notch are considered. Failure loads and strain distributions in the notched panel are compared to those in the unnotched panel.

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

Klimenov, V. A., E-mail: klimenov@tpu.ru; National Research Tomsk Polytechnic University, 30 Lenin Av., Tomsk, 634050; Kurgan, K. A., E-mail: kirill-k2.777@mail.ru

The structure of weld joints of the titanium alloy Ti-6Al-4V in the initial ultrafine-grained state, obtained by resistance spot welding, is studied using the optical and scanning electron microscopy method and the X-ray structure analysis. The carried out studies show the relationship of the metal structure in the weld zone with main joint zones. The structure in the core zone and the heat affected zone is represented by finely dispersed grains of needle-shaped martensite, differently oriented in these zones. The change in the microhardness in the longitudinal section of the weld joint clearly correlates with structural changes during welding.

The structure and rainfall features of Tropical Cyclone Rammasun (2002)

NASA Astrophysics Data System (ADS)

Ma, Leiming; Duan, Yihong; Zhu, Yongti

2004-12-01

Tropical Rainfall Measuring Mission (TRMM) data [TRMM Microwave Imager/Precipitation Radar/Visible and Infrared Scanner (TMI/PR/VIRS)] and a numerical model are used to investigate the structure and rainfall features of Tropical Cyclone (TC) Rammasun (2002). Based on the analysis of TRMM data, which are diagnosed together with NCEP/AVN [Aviation (global model)] analysis data, some typical features of TC structure and rainfall are preliminary discovered. Since the limitations of TRMM data are considered for their time resolution and coverage, the world observed by TRMM at several moments cannot be taken as the representation of the whole period of the TC lifecycle, therefore the picture should be reproduced by a numerical model of high quality. To better understand the structure and rainfall features of TC Rammasun, a numerical simulation is carried out with mesoscale model MM5 in which the validations have been made with the data of TRMM and NCEP/AVN analysis.

Finite element modelling of crash response of composite aerospace sub-floor structures

NASA Astrophysics Data System (ADS)

McCarthy, M. A.; Harte, C. G.; Wiggenraad, J. F. M.; Michielsen, A. L. P. J.; Kohlgrüber, D.; Kamoulakos, A.

Composite energy-absorbing structures for use in aircraft are being studied within a European Commission research programme (CRASURV - Design for Crash Survivability). One of the aims of the project is to evaluate the current capabilities of crashworthiness simulation codes for composites modelling. This paper focuses on the computational analysis using explicit finite element analysis, of a number of quasi-static and dynamic tests carried out within the programme. It describes the design of the structures, the analysis techniques used, and the results of the analyses in comparison to the experimental test results. It has been found that current multi-ply shell models are capable of modelling the main energy-absorbing processes at work in such structures. However some deficiencies exist, particularly in modelling fabric composites. Developments within the finite element code are taking place as a result of this work which will enable better representation of composite fabrics.

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.

Analysis of post-tensioned girders structural behaviour using continuous temperature and strain monitoring

NASA Astrophysics Data System (ADS)

Bednarski, Ł.; Sieńko, R.; Howiacki, T.

2017-10-01

This article presents the possibility of using structural health monitoring system data for the analysis of structure’s operation during its life cycle. Within the specific case study it was proved, that continuous, automatic and long term monitoring of selected physical quantities such as strains and temperatures, can significantly improve the assessment of technical condition by identifying hazardous phenomena. In this work the analysis of structural behaviour of post-tensioned girders within the roofing of sport halls in Cracow, Poland, was performed based on measurement results and verified by numerical model carried out in SOFiSTiK software. Thanks to the possibility of performing calculations in real time and informing the manager of the object about abnormalities it is possible to manage the structure in effective way by, inter alia, planning the renovations or supporting decisions about snow removal.

Post-Buckling and Ultimate Strength Analysis of Stiffened Composite Panel Base on Progressive Damage

NASA Astrophysics Data System (ADS)

Zhang, Guofan; Sun, Xiasheng; Sun, Zhonglei

Stiffened composite panel is the typical thin wall structure applied in aerospace industry, and its main failure mode is buckling subjected to compressive loading. In this paper, the development of an analysis approach using Finite Element Method on post-buckling behavior of stiffened composite structures under compression was presented. Then, the numerical results of stiffened panel are obtained by FE simulations. A thorough comparison were accomplished by comparing the load carrying capacity and key position strains of the specimen with test. The comparison indicates that the FEM results which adopted developed methodology could meet the demand of engineering application in predicting the post-buckling behavior of intact stiffened structures in aircraft design stage.

Synthesis of Bi0.9Nd0.1FeO3 multiferroic nanoceramic by sol-gel method and its structural, surface morphology and dielectric analysis

NASA Astrophysics Data System (ADS)

Das, S.; Bera, K. P.; Nath, T. K.

2017-05-01

Synthesis of Nd-doped BFO multiferroic nanoceramic by the conventional sol-gel method has been carried out. HRXRD and FESEM have been used for the structural analysis to confirm the triclinic structure and to obtain the surface morphology showing agglomeration and to find out the size of the nanoparticles. A high precision LCR meter has been used to record the dielectric constants at various temperatures. Several anomalies are observed whose physical explanations have been given. Space charge polarization effect and magnetoelectric coupling have been confirmed in the synthesized Bi0.9Nd0.1FeO3 nanoceramic sample.

The haloarchaeal MCM proteins: bioinformatic analysis and targeted mutagenesis of the β7-β8 and β9-β10 hairpin loops and conserved zinc binding domain cysteines.

PubMed

Kristensen, Tatjana P; Maria Cherian, Reeja; Gray, Fiona C; MacNeill, Stuart A

2014-01-01

The hexameric MCM complex is the catalytic core of the replicative helicase in eukaryotic and archaeal cells. Here we describe the first in vivo analysis of archaeal MCM protein structure and function relationships using the genetically tractable haloarchaeon Haloferax volcanii as a model system. Hfx. volcanii encodes a single MCM protein that is part of the previously identified core group of haloarchaeal MCM proteins. Three structural features of the N-terminal domain of the Hfx. volcanii MCM protein were targeted for mutagenesis: the β7-β8 and β9-β10 β-hairpin loops and putative zinc binding domain. Five strains carrying single point mutations in the β7-β8 β-hairpin loop were constructed, none of which displayed impaired cell growth under normal conditions or when treated with the DNA damaging agent mitomycin C. However, short sequence deletions within the β7-β8 β-hairpin were not tolerated and neither was replacement of the highly conserved residue glutamate 187 with alanine. Six strains carrying paired alanine substitutions within the β9-β10 β-hairpin loop were constructed, leading to the conclusion that no individual amino acid within that hairpin loop is absolutely required for MCM function, although one of the mutant strains displays greatly enhanced sensitivity to mitomycin C. Deletions of two or four amino acids from the β9-β10 β-hairpin were tolerated but mutants carrying larger deletions were inviable. Similarly, it was not possible to construct mutants in which any of the conserved zinc binding cysteines was replaced with alanine, underlining the likely importance of zinc binding for MCM function. The results of these studies demonstrate the feasibility of using Hfx. volcanii as a model system for reverse genetic analysis of archaeal MCM protein function and provide important confirmation of the in vivo importance of conserved structural features identified by previous bioinformatic, biochemical and structural studies.

Growth and characterization of metal halide perovskite crystals: Benzyltributyl ammonium tetrachloro manganate(II) monohydrate

NASA Astrophysics Data System (ADS)

Dhandapani, M.; Sugandhi, K.; Nithya, S.; Muthuraja, P.; Balachandar, S.; Aranganayagam, K. R.

2018-05-01

The perovskite type organic-inorganic hybrid benzyltributyl ammoniumtetrachloro manganate (II) monohydrates (BTBA-Mn) are synthesized and the single crystals are grown by slow evaporation solution growth technique. The structure of the grown crystals are confirmed by using X-ray diffraction (XRD), unit cell parameter analysis, Fourier transform Infrared (FTIR), elemental analysis and 13C-NMR spectral studies. Thermogravimetry (TG), differential thermal analysis (DTA) and differential scanning colorimetric (DSC) analysis were carried out to understand thermal stability and occurrence of phase transition.

[Hospitality as an expression of nursing care].

PubMed

Barra, Daniela Couto Carvalho; Waterkemper, Roberta; Kempfer, Silvana Silveira; Carraro, Telma Elisa; Radünz, Vera

2010-01-01

Qualitative research whose purpose was to reflect and argue about the relationship between hospitality, care and nursing according to experiences of PhD students. The research was developed from theoretic and practical meeting carried through by disciplines "the care in Nursing and Health" of PhD nursing Program at Santa Catarina Federal University. Its chosen theoretical frame of Hospitality perspective while nursing care. Data were collected applying a semi-structured questionnaire at ten doctoral students. The analysis of the data was carried through under the perspective of the content analysis according to Bardin. Hospitality it is imperative for the individuals adaptation in the hospital context or any area where it is looking for health care.

Failure Analysis on Tail Rotor Teeter Pivot Bolt on a Helicopter

NASA Astrophysics Data System (ADS)

Qiang, WANG; Zi-long, DONG

2018-03-01

Tail rotor teeter pivot bolt of a helicopter fractured when in one flight. Failure analysis on the bolt was finished in laboratory. Macroscopic observation of the tailor rotor teeter pivot bolt, macro and microscopic inspection on the fracture surface of the bolt was carried out. Chemical components and metallurgical structure was also carried out. Experiment results showed that fracture mode of the tail rotor teeter pivot bolt is fatigue fracture. Fatigue area is over 80% of the total fracture surface, obvious fatigue band characteristics can be found at the fracture face. According to the results were analyzed from the macroscopic and microcosmic aspects, fracture reasons of the tail rotor teeter pivot bolt were analyzed in detail

Improved reliability of wind turbine towers with active tuned mass dampers (ATMDs)

NASA Astrophysics Data System (ADS)

Fitzgerald, Breiffni; Sarkar, Saptarshi; Staino, Andrea

2018-04-01

Modern multi-megawatt wind turbines are composed of slender, flexible, and lightly damped blades and towers. These components exhibit high susceptibility to wind-induced vibrations. As the size, flexibility and cost of the towers have increased in recent years, the need to protect these structures against damage induced by turbulent aerodynamic loading has become apparent. This paper combines structural dynamic models and probabilistic assessment tools to demonstrate improvements in structural reliability when modern wind turbine towers are equipped with active tuned mass dampers (ATMDs). This study proposes a multi-modal wind turbine model for wind turbine control design and analysis. This study incorporates an ATMD into the tower of this model. The model is subjected to stochastically generated wind loads of varying speeds to develop wind-induced probabilistic demand models for towers of modern multi-megawatt wind turbines under structural uncertainty. Numerical simulations have been carried out to ascertain the effectiveness of the active control system to improve the structural performance of the wind turbine and its reliability. The study constructs fragility curves, which illustrate reductions in the vulnerability of towers to wind loading owing to the inclusion of the damper. Results show that the active controller is successful in increasing the reliability of the tower responses. According to the analysis carried out in this paper, a strong reduction of the probability of exceeding a given displacement at the rated wind speed has been observed.

Numerical Estimation of Sound Transmission Loss in Launch Vehicle Payload Fairing

NASA Astrophysics Data System (ADS)

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

2017-08-01

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

Impact of inhomogeneity on SH-type wave propagation in an initially stressed composite structure

NASA Astrophysics Data System (ADS)

Saha, S.; Chattopadhyay, A.; Singh, A. K.

2018-02-01

The present analysis has been made on the influence of distinct form of inhomogeneity in a composite structure comprised of double superficial layers lying over a half-space, on the phase velocity of SH-type wave propagating through it. Propagation of SH-type wave in the said structure has been examined in four distinct cases of inhomogeneity viz. when inhomogeneity in double superficial layer is due to exponential variation in density only (Case I); when inhomogeneity in double superficial layers is due to exponential variation in rigidity only (Case II); when inhomogeneity in double superficial layer is due to exponential variation in rigidity, density and initial stress (Case III) and when inhomogeneity in double superficial layer is due to linear variation in rigidity, density and initial stress (Case IV). Closed-form expression of dispersion relation has been accomplished for all four aforementioned cases through extensive application of Debye asymptotic analysis. Deduced dispersion relations for all the cases are found in well-agreement to the classical Love-wave equation. Numerical computation has been carried out to graphically demonstrate the effect of inhomogeneity parameters, initial stress parameters as well as width ratio associated with double superficial layers in the composite structure for each of the four aforesaid cases on dispersion curve. Meticulous examination of distinct cases of inhomogeneity and initial stress in context of considered problem has been carried out with detailed analysis in a comparative approach.

Novel chaperonins are prevalent in the virioplankton and demonstrate links to viral biology and ecology

PubMed Central

Marine, Rachel L; Nasko, Daniel J; Wray, Jeffrey; Polson, Shawn W; Wommack, K Eric

2017-01-01

Chaperonins are protein-folding machinery found in all cellular life. Chaperonin genes have been documented within a few viruses, yet, surprisingly, analysis of metagenome sequence data indicated that chaperonin-carrying viruses are common and geographically widespread in marine ecosystems. Also unexpected was the discovery of viral chaperonin sequences related to thermosome proteins of archaea, indicating the presence of virioplankton populations infecting marine archaeal hosts. Virioplankton large subunit chaperonin sequences (GroELs) were divergent from bacterial sequences, indicating that viruses have carried this gene over long evolutionary time. Analysis of viral metagenome contigs indicated that: the order of large and small subunit genes was linked to the phylogeny of GroEL; both lytic and temperate phages may carry group I chaperonin genes; and viruses carrying a GroEL gene likely have large double-stranded DNA (dsDNA) genomes (>70 kb). Given these connections, it is likely that chaperonins are critical to the biology and ecology of virioplankton populations that carry these genes. Moreover, these discoveries raise the intriguing possibility that viral chaperonins may more broadly alter the structure and function of viral and cellular proteins in infected host cells. PMID:28731469

Novel chaperonins are prevalent in the virioplankton and demonstrate links to viral biology and ecology.

PubMed

Marine, Rachel L; Nasko, Daniel J; Wray, Jeffrey; Polson, Shawn W; Wommack, K Eric

2017-11-01

Chaperonins are protein-folding machinery found in all cellular life. Chaperonin genes have been documented within a few viruses, yet, surprisingly, analysis of metagenome sequence data indicated that chaperonin-carrying viruses are common and geographically widespread in marine ecosystems. Also unexpected was the discovery of viral chaperonin sequences related to thermosome proteins of archaea, indicating the presence of virioplankton populations infecting marine archaeal hosts. Virioplankton large subunit chaperonin sequences (GroELs) were divergent from bacterial sequences, indicating that viruses have carried this gene over long evolutionary time. Analysis of viral metagenome contigs indicated that: the order of large and small subunit genes was linked to the phylogeny of GroEL; both lytic and temperate phages may carry group I chaperonin genes; and viruses carrying a GroEL gene likely have large double-stranded DNA (dsDNA) genomes (>70 kb). Given these connections, it is likely that chaperonins are critical to the biology and ecology of virioplankton populations that carry these genes. Moreover, these discoveries raise the intriguing possibility that viral chaperonins may more broadly alter the structure and function of viral and cellular proteins in infected host cells.

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

DOE PAGES

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

2015-07-14

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

Detection of pigment network in dermoscopy images using supervised machine learning and structural analysis.

PubMed

García Arroyo, Jose Luis; García Zapirain, Begoña

2014-01-01

By means of this study, a detection algorithm for the "pigment network" in dermoscopic images is presented, one of the most relevant indicators in the diagnosis of melanoma. The design of the algorithm consists of two blocks. In the first one, a machine learning process is carried out, allowing the generation of a set of rules which, when applied over the image, permit the construction of a mask with the pixels candidates to be part of the pigment network. In the second block, an analysis of the structures over this mask is carried out, searching for those corresponding to the pigment network and making the diagnosis, whether it has pigment network or not, and also generating the mask corresponding to this pattern, if any. The method was tested against a database of 220 images, obtaining 86% sensitivity and 81.67% specificity, which proves the reliability of the algorithm. © 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

[Problem-based learning, a strategy to employ it].

PubMed

Guillamet Lloveras, Ana; Celma Vicente, Matilde; González Carrión, Pilar; Cano-Caballero Gálvez, Ma Dolores; Pérez Ramírez, Francisca

2009-02-01

The Virgen de las Nieves University School of Nursing has adopted the methodology of Problem-Based Learning (ABP in Spanish acronym) as a supplementary method to gain specific transversal competencies. In so doing, all basic required/obligatory subjects necessary for a degree have been partially affected. With the objective of identifying and administering all the structural and cultural barriers which could impede the success or effectiveness of its adoption, a strategic analysis at the School was carried out. This technique was based on a) knowing the strong and weak points the School has for adopting the Problem-Based Learning methodology; b) describing the structural problems and necessities to carry out this teaching innovation; c) to discover the needs professors have regarding knowledge and skills related to Problem-Based Learning; d) to prepare students by informing them about the characteristics of Problem-Based Learning; e) to evaluate the results obtained by means of professor and student opinions, f) to adopt the improvements identified. The stages followed were: strategic analysis, preparation, pilot program, adoption and evaluation.

Synthesis of t-butyl 2-(4-hydroxy-3-methoxybenzylidene)hydrazine carboxylate: Experimental and theoretical investigations of its properties

NASA Astrophysics Data System (ADS)

Bhat, Muzzaffar A.; Lone, Shabir H.; Mir, Muzzaffar A.; Majid, Sheikh A.; Bhat, Haroon Mohi-ud-din; Butcher, Raymond J.; Srivastava, Sanjay K.

2018-07-01

A convenient and facile synthesis of t-butyl-2-(4-hydroxy-3-methoxybenzylidene)hydrazine carboxylate (1) was accomplished by refluxing t-butyl carbazate with an appropriate aldehyde in ethanol. The resulting compound was characterized using spectral data analysis augmented by X-ray. Single crystal analysis depicted that compound 1 crystallizes in a monoclinic crystal system with P 21/c space group having trans-geometry at the Cdbnd N bond. The structural and electronic properties of the title compound have been calculated using DFT/B3LYP/6-311G (d,p) level of theory. Theoretically obtained parameters were well compared to the experimentally obtained results which depicted excellent agreement. Molecular electrostatic potential surface, frontier orbital analysis and vibrational analysis were also carried out. HOMO-LUMO energy gap was calculated which allowed the calculation of relative reactivity descriptors like chemical hardness, chemical inertness, chemical potential, nucleophilicity and electrophilicity index of the synthesized product. Pass prediction was carried out which revealed that compound 1 can be highly active against Mcl-1 enzyme, with Pa of 0.544. Based on Pass, molecular docking of compound 1 was carried out against Mcl-1 protein. Compound 1 displayed a binding free energy of -5.22 kcal/mol and inhibition constant of 149.06 μM and 1 depicted only alkyl hydrophobic and mixed pi/alkyl hydrophobic interactions with Mcl-1 enzyme. In short, this study reveals the synthesis of a new schiff base, and unravels the structural, electronic and biological properties of the title compound, paving way for further research in the field of drug development.

Coupled Finite Volume and Finite Element Method Analysis of a Complex Large-Span Roof Structure

NASA Astrophysics Data System (ADS)

Szafran, J.; Juszczyk, K.; Kamiński, M.

2017-12-01

The main goal of this paper is to present coupled Computational Fluid Dynamics and structural analysis for the precise determination of wind impact on internal forces and deformations of structural elements of a longspan roof structure. The Finite Volume Method (FVM) serves for a solution of the fluid flow problem to model the air flow around the structure, whose results are applied in turn as the boundary tractions in the Finite Element Method problem structural solution for the linear elastostatics with small deformations. The first part is carried out with the use of ANSYS 15.0 computer system, whereas the FEM system Robot supports stress analysis in particular roof members. A comparison of the wind pressure distribution throughout the roof surface shows some differences with respect to that available in the engineering designing codes like Eurocode, which deserves separate further numerical studies. Coupling of these two separate numerical techniques appears to be promising in view of future computational models of stochastic nature in large scale structural systems due to the stochastic perturbation method.

Characterization of Low-Molecular-Weight Heparins by Strong Anion-Exchange Chromatography.

PubMed

Sadowski, Radosław; Gadzała-Kopciuch, Renata; Kowalkowski, Tomasz; Widomski, Paweł; Jujeczka, Ludwik; Buszewski, Bogusław

2017-11-01

Currently, detailed structural characterization of low-molecular-weight heparin (LMWH) products is an analytical subject of great interest. In this work, we carried out a comprehensive structural analysis of LMWHs and applied a modified pharmacopeial method, as well as methods developed by other researchers, to the analysis of novel biosimilar LMWH products; and, for the first time, compared the qualitative and quantitative composition of commercially available drugs (enoxaparin, nadroparin, and dalteparin). For this purpose, we used strong anion-exchange (SAX) chromatography with spectrophotometric detection because this method is more helpful, easier, and faster than other separation techniques for the detailed disaccharide analysis of new LMWH drugs. In addition, we subjected the obtained results to statistical analysis (factor analysis, t-test, and Newman-Keuls post hoc test).

Flow analysis for efficient design of wavy structured microchannel mixing devices

NASA Astrophysics Data System (ADS)

Kanchan, Mithun; Maniyeri, Ranjith

2018-04-01

Microfluidics is a rapidly growing field of applied research which is strongly driven by demands of bio-technology and medical innovation. Lab-on-chip (LOC) is one such application which deals with integrating bio-laboratory on micro-channel based single fluidic chip. Since fluid flow in such devices is restricted to laminar regime, designing an efficient passive modulator to induce chaotic mixing for such diffusion based flow is a major challenge. In the present work two-dimensional numerical simulation of viscous incompressible flow is carried out using immersed boundary method (IBM) to obtain an efficient design for wavy structured micro-channel mixing devices. The continuity and Navier-Stokes equations governing the flow are solved by fractional step based finite volume method on a staggered Cartesian grid system. IBM uses Eulerian co-ordinates to describe fluid flow and Lagrangian co-ordinates to describe solid boundary. Dirac delta function is used to couple both these co-ordinate variables. A tether forcing term is used to impose the no-slip boundary condition on the wavy structure and fluid interface. Fluid flow analysis by varying Reynolds number is carried out for four wavy structure models and one straight line model. By analyzing fluid accumulation zones and flow velocities, it can be concluded that straight line structure performs better mixing for low Reynolds number and Model 2 for higher Reynolds number. Thus wavy structures can be incorporated in micro-channels to improve mixing efficiency.

Characterization of Aircraft Structural Damage Using Guided Wave Based Finite Element Analysis for In-Flight Structural Health Management

NASA Technical Reports Server (NTRS)

Seshadri, Banavara R.; Krishnamurthy, Thiagarajan; Ross, Richard W.

2016-01-01

The development of multidisciplinary Integrated Vehicle Health Management (IVHM) tools will enable accurate detection, diagnosis and prognosis of damage under normal and adverse conditions during flight. The adverse conditions include loss of control caused by environmental factors, actuator and sensor faults or failures, and structural damage conditions. A major concern is the growth of undetected damage/cracks due to fatigue and low velocity foreign object impact that can reach a critical size during flight, resulting in loss of control of the aircraft. To avoid unstable catastrophic propagation of damage during a flight, load levels must be maintained that are below the load-carrying capacity for damaged aircraft structures. Hence, a capability is needed for accurate real-time predictions of safe load carrying capacity for aircraft structures with complex damage configurations. In the present work, a procedure is developed that uses guided wave responses to interrogate damage. As the guided wave interacts with damage, the signal attenuates in some directions and reflects in others. This results in a difference in signal magnitude as well as phase shifts between signal responses for damaged and undamaged structures. Accurate estimation of damage size and location is made by evaluating the cumulative signal responses at various pre-selected sensor locations using a genetic algorithm (GA) based optimization procedure. The damage size and location is obtained by minimizing the difference between the reference responses and the responses obtained by wave propagation finite element analysis of different representative cracks, geometries and sizes.

Molecular docking and spectroscopic investigations aided by density functional theory of Parkinson's drug 2-(3,4-dihydroxyphenyl)ethylamine

NASA Astrophysics Data System (ADS)

Sherlin, Y. Sheeba; Vijayakumar, T.; Roy, S. D. D.; Jayakumar, V. S.

2018-05-01

Molecular geometry of Parkinson's drug 2-(3,4-Dihydroxyphenyl)ethylamine hydrochloride (Dopamine, DA) has been evaluated and compared with experimental XRD data. Molecular docking and vibrational spectral analysis of DA have been carried out using FT-Raman and FT-IR spectra aided by Density Functional Theory at B3LYP/6-311++G(d,p). The present investigation deals with the analysis of structural and spectral features responsible for drug activities, nature of hydrogen bonding interactions of the molecule and the correlation of Parkinson's nature with its molecular structural features.

To study the effect of doping concentration of silver on structural and optical properties of cadmium oxide (CdO) nanostructure

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

Kumar, Rajesh, E-mail: rkkaushik06@gmail.com; Dept. of Physics, Vaish College of Engineering, Rohtak-124001, Haryana; Sharma, Ashwani

The present work deals with study of structural and optical properties of Silver (Ag) doped Cadmium oxide (CdO) nanostructured synthesized by Chemical Co-precipitation Techniques followed by calcinations at small temperature. The doping concentrations were changing from 0.1 to 10 at% respectively. Structural analysis study of these calcined materials is carried out by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The optical properties of calcined samples were investigating by Fourier transformation infrared (FTIR)spectroscopy, UV-Visible Spectroscopy (UV-Vis). The structural properties analysis results revels that crystallite size are in the range of nano region and TEM results aremore » quite in accordance with XRD results.« less

Fluid-structure interaction analysis of deformation of sail of 30-foot yacht

NASA Astrophysics Data System (ADS)

Bak, Sera; Yoo, Jaehoon; Song, Chang Yong

2013-06-01

Most yacht sails are made of thin fabric, and they have a cambered shape to generate lift force; however, their shape can be easily deformed by wind pressure. Deformation of the sail shape changes the flow characteristics over the sail, which in turn further deforms the sail shape. Therefore, fluid-structure interaction (FSI) analysis is applied for the precise evaluation or optimization of the sail design. In this study, fluid flow analyses are performed for the main sail of a 30-foot yacht, and the results are applied to loading conditions for structural analyses. By applying the supporting forces from the rig, such as the mast and boom-end outhaul, as boundary conditions for structural analysis, the deformed sail shape is identified. Both the flow analyses and the structural analyses are iteratively carried out for the deformed sail shape. A comparison of the flow characteristics and surface pressures over the deformed sail shape with those over the initial shape shows that a considerable difference exists between the two and that FSI analysis is suitable for application to sail design.

TQ-bifurcations in discrete dynamical systems: Analysis of qualitative rearrangements of the oscillation mode

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

Makarenko, A. V., E-mail: avm.science@mail.ru

A new class of bifurcations is defined in discrete dynamical systems, and methods for their diagnostics and the analysis of their properties are presented. The TQ-bifurcations considered are implemented in discrete mappings and are related to the qualitative rearrangement of the shape of trajectories in an extended space of states. Within the demonstration of the main capabilities of the toolkit, an analysis is carried out of a logistic mapping in a domain to the right of the period-doubling limit point. Five critical values of the parameter are found for which the geometric structure of the trajectories of the mapping experiencesmore » a qualitative rearrangement. In addition, an analysis is carried out of the so-called “trace map,” which arises in the problems of quantum-mechanical description of various properties of discrete crystalline and quasicrystalline lattices.« less

Fine Structure Analysis of 4702 oA Band of the Molecule

NASA Astrophysics Data System (ADS)

Sureshkumar, M. B.; Srikant, S. R.

1998-01-01

The emission spectrum of the cobalt monochloride molecule has been excited in a high frequency discharge tube source and the (0,0) band of H-system at 4702 Å was photo-graphed at an inverse dispersion of 0.973 Å/mm in the 5th order of a two meter plane grating spectrograph (Carl-Zeiss). The fine structure analysis of the band has been carried out and the molecular constants are reported for the first time. Rotational isotopic shift due to 37Cl support the analysis. The electronic transition involved is of the type 0---- 0- of case (c) which is equivalent of 3sum+---3sum+ or 5sum+---5sum+.

Conformational Analysis, Molecular Structure and Solid State Simulation of the Antiviral Drug Acyclovir (Zovirax) Using Density Functional Theory Methods

PubMed Central

Alvarez-Ros, Margarita Clara; Palafox, Mauricio Alcolea

2014-01-01

The five tautomers of the drug acyclovir (ACV) were determined and optimised at the MP2 and B3LYP quantum chemical levels of theory. The stability of the tautomers was correlated with different parameters. On the most stable tautomer N1 was carried out a comprehensive conformational analysis, and the whole conformational parameters (R, β, Φ, φ1, φ2, φ3, φ4, φ5) were studied as well as the NBO Natural atomic charges. The calculations were carried out with full relaxation of all geometrical parameters. The search located at least 78 stable structures within 8.5 kcal/mol electronic energy range of the global minimum, and classified in two groups according to the positive or negative value of the torsional angle φ1. In the nitrogen atoms and in the O2' and O5' oxygen atoms of the most stable conformer appear a higher reactivity than in the natural nucleoside deoxyguanosine. The solid state was simulated through a dimer and tetramer forms and the structural parameters were compared with the X-ray crystal data available. Several general conclusions were emphasized. PMID:24915059

Load Diffusion in Composite and Smart Structures

NASA Technical Reports Server (NTRS)

Horgan, Cornelius O.; Ambur, D. (Technical Monitor); Nemeth, M. P. (Technical Monitor)

2003-01-01

The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for the multi-functional large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Some specific problems recently considered were those of end effects in smart materials and structures, study of the stress response of pressurized linear piezoelectric cylinders for both static and steady rotating configurations, an analysis of the effect of pre-stressing and pre-polarization on the decay of end effects in piezoelectric solids and investigation of constitutive models for hardening rubber-like materials. Our goal in the study of load diffusion is the development of readily applicable results for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses.

Research on the Best Root Span of 500kV Substation Frame Based on Finite Element

NASA Astrophysics Data System (ADS)

Chen, Hao; Fang, Qing; Chen, Haoyuan

2018-01-01

A-shaped and steel tube structures have been widely applied when designing 500kV substation frame in China. While, compared with steel tube, angle steels have an advantage of easy-transporting, especially in oversea projects. However, researches on substation frame with angle steel were not enough. In order to find out the best root span of 500kV substation frame under similar engineering conditions, using the overseas project substation frame as an example, the substation frames with different root span have been detailed calculated, to find the best root span according to the cost of it. When the height of column is about 30m, the root suggestion value is 6.1m×3.1m. And then, the buckling analysis of the overall structure has been carried out by ANSYS, to find out that the weak part of the structure is in the middle of it. The structural adjustment is carried out for the weak part, including adjusting the web members and the chord members, to obtain a higher bearing capacity of the structure.

Probabilistic Evaluation of Advanced Ceramic Matrix Composite Structures

NASA Technical Reports Server (NTRS)

Abumeri, Galib H.; Chamis, Christos C.

2003-01-01

The objective of this report is to summarize the deterministic and probabilistic structural evaluation results of two structures made with advanced ceramic composites (CMC): internally pressurized tube and uniformly loaded flange. The deterministic structural evaluation includes stress, displacement, and buckling analyses. It is carried out using the finite element code MHOST, developed for the 3-D inelastic analysis of structures that are made with advanced materials. The probabilistic evaluation is performed using the integrated probabilistic assessment of composite structures computer code IPACS. The affects of uncertainties in primitive variables related to the material, fabrication process, and loadings on the material property and structural response behavior are quantified. The primitive variables considered are: thermo-mechanical properties of fiber and matrix, fiber and void volume ratios, use temperature, and pressure. The probabilistic structural analysis and probabilistic strength results are used by IPACS to perform reliability and risk evaluation of the two structures. The results will show that the sensitivity information obtained for the two composite structures from the computational simulation can be used to alter the design process to meet desired service requirements. In addition to detailed probabilistic analysis of the two structures, the following were performed specifically on the CMC tube: (1) predicted the failure load and the buckling load, (2) performed coupled non-deterministic multi-disciplinary structural analysis, and (3) demonstrated that probabilistic sensitivities can be used to select a reduced set of design variables for optimization.

Development of 300 mesh Soy Bean Crusher for Tofu Material Processing

NASA Astrophysics Data System (ADS)

Lee, E. S.; Pratama, P. S.; Supeno, D.; Jeong, S. W.; Byun, J. Y.; Woo, J. H.; Park, C. S.; Choi, W. S.

2018-03-01

A machine such as bean crusher machine is subjected to different loads and vibration. Due to this vibration there will be certain deformations which affect the performance of the machine in adverse manner. This paper proposed a vibration analysis of bean crusher machine using ANSYS. The effect of vibration on the structure was studied in order to ensure the safety using finite element analysis. This research supports the machine designer to create a better product with lower cost and faster development time. To do this, firstly, using Inventor, a CAD model is prepared. Secondly, the analysis is to be carried out using ANSYS 15. The modal analysis and random vibration analysis of the structure was conducted. The analysis shows that the proposed design was successfully shows the minimum deformation when the vibration was applied in normal condition.

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

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

ANALYSIS OF THE STRUCTURE OF MAGNETIC FIELDS THAT INDUCED INHIBITION OF STIMULATED NEURITE OUTGROWTH

EPA Science Inventory

The important experiments showing nonlinear amplitude dependences of the neurite outgrowth in pheochromocytoma nerve cells due to ELF magnetic field exposure had been carried out in a nonuniform ac magnetic field. The nonuniformity entailed larger than expected variances in magne...

Modeling and performance data for heaving bouy wave energy converter with a compressible degree of freedom

DOE Data Explorer

Bacelli, Giorgio

2016-09-28

Modeling and performance data in Matlab data file (.mat) containing 3 structures (WEC model, simRes_sr and simRes_fix), and a pdf document describing the model, the simulations, and the analysis that has been carried out.

Influence of media with different acidity on structure of FeNi nanotubes

NASA Astrophysics Data System (ADS)

Shumskaya, Alena; Kaniukov, Egor; Kutuzau, Maksim; Bundyukova, Victoria; Tulebayeva, Dinara; Kozlovskiy, Artem; Borgekov, Daryn; Kenzhina, Inesh; Zdorovets, Maxim

2018-04-01

A detailed analysis of the structure features of FeNi nanotubes exposed at environment with different acidity is carried out. It is demonstrated that the exposure of the nanostructures in the environment with high acidity causes the structure deformation, leading to sharply increasing of the presents of oxide phases and partial amorphization of nanotubes walls that determined the rate of FeNi nanotubes destruction. It was established that the evolution of the crystal structure parameters concerned with appearance of oxide phases and with formation of disorder regions as a result of oxidation processes.

Effective constitutive relations for large repetitive frame-like structures

NASA Technical Reports Server (NTRS)

Nayfeh, A. H.; Hefzy, M. S.

1981-01-01

Effective mechanical properties for large repetitive framelike structures are derived using combinations of strength of material and orthogonal transformation techniques. Symmetry considerations are used in order to identify independent property constants. The actual values of these constants are constructed according to a building block format which is carried out in the three consecutive steps: (1) all basic planar lattices are identified; (2) effective continuum properties are derived for each of these planar basic grids using matrix structural analysis methods; and (3) orthogonal transformations are used to determine the contribution of each basic set to the overall effective continuum properties of the structure.

Structural analysis of a ship on global aspect using ANSYS

NASA Astrophysics Data System (ADS)

Rahman, M. Muzibur; Kamol, Rajia Sultana; Islam, Reyana

2017-12-01

Ship is a complex geometry which undergoes a combination of loadings such as hydrostatic, hydrodynamic, wind, wave etc. at sea and thus adequate strength in a ship has always been one of the most challenging tasks for the ship designers. International Maritime Organization (IMO) and classification societies are providing the standards to ensure the adequacy of strength for the ship against all demands throughout its service life. Thus, structural analysis is needed to assess the overall strength of hull, and the means in this regard are based on finite element method which may be applied either local or global aspect of the ship. This paper is an attempt to carry out the structural analysis of a ship in global aspect using ANSYS software to locate the most stress concentration and deformed area, which will have ultimate effect on fatigue fracture.

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

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

Morphological and electrical properties of epoxy-based composites reinforced with exfoliated graphite

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

Lamberti, Patrizia; Spinelli, Giovanni, E-mail: gspinelli@unisa.it; Tucci, Vincenzo

An experimental study has been carried out to prepare and characterize epoxy/amine-based composites filled with different percentages of partially exfoliated graphite (i.e. pEG) particles having an exfoliation degree of 56% in order to analyze the effect of the filler amounts on the electrical properties of the resulting nanocomposites. Moreover, in order to fully investigate the direct relationship between the physical properties of the employed filler and the results of the electrical characterization, a structural and morphological characterization of the pEG samples is carried out by means of various type of analysis such as X-ray diffraction patterns, micro-Raman and Scanning Electronmore » Microscopy (SEM) images. The DC electrical characterization reveals a percolation thresholds (EPT) that falls in the range [2–3] wt% and an electrical conductivity of about 0.66 S/m at the highest filler loading (6.5 wt%). From the analysis of the percolative curve it is possible to derive the percolation law parameters and in particular the critical exponent t, whose value (i.e. 1.2) reflects an effective 2D organization of the percolating structure consistent with the type of filler used (2-dimensional). Finally, an extensive analysis concerning the electrical properties in the frequency domain has been carried out in order to evaluate the effectiveness of pEG-loaded composites in terms of electromagnetic interference compatibility (EMC) and their applicability as radar absorbers materials (RAMs).« less

Data Reduction and Analysis of Pioneer Venus Orbital Ion Mass Spectrometer

NASA Technical Reports Server (NTRS)

Cloutier, Paul A.

1996-01-01

Research was carried out on developing a flow field interaction model for both the dayside and nightside ionosphere of Venus. Specific topics related to the dayside ionosphere included: (1) wave particle mechanisms at the ionopause, (2) structure and dynamics of the Venus ionopause and Ionosphere, and (3) flows and fields in the Venus Ionosphere. The structure and dynamics of ion troughs was also studied in the nightside ionosphere of Venus.

On the Evolution of Precipitation Associated with a Wintertime East Coast Cyclone: A GALE Preliminary Study.

DTIC Science & Technology

1985-01-01

CYCLES (CYCLone Extratropical Storms project), a more elaborate study of precipitation structure, has been carried out by Hobbs and his collaborators...toward the heavily populated northeast portion of the country. The disruption of human activity caused by these often poorly forecast storms is...daily synoptic maps over a century ago permitted analysis of the structure and behavior of extratropical cyclones. Since then considerable literature

Aerospace engineering design by systematic decomposition and multilevel optimization

NASA Technical Reports Server (NTRS)

Sobieszczanski-Sobieski, J.; Barthelemy, J. F. M.; Giles, G. L.

1984-01-01

A method for systematic analysis and optimization of large engineering systems, by decomposition of a large task into a set of smaller subtasks that is solved concurrently is described. The subtasks may be arranged in hierarchical levels. Analyses are carried out in each subtask using inputs received from other subtasks, and are followed by optimizations carried out from the bottom up. Each optimization at the lower levels is augmented by analysis of its sensitivity to the inputs received from other subtasks to account for the couplings among the subtasks in a formal manner. The analysis and optimization operations alternate iteratively until they converge to a system design whose performance is maximized with all constraints satisfied. The method, which is still under development, is tentatively validated by test cases in structural applications and an aircraft configuration optimization.

Design and systems analysis of a chemical interorbital shuttle. Volume 1: Executive summary

NASA Technical Reports Server (NTRS)

Nissim, W.

1972-01-01

An interorbital shuttle that can be utilized to carry payloads between low earth orbit (180 n mi, 37.6 deg) and lunar or geosynchronous orbits, and also to interplanetary trajectories is discussed. After each mission the stage returns to its earth parking orbit where it delivers the inbound payloads, and where it is maintained and refueled for the subsequent missions. The stage can also be utilized to carry large payloads (150 to 200 KLBS) to the Space Station orbit (270 n mi, 55 deg) when it is used as a second or parallel burn stage to the space shuttle booster. The mission and systems analysis, as well as the results of structural, mechanical and propulsion, and avionics subsystems analysis and design are described. A development plan and cost estimates are also included.

TOPLEX: Teleoperated Lunar Explorer. Instruments and Operational Concepts for an Unmanned Lunar Rover

NASA Technical Reports Server (NTRS)

Blacic, James D.

1992-01-01

A Teleoperated Lunar Explorer, or TOPLEX, consisting of a lunar lander payload in which a small, instrument-carrying lunar surface rover is robotically landed and teleoperated from Earth to perform extended lunar geoscience and resource evaluation traverses is proposed. The rover vehicle would mass about 100 kg and carry approximately 100 kg of analytic instruments. Four instruments are envisioned: (1) a Laser-Induced Breakdown Spectrometer (LIBS) for geochemical analysis at ranges up to 100 m, capable of operating in three different modes; (2) a combined x-ray fluorescence and x-ray diffraction (XRF/XRD) instrument for elemental and mineralogic analysis of acquired samples; (3) a mass spectrometer system for stepwise heating analysis of gases released from acquired samples; and (4) a geophysical instrument package for subsurface mapping of structures such as lava tubes.

Physical and structural properties of Sm3+ ions doped heavy metal oxide containing lanthanum-boro-telluirte glass

NASA Astrophysics Data System (ADS)

Madhu, A.; Eraiah, B.

2018-05-01

The structural studies of Tellurium oxide substituted by samarium oxide in lathanum-lead-boro-tellurite glass are successfully prepared with physical and optical parameters are determined. Due to the effect of increased number of non-bridging oxygen's in the glass samples few physical parameters are observed to be decreased. For the better structural analysis FTIR was carried out and transformation of BO3 → BO4 is observed. Most effective absorption coefficient OH- group was attained in the present work.

Origami-inspired building block and parametric design for mechanical metamaterials

NASA Astrophysics Data System (ADS)

Jiang, Wei; Ma, Hua; Feng, Mingde; Yan, Leilei; Wang, Jiafu; Wang, Jun; Qu, Shaobo

2016-08-01

An origami-based building block of mechanical metamaterials is proposed and explained by introducing a mechanism model based on its geometry. According to our model, this origami mechanism supports response to uniaxial tension that depends on structure parameters. Hence, its mechanical properties can be tunable by adjusting the structure parameters. Experiments for poly lactic acid (PLA) samples were carried out, and the results are in good agreement with those of finite element analysis (FEA). This work may be useful for designing building blocks of mechanical metamaterials or other complex mechanical structures.

Structural and thermal properties of γ - irradiated Bombyx mori silk fibroin films

NASA Astrophysics Data System (ADS)

Madhukumar, R.; Asha, S.; Sarojini, B. K.; Somashekar, R.; Rao, B. Lakshmeesha; Shivananda, C. S.; Harish, K. V.; Sangappa

2015-06-01

The gamma radiation-induced change in structural and thermal properties of Bombyx mori silk fibroin films were investigated and have been correlated with the applied radiation doses. Irradiation of samples were carried out in dry air at room temperature using Co-60 source, and radiation doses are in the range of 0 - 300 kGy. Structural and thermal properties of the irradiated silk films were studied using X-ray diffraction (XRD), Differential Scanning Calorimetry (DSC) and Thermogravimetric analysis (TGA) and compared with unirradiated sample. Interesting results are discussed in this report.

Simplified and refined structural modeling for economical flutter analysis and design

NASA Technical Reports Server (NTRS)

Ricketts, R. H.; Sobieszczanski, J.

1977-01-01

A coordinated use of two finite-element models of different levels of refinement is presented to reduce the computer cost of the repetitive flutter analysis commonly encountered in structural resizing to meet flutter requirements. One model, termed a refined model (RM), represents a high degree of detail needed for strength-sizing and flutter analysis of an airframe. The other model, called a simplified model (SM), has a relatively much smaller number of elements and degrees-of-freedom. A systematic method of deriving an SM from a given RM is described. The method consists of judgmental and numerical operations to make the stiffness and mass of the SM elements equivalent to the corresponding substructures of RM. The structural data are automatically transferred between the two models. The bulk of analysis is performed on the SM with periodical verifications carried out by analysis of the RM. In a numerical example of a supersonic cruise aircraft with an arrow wing, this approach permitted substantial savings in computer costs and acceleration of the job turn-around.

Structural, spectral and NBO analysis of 3-(1-(3-hydroxypropylamino)ethylidene)chroman-2,4-dione

NASA Astrophysics Data System (ADS)

Avdović, Edina H.; Milenković, Dejan; Dimitrić-Marković, Jasmina M.; Vuković, Nenad; Trifunović, Srećko R.; Marković, Zoran

2017-11-01

The structure of the newly synthesized coumarin derivative, 3-(1-(3-hydroxypropylamino)-ethylidene)-chroman-2,4-dione, was investigated experimentally and theoretically. FTIR, 1H and 13C NMR spectroscopic methods along with the density functional theory calculations, with B3LYP functional (and with empirical dispersion corrections D3BJ) in combination with the 6-311+G(d,p) basis set, are performed in order to characterize the molecular structure and spectroscopic behavior of the investigated coumarin derivative. Molecular docking analysis was carried out in order to identify the potency of inhibition of the title molecule against human C-reactive protein. The inhibition activity was obtained for ten conformations of ligand inside protein.

An investigation into NVC characteristics of vehicle behaviour using modal analysis

NASA Astrophysics Data System (ADS)

Hanouf, Zahir; Faris, Waleed F.; Ahmad, Kartini

2017-03-01

NVC characterizations of vehicle behavior is one essential part of the development targets in automotive industries. Therefore understanding dynamic behavior of each structural part of the vehicle is a major requirement in improving the NVC characteristics of a vehicle. The main focus of this research is to investigate structural dynamic behavior of a passenger car using modal analysis part by part technique and apply this method to derive the interior noise sources. In the first part of this work computational modal analysis part by part tests were carried out to identify the dynamic parameters of the passenger car. Finite elements models of the different parts of the car are constructed using VPG 3.2 software. Ls-Dyna pre and post processing was used to identify and analyze the dynamic behavior of each car components panels. These tests had successfully produced natural frequencies and their associated mode shapes of such panels like trunk, hood, roof and door panels. In the second part of this research, experimental modal analysis part by part is performed on the selected car panels to extract modal parameters namely frequencies and mode shapes. The study establishes the step-by-step procedures to carry out experimental modal analysis on the car structures, using single input excitation and multi-output responses (SIMO) technique. To ensure the validity of the results obtained by the previous method an inverse method was done by fixing the response and moving the excitation and the results found were absolutely the same. Finally, comparison between results obtained from both analyses showed good similarity in both frequencies and mode shapes. Conclusion drawn from this part of study was that modal analysis part-by-part can be strongly used to establish the dynamic characteristics of the whole car. Furthermore, the developed method is also can be used to show the relationship between structural vibration of the car panels and the passengers’ noise comfort inside the cabin.

Role of indirect readout mechanism in TATA box binding protein-DNA interaction.

PubMed

Mondal, Manas; Choudhury, Devapriya; Chakrabarti, Jaydeb; Bhattacharyya, Dhananjay

2015-03-01

Gene expression generally initiates from recognition of TATA-box binding protein (TBP) to the minor groove of DNA of TATA box sequence where the DNA structure is significantly different from B-DNA. We have carried out molecular dynamics simulation studies of TBP-DNA system to understand how the DNA structure alters for efficient binding. We observed rigid nature of the protein while the DNA of TATA box sequence has an inherent flexibility in terms of bending and minor groove widening. The bending analysis of the free DNA and the TBP bound DNA systems indicate presence of some similar structures. Principal coordinate ordination analysis also indicates some structural features of the protein bound and free DNA are similar. Thus we suggest that the DNA of TATA box sequence regularly oscillates between several alternate structures and the one suitable for TBP binding is induced further by the protein for proper complex formation.

Computational Analysis Reveals the Association of Threonine 118 Methionine Mutation in PMP22 Resulting in CMT-1A

PubMed Central

Swetha, Rayapadi G.

2014-01-01

The T118M mutation in PMP22 gene is associated with Charcot Marie Tooth, type 1A (CMT1A). CMT1A is a form of Charcot-Marie-Tooth disease, the most common inherited disorder of the peripheral nervous system. Mutations in CMT related disorder are seen to increase the stability of the protein resulting in the diseased state. We performed SNP analysis for all the nsSNPs of PMP22 protein and carried out molecular dynamics simulation for T118M mutation to compare the stability difference between the wild type protein structure and the mutant protein structure. The mutation T118M resulted in the overall increase in the stability of the mutant protein. The superimposed structure shows marked structural variation between the wild type and the mutant protein structures. PMID:25400662

A study of structural concepts for ultralightweight spacecraft

NASA Technical Reports Server (NTRS)

Miller, R. K.; Knapp, K.; Hedgepeth, J. M.

1984-01-01

Structural concepts for ultralightweight spacecraft were studied. Concepts for ultralightweight space structures were identified and the validity of heir potential application in advanced spacecraft was assessed. The following topics were investigated: (1) membrane wrinkling under pretensioning; (2) load-carrying capability of pressurized tubes; (3) equilibrium of a precompressed rim; (4) design of an inflated reflector spacecraft; (5) general instability of a rim; and (6) structural analysis of a pressurized isotensoid column. The design approaches for a paraboloidal reflector spacecraft included a spin-stiffened design, both inflated and truss central columns, and to include both deep truss and rim-stiffened geodesic designs. The spinning spacecraft analysis is included, and the two truss designs are covered. The performances of four different approaches to the structural design of a paraboloidal reflector spacecraft are compared. The spinning and inflated configurations result in very low total masses and some concerns about their performance due to unresolved questions about dynamic stability and lifetimes, respectively.

Shock-wave structure for a polyatomic gas with large bulk viscosity

NASA Astrophysics Data System (ADS)

Kosuge, Shingo; Aoki, Kazuo

2018-02-01

The structure of a standing plane shock wave in a polyatomic gas is investigated on the basis of kinetic theory, with special interest in gases with large bulk viscosities, such as CO2 gas. The ellipsoidal statistical model for a polyatomic gas is employed. First, the shock structure is computed numerically for various upstream Mach numbers and for various (large) values of the ratio of the bulk viscosity to the shear viscosity, and different types of profiles, such as the double-layer structure consisting of a thin upstream layer with a steep change and a much thicker downstream layer with a mild change, are obtained. Then, an asymptotic analysis for large values of the ratio is carried out, and an analytical solution that describes the different types of profiles obtained by the numerical analysis, such as the double-layer structure, correctly is obtained.

A novel organic nonlinear optical crystal: Creatininium succinate

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

Thirumurugan, R.; Anitha, K., E-mail: singlecerystalxrd@gmail.ciom

2015-06-24

A novel organic material complex of creatininium succinate (CS) has been synthesized and single crystals were grown by the reaction of creatinine and succinic acid from aqueous solution by employing the technique of slow evaporation at room temperature. The structure of the grown crystal has been elucidated using single crystal X-ray diffraction analysis and the structure was refined by least-squares method to R = 0.027 for 1840 reflections. FT-IR spectral investigation has been carried out to identify the various functional groups in the title compound. UV–Vis transmission was carried out which shows the crystal has a good optical transmittance inmore » the visible region with lower cutoff wavelength around 220 nm. Nonlinear optical property of the crystal was confirmed by Kurtz-Perry powder technique.« less

Epistemic Game for Answer Making in Learning about Hydrostatics

ERIC Educational Resources Information Center

Chen, Ying; Irving, Paul W.; Sayre, Eleanor C.

2013-01-01

Previous research into problem solving in physics resulted in researchers introducing six epistemic games to describe the organizational structures of locally coherent resources. We present a new epistemic game--the "answer-making epistemic game"--which was identified in this paper through the analysis of interviews carried out to validate a…

Assessment of the electronic structure and properties of trichothecene toxins using density functional theory

USDA-ARS?s Scientific Manuscript database

A comprehensive quantum chemical study was carried out on 34 type A and type B trichothecenes, including selected derivatives and biosynthetic precursors of deoxynivalenol, nivalenol, and T-2 toxin. Quantum parameters, Natural Bond Orbital (NBO) analysis, and molecular properties were calculated on ...

Analysis of Voice Impairment in Aphasia after Stroke-Underlying Neuroanatomical Substrates

ERIC Educational Resources Information Center

Vukovic, Mile; Sujic, Radmila; Petrovic-Lazic, Mirjana; Miller, Nick; Milutinovic, Dejan; Babac, Snezana; Vukovic, Irena

2012-01-01

Phonation is a fundamental feature of human communication. Control of phonation in the context of speech-language disturbances has traditionally been considered a characteristic of lesions to subcortical structures and pathways. Evidence suggests however, that cortical lesions may also implicate phonation. We carried out acoustic and perceptual…

Mothers' Perceptions of Female Genital Mutilation

ERIC Educational Resources Information Center

Ahanonu, E. L.; Victor, O.

2014-01-01

The practice of female genital mutilation (FGM) is widespread in Nigeria. This study was conducted to assess the perceptions of FGM among mothers at a primary healthcare centre in Lagos, Nigeria. A convenience sample of 95 mothers completed the pre-tested, semi-structured questionnaires. Data analysis was carried out using descriptive statistics…

Evaluation of design methods to determine scour depths for bridge structures : LTRC research project capsule 08-3ST.

DOT National Transportation Integrated Search

2009-04-01

Scour, an engineering term for erosion, is : the result of the erosive action of flowing : water excavating and carrying away : material from the bed and banks of : streams and from around the piers and : abutments of bridges. For analysis : purposes...

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

Dekan, G.; Farquhar, M.G.; Gabel, C.

Podocalyxin is the major sialoprotein of the rat glomerulus. Its function is to maintain the filtration slits of the glomerular epithelium open by virtue of its high net negative charge. The authors have used biosynthetic labeling and oligosaccharide analysis to characterize the anionic-charge-carrying moieties on this protein. Kidney slices from 2-day-old rats were biosynthetically labeled with ({sup 35}S)Cys, ({sup 3}H)Man, ({sup 3}H)GlcN, and {sup 35}SO{sub 4}, after which podocalyxin was immunoprecipitated and purified by SDS/PAGE. All these labels were incorporated into podocalyxin. Immunoprecipitates were subjected to digestion with specific glycosidases or digested with Pronase followed by chromatographic analysis of themore » released glycopeptides. Analysis of the {sup 35}SO{sub 4}-labeled glycopeptides indicated that both the N- and O-linked structures were sulfated. They conclude that in newborn rat kidney (i) podocalyxin contains both O- and N-linked oligosaccharides (ii) podocalyxin is sulfated, and (iii) sulfate is located on both O-linked oligosaccharides and on glycopeptides carrying tri- or tetrantennary N-linked structures. These results indicate that the net negative charge of podocalyxin is most likely derived from sulfate as well as from sialic acid residues.« less

Coherent light depolarization by multiple scattering media and tissues: some fundamentals and applications

NASA Astrophysics Data System (ADS)

Zimnyakov, Dmitry A.; Tuchin, Valery V.; Yodh, Arjun G.; Mishin, Alexey A.; Peretochkin, Igor S.

1998-04-01

Relationships between decorrelation and depolarization of coherent light scattered by disordered media are examined by using the conception of the photon paths distribution functions. Analysis of behavior of the autocorrelation functions of the scattered field fluctuations and their polarization properties allows us to introduce generalized parameter of scattering media such as specific correlation time. Determination of specific correlation time has been carried out for phantom scattering media (water suspensions of polystyrene spheres). Results of statistical, correlation and polarization analysis of static and dynamic speckle patterns carried out in the experiments with human sclera with artificially controlled optical transmittance are presented. Some possibilities of applications of such polarization- correlation technique for monitoring and visualization of non- single scattering tissue structures are discussed.

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

NASA Astrophysics Data System (ADS)

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

2009-04-01

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

Aircraft Structural Mass Property Prediction Using Conceptual-Level Structural Analysis

NASA Technical Reports Server (NTRS)

Sexstone, Matthew G.

1998-01-01

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

Aircraft Structural Mass Property Prediction Using Conceptual-Level Structural Analysis

NASA Technical Reports Server (NTRS)

Sexstone, Matthew G.

1998-01-01

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

Vibrational spectroscopic, molecular docking and quantum chemical studies on 6-aminonicotinamide

NASA Astrophysics Data System (ADS)

Mohamed Asath, R.; Premkumar, S.; Mathavan, T.; Milton Franklin Benial, A.

2017-04-01

The most stable molecular structure of 6-aminonicotinamide (ANA) molecule was predicted by conformational analysis and vibrational spectral analysis was carried out by experimental and theoretical methods. The calculated and experimentally observed vibrational frequencies were assigned and compared. The π→π* electronic transition of the molecule was predicted by theoretically calculated ultraviolet-visible spectra in gas and liquid phase and further validated experimentally using ethanol as a solvent. Frontier molecular orbitals analysis was carried out to probe the reactive nature of the ANA molecule and further the site selectivity to specific chemical reactions were effectively analyzed by Fukui function calculation. The molecular electrostatic potential surface was simulated to confirm the reactive sites of the molecule. The natural bond orbital analysis was also performed to understand the intra molecular interactions, which confirms the bioactivity of the ANA molecule. Neuroprotective nature of the ANA molecule was analyzed by molecular docking analysis and the ANA molecule was identified as a good inhibitor against Alzheimer's disease.

Can natural proteins designed with 'inverted' peptide sequences adopt native-like protein folds?

PubMed

Sridhar, Settu; Guruprasad, Kunchur

2014-01-01

We have carried out a systematic computational analysis on a representative dataset of proteins of known three-dimensional structure, in order to evaluate whether it would possible to 'swap' certain short peptide sequences in naturally occurring proteins with their corresponding 'inverted' peptides and generate 'artificial' proteins that are predicted to retain native-like protein fold. The analysis of 3,967 representative proteins from the Protein Data Bank revealed 102,677 unique identical inverted peptide sequence pairs that vary in sequence length between 5-12 and 18 amino acid residues. Our analysis illustrates with examples that such 'artificial' proteins may be generated by identifying peptides with 'similar structural environment' and by using comparative protein modeling and validation studies. Our analysis suggests that natural proteins may be tolerant to accommodating such peptides.

Elastic, plastic, fracture analysis of masonry arches: A multi-span bridge case study

NASA Astrophysics Data System (ADS)

Lacidogna, Giuseppe; Accornero, Federico

2018-01-01

In this work a comparison is presented between elastic, plastic, and fracture analysis of the monumental arch bridge of Porta Napoli, Taranto (Italy). By means of a FEM model and applying the Mery's Method, the behavior of the curved structure under service loads is verified, while considering the Safe Theorem approach byHeyman, the ultimate carrying capacity of the structure is investigated. Moreover, by using Fracture Mechanics concepts, the damage process which takes place when the conditions assessed through linear elastic analysis are no longer valid, and before the set-in of the conditions established by means of the plastic limit analysis, is numerically analyzed. The study of these transitions returns an accurate and effective whole service life assessment of the Porta Napoli masonry arch bridge.

Synthesis, structural, thermal and Hirshfeld surface analysis of novel [1,2,4]triazolo[3,4-b][1,3,4] thiadiazine carrying 1,4-benzothiazine-3-one moiety

NASA Astrophysics Data System (ADS)

Shruthi, C.; Ravindrachary, V.; Guruswamy, B.; Lokanath, N. K.; Kumara, Karthik; Goveas, Janet

2018-05-01

Needle shaped single crystal of the title compound was grown by slow evaporation solution growth technique using ethanol as solvent. The grown single crystal was characterized using FT-IR, Single crystal XRD and Thermal analysis. The FT-IR spectrum confirms the molecular structure and identifies the different functional groups present in the compound. Single crystal XRD study reveals that the crystallized compound belongs to the monoclinic crystal system with P21/c space group and the corresponding cell parameters were identified. The thermal stability of the material was determined using both TGA and DTA analysis. The intermolecular interaction of each individual atom in the crystal lattice was estimated using Hirshfeld surface and finger print analysis.

Vibro-acoustic analysis of composite plates

NASA Astrophysics Data System (ADS)

Sarigül, A. S.; Karagözlü, E.

2014-03-01

Vibro-acoustic analysis plays a vital role on the design of aircrafts, spacecrafts, land vehicles and ships produced from thin plates backed by closed cavities, with regard to human health and living comfort. For this type of structures, it is required a coupled solution that takes into account structural-acoustic interaction which is crucial for sensitive solutions. In this study, coupled vibro-acoustic analyses of plates produced from composite materials have been performed by using finite element analysis software. The study has been carried out for E-glass/Epoxy, Kevlar/Epoxy and Carbon/Epoxy plates with different ply angles and numbers of ply. The effects of composite material, ply orientation and number of layer on coupled vibro-acoustic characteristics of plates have been analysed for various combinations. The analysis results have been statistically examined and assessed.

Study on model design and dynamic similitude relations of vibro-acoustic experiment for elastic cavity

NASA Astrophysics Data System (ADS)

Shi, Ao; Lu, Bo; Yang, Dangguo; Wang, Xiansheng; Wu, Junqiang; Zhou, Fangqi

2018-05-01

Coupling between aero-acoustic noise and structural vibration under high-speed open cavity flow-induced oscillation may bring about severe random vibration of the structure, and even cause structure to fatigue destruction, which threatens the flight safety. Carrying out the research on vibro-acoustic experiments of scaled down model is an effective means to clarify the effects of high-intensity noise of cavity on structural vibration. Therefore, in allusion to the vibro-acoustic experiments of cavity in wind tunnel, taking typical elastic cavity as the research object, dimensional analysis and finite element method were adopted to establish the similitude relations of structural inherent characteristics and dynamics for distorted model, and verifying the proposed similitude relations by means of experiments and numerical simulation. Research shows that, according to the analysis of scale-down model, the established similitude relations can accurately simulate the structural dynamic characteristics of actual model, which provides theoretic guidance for structural design and vibro-acoustic experiments of scaled down elastic cavity model.

Structural Design of Ares V Interstage Composite Structure

NASA Technical Reports Server (NTRS)

Sleigh, David W.; Sreekantamurthy, Thammaiah; Kosareo, Daniel N.; Martin, Robert A.; Johnson, Theodore F.

2011-01-01

Preliminary and detailed design studies were performed to mature composite structural design concepts for the Ares V Interstage structure as a part of NASA s Advanced Composite Technologies Project. Aluminum honeycomb sandwich and hat-stiffened composite panel structural concepts were considered. The structural design and analysis studies were performed using HyperSizer design sizing software and MSC Nastran finite element analysis software. System-level design trade studies were carried out to predict weight and margins of safety for composite honeycomb-core sandwich and composite hat-stiffened skin design concepts. Details of both preliminary and detailed design studies are presented in the paper. For the range of loads and geometry considered in this work, the hat-stiffened designs were found to be approximately 11-16 percent lighter than the sandwich designs. A down-select process was used to choose the most favorable structural concept based on a set of figures of merit, and the honeycomb sandwich design was selected as the best concept based on advantages in manufacturing cost.

Heat Transfer Principles in Thermal Calculation of Structures in Fire

PubMed Central

Zhang, Chao; Usmani, Asif

2016-01-01

Structural fire engineering (SFE) is a relatively new interdisciplinary subject, which requires a comprehensive knowledge of heat transfer, fire dynamics and structural analysis. It is predominantly the community of structural engineers who currently carry out most of the structural fire engineering research and design work. The structural engineering curriculum in universities and colleges do not usually include courses in heat transfer and fire dynamics. In some institutions of higher education, there are graduate courses for fire resistant design which focus on the design approaches in codes. As a result, structural engineers who are responsible for structural fire safety and are competent to do their jobs by following the rules specified in prescriptive codes may find it difficult to move toward performance-based fire safety design which requires a deep understanding of both fire and heat. Fire safety engineers, on the other hand, are usually focused on fire development and smoke control, and may not be familiar with the heat transfer principles used in structural fire analysis, or structural failure analysis. This paper discusses the fundamental heat transfer principles in thermal calculation of structures in fire, which might serve as an educational guide for students, engineers and researchers. Insights on problems which are commonly ignored in performance based fire safety design are also presented. PMID:26783379

The wavelet transform as an analysis tool for structure identification in molecular clouds

NASA Astrophysics Data System (ADS)

Gill, Arnold Gerald

1993-01-01

Of the many methods used to attempt to understand the complex structure of giant molecular clouds, perhaps the most commonly used are the autocorrelation functions (ACF), the structure function, and the power spectrum. However, these do not give unique interpretations of structure, as is shown by explicit examples compared to the Taurus Molecular Complex. Thus, another, independent method of analysis is indicated. Here, the wavelet transform is presented, a relatively new technique less than 10 years old. It can be thought of as a band-pass filter that identifies structures of specific sizes. In addition, its mathematical properties allow it to be used to identify fractal structures and accurately identify the scaling exponent. This is shown by the wavelet transform identifying the fractal dimension of a hierarchical rain cloud model first proposed by Frisch et al. (1978). A wavelet analysis is then carried out for a range of astronomical CO data, including the clouds Orion A and B and NGC 7538 (in (12)CO) and Orion A and B, Mon R2, and L1551 (in (13)CO). The data analyzed consists of the velocities of the fitted Gaussians to the individual spectra, the halfwidths and amplitude of these Gaussians, and the total area of the spectral line. For most of the clouds investigated, each of these data types showed a very high degree of scaling coherence over a wide range of scales, from down at the beam spacing up to the full size of the cloud. The analysis carried out uses both the scaling and structure identification strengths of the wavelet transform The fragmentation parameters used by Scalo (1985) and the parameters of the geometric molecular cloud description introduced by Henriksen (1986) are calculated for each cloud. These results are all consistent with previous observations of these and other molecular clouds, though they are obtained individually for each cloud investigated. It is found that the uncertainties are of a magnitude that the differentiation of various theories of molecular cloud structure is not possible. It is noted that the effects of projection and superposition strongly affect the values of some of these parameters, thus hampering a thorough understanding of the underlying physics. The strengths and weaknesses of the wavelet transform in the analysis of molecular cloud data are presented, as well as directions for future work.

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

NASA Astrophysics Data System (ADS)

Arı, Hatice; Özpozan, Talat

2016-01-01

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

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

PubMed

Arı, Hatice; Özpozan, Talat

2016-01-05

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

Scanning probe microscopy in mineralogical studies: about origin of the observed roughness of natural silica-rich glasses

NASA Astrophysics Data System (ADS)

Golubev, Ye A.; Isaenko, S. I.

2017-10-01

We have studied different mineralogical objects: natural glasses of impact (tektites, impactites) and volcanic (obsidians) origin, using atomic force microscopy, X-ray microanalysis, infrared and Raman spectroscopy. The spectroscopy showed the difference in the structure and chemical composition of the glasses of different origin. The analysis of the dependence of nanoscale heterogeneity of the glasses, revealed by the atomic force microscopy, on their structural and chemical features was carried out.

Evaluation of stereo-array isotope labeling (SAIL) patterns for automated structural analysis of proteins with CYANA.

PubMed

Ikeya, Teppei; Terauchi, Tsutomu; Güntert, Peter; Kainosho, Masatsune

2006-07-01

Recently we have developed the stereo-array isotope labeling (SAIL) technique to overcome the conventional molecular size limitation in NMR protein structure determination by employing complete stereo- and regiospecific patterns of stable isotopes. SAIL sharpens signals and simplifies spectra without the loss of requisite structural information, thus making large classes of proteins newly accessible to detailed solution structure determination. The automated structure calculation program CYANA can efficiently analyze SAIL-NOESY spectra and calculate structures without manual analysis. Nevertheless, the original SAIL method might not be capable of determining the structures of proteins larger than 50 kDa or membrane proteins, for which the spectra are characterized by many broadened and overlapped peaks. Here we have carried out simulations of new SAIL patterns optimized for minimal relaxation and overlap, to evaluate the combined use of SAIL and CYANA for solving the structures of larger proteins and membrane proteins. The modified approach reduces the number of peaks to nearly half of that observed with uniform labeling, while still yielding well-defined structures and is expected to enable NMR structure determinations of these challenging systems.

An adjoint method of sensitivity analysis for residual vibrations of structures subject to impacts

NASA Astrophysics Data System (ADS)

Yan, Kun; Cheng, Gengdong

2018-03-01

For structures subject to impact loads, the residual vibration reduction is more and more important as the machines become faster and lighter. An efficient sensitivity analysis of residual vibration with respect to structural or operational parameters is indispensable for using a gradient based optimization algorithm, which reduces the residual vibration in either active or passive way. In this paper, an integrated quadratic performance index is used as the measure of the residual vibration, since it globally measures the residual vibration response and its calculation can be simplified greatly with Lyapunov equation. Several sensitivity analysis approaches for performance index were developed based on the assumption that the initial excitations of residual vibration were given and independent of structural design. Since the resulting excitations by the impact load often depend on structural design, this paper aims to propose a new efficient sensitivity analysis method for residual vibration of structures subject to impacts to consider the dependence. The new method is developed by combining two existing methods and using adjoint variable approach. Three numerical examples are carried out and demonstrate the accuracy of the proposed method. The numerical results show that the dependence of initial excitations on structural design variables may strongly affects the accuracy of sensitivities.

Electronic structure and pair potential energy analysis of 4-n-methoxy-4′-cyanobiphenyl: A nematic liquid crystal

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

Sharma, Dipendra, E-mail: d-11sharma@rediffmail.com; Tiwari, S. N., E-mail: sntiwari123@rediffmail.com; Dwivedi, M. K., E-mail: dwivedi-ji@gmail.com

2016-05-06

Electronic structure properties of 4-n-methoxy-4′-cyanobiphenyl, a pure nematic liquid crystal have been examined using an ab‒initio, HF/6‒31G(d,p) technique with GAMESS program. Conformational and charge distribution analysis have been carried out. MEP, HOMO and LUMO surfaces have been scanned. Ionization potential, electron affinity, electronegativity, global hardness and softness of the liquid crystal molecule have been calculated. Further, stacking, side by side and end to end interactions between a molecular pair have been evaluated. Results have been used to elucidate the physico-chemical and liquid crystalline properties of the system.

The different conformations and crystal structures of dihydroergocristine

NASA Astrophysics Data System (ADS)

Mönch, B.; Kraus, W.; Köppen, R.; Emmerling, F.

2016-02-01

The identification of different forms of dihydroergocristine (DHEC) was carried out by crystallization from different organic solvents. DHEC was identified as potential template for molecularly imprinted polymers (MIPs) for the epimeric specific analysis of ergot alkaloids (EAs) in food. DHEC was crystallized from different solvents in order to mimic the typical MIP synthesis conditions. Four new solvatomorphs of DHEC were obtained. All solvatomorphs contain a water molecule in the crystal structure, whereas three compounds contain an additional solvent molecule. Based on the conformation of DHEC a comparison with typical EA molecules was possible. The analysis showed that DHEC is a suitable template for MIPs for EAs.

A Confirmatory Factor Analysis of the Structure of Statistics Anxiety Measure: An examination of four alternative models

PubMed Central

Vahedi, Shahram; Farrokhi, Farahman

2011-01-01

Objective The aim of this study is to explore the confirmatory factor analysis results of the Persian adaptation of Statistics Anxiety Measure (SAM), proposed by Earp. Method The validity and reliability assessments of the scale were performed on 298 college students chosen randomly from Tabriz University in Iran. Confirmatory factor analysis (CFA) was carried out to determine the factor structures of the Persian adaptation of SAM. Results As expected, the second order model provided a better fit to the data than the three alternative models. Conclusions Hence, SAM provides an equally valid measure for use among college students. The study both expands and adds support to the existing body of math anxiety literature. PMID:22952530

Effect of a Near Fault on the Seismic Response of a Base-Isolated Structure with a Soft Storey

NASA Astrophysics Data System (ADS)

Athamnia, B.; Ounis, A.; Abdeddaim, M.

2017-12-01

This study focuses on the soft-storey behavior of RC structures with lead core rubber bearing (LRB) isolation systems under near and far-fault motions. Under near-fault ground motions, seismic isolation devices might perform poorly because of large isolator displacements caused by large velocity and displacement pulses associated with such strong motions. In this study, four different structural models have been designed to study the effect of soft-storey behavior under near-fault and far-fault motions. The seismic analysis for isolated reinforced concrete buildings is carried out using a nonlinear time history analysis method. Inter-story drifts, absolute acceleration, displacement, base shear forces, hysteretic loops and the distribution of plastic hinges are examined as a result of the analysis. These results show that the performance of a base isolated RC structure is more affected by increasing the height of a story under nearfault motion than under far-fault motion.

Structural analysis of bioceramic materials for denture application

NASA Astrophysics Data System (ADS)

Rauf, Nurlaela; Tahir, Dahlang; Arbiansyah, Muhammad

2016-03-01

Structural analysis has been performed on bioceramic materials for denture application by using X-ray diffraction (XRD), X-ray fluorescence (XRF), and Scanning Electron Microscopy (SEM). XRF is using for analysis chemical composition of raw materials. XRF shows the ratio 1 : 1 : 1 : 1 between feldspar, quartz, kaolin and eggshell, respectively, resulting composition CaO content of 56.78 %, which is similar with natural tooth. Sample preparation was carried out on temperature of 800 °C, 900 °C and 1000 °C. X-ray diffraction result showed that the structure is crystalline with trigonal crystal system for SiO2 (a=b=4.9134 Å and c=5.4051 Å) and CaH2O2 (a=b=3.5925 Å and c=4.9082 Å). Based on the Scherrer's equation showed the crystallite size of the highest peak (SiO2) increase with increasing the temperature preparation. The highest hardness value (87 kg/mm2) and match with the standards of dentin hardness. The surface structure was observed by using SEM also discussed.

Structural and Mössbauer analysis of pure and Ce-Dy doped cobalt ferrite nanoparticles

NASA Astrophysics Data System (ADS)

Hashim, Mohd.; Meena, Sher Singh; Kumar, Shalendra; Ahmed, Ateeq; Bhatt, Pramod

2018-05-01

Ce and Dy doped Cobalt ferrites with the chemical composition CoCexDyxFe2-2xO4 (x = 0.00 and 0.04) were synthesized via the chemical route using citrate-gel auto-combustion method. The structural analysis has been carried out with the help of x-ray diffraction (XRD). Formation of spinel cubic structure of the ferrites was confirmed by XRD analysis. Mössbauer spectra were recorded for both samples at room temperature. Presence of the well resolved sextet spectra corresponding to A and B sub-lattice clearly shows that both the samples have ferrimagnetic ordering at room temperature. Isomer shift observed from fitting of the Mössbauer spectra infers that Fe3+ ions are in high valence state. The decrease in the hyperfine field due to the doping of Ce and Dy clearly showed that magnetic interactions diluted due to the doping of Ce and Dy ions.

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

NASA Technical Reports Server (NTRS)

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

1978-01-01

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

Analysis of HD 73045 light curve data

NASA Astrophysics Data System (ADS)

Das, Mrinal Kanti; Bhatraju, Naveen Kumar; Joshi, Santosh

2018-04-01

In this work we analyzed the Kepler light curve data of HD 73045. The raw data has been smoothened using standard filters. The power spectrum has been obtained by using a fast Fourier transform routine. It shows the presence of more than one period. In order to take care of any non-stationary behavior, we carried out a wavelet analysis to obtain the wavelet power spectrum. In addition, to identify the scale invariant structure, the data has been analyzed using a multifractal detrended fluctuation analysis. Further to characterize the diversity of embedded patterns in the HD 73045 flux time series, we computed various entropy-based complexity measures e.g. sample entropy, spectral entropy and permutation entropy. The presence of periodic structure in the time series was further analyzed using the visibility network and horizontal visibility network model of the time series. The degree distributions in the two network models confirm such structures.

Damage Tolerance Applied to Design of Mid-Size Aircraft

NASA Astrophysics Data System (ADS)

Chaves, Carlos Eduardo

Most of the mid-size aircraft are certified according to FAA Part 25 requirements, and in order to comply with these requirements the majority of the aircraft structure must be damage tolerant. To assure damage tolerance, despite the overall structural behavior, one should look at the details. There is a great amount of analysis tasks and tests that must be carried out in order to guarantee the aircraft structural integrity. This paper presents an overview of Embraer experience with design and analysis for damage tolerance during the last 30 years. Aspects like DT analysis for metallic and composite structures, selection of appropriate materials, loads, definition of limits of validity and definition of inspection intervals will be addressed along this work. Selected structural tests that have been performed for validation of modeling predictions will be presented. Some aspects to be discussed are related to the design differences between commercial jets, which are usually subjected to high usage conditions, business jets and military aircraft. Further, the application of future technologies, such as structural health monitoring, and also of new materials and manufacturing processes that have been evaluated in order to improve the damage tolerance capability of the aircraft structures will be discussed.

Identification of Historical Veziragasi Aqueduct Using the Operational Modal Analysis

PubMed Central

Ercan, E.; Nuhoglu, A.

2014-01-01

This paper describes the results of a model updating study conducted on a historical aqueduct, called Veziragasi, in Turkey. The output-only modal identification results obtained from ambient vibration measurements of the structure were used to update a finite element model of the structure. For the purposes of developing a solid model of the structure, the dimensions of the structure, defects, and material degradations in the structure were determined in detail by making a measurement survey. For evaluation of the material properties of the structure, nondestructive and destructive testing methods were applied. The modal analysis of the structure was calculated by FEM. Then, a nondestructive dynamic test as well as operational modal analysis was carried out and dynamic properties were extracted. The natural frequencies and corresponding mode shapes were determined from both theoretical and experimental modal analyses and compared with each other. A good harmony was attained between mode shapes, but there were some differences between natural frequencies. The sources of the differences were introduced and the FEM model was updated by changing material parameters and boundary conditions. Finally, the real analytical model of the aqueduct was put forward and the results were discussed. PMID:24511287

Spectroscopic and structural study of the newly synthesized heteroligand complex of copper with creatinine and urea.

PubMed

Gangopadhyay, Debraj; Singh, Sachin Kumar; Sharma, Poornima; Mishra, Hirdyesh; Unnikrishnan, V K; Singh, Bachcha; Singh, Ranjan K

2016-02-05

Study of copper complex of creatinine and urea is very important in life science and medicine. In this paper, spectroscopic and structural study of a newly synthesized heteroligand complex of copper with creatinine and urea has been discussed. Structural studies have been carried out using DFT calculations and spectroscopic analyses were carried out by FT-IR, Raman, UV-vis absorption and fluorescence techniques. The copper complex of creatinine and the heteroligand complex were found to have much increased water solubility as compared to pure creatinine. The analysis of FT-IR and Raman spectra helps to understand the coordination properties of the two ligands and to determine the probable structure of the heteroligand complex. The LIBS spectra of the heteroligand complex reveal that the complex is free from other metal impurities. UV-visible absorption spectra and the fluorescence emission spectra of the aqueous solution of Cu-Crn-urea heteroligand complex at different solute concentrations have been analyzed and the complex is found to be rigid and stable in its monomeric form at very low concentrations. Copyright © 2015 Elsevier B.V. All rights reserved.

Structural analysis of Herbaspirillum seropedicae lipid-A and of two mutants defective to colonize maize roots.

PubMed

Serrato, Rodrigo V; Balsanelli, Eduardo; Sassaki, Guilherme L; Carlson, Russell W; Muszynski, Artur; Monteiro, Rose A; Pedrosa, Fábio O; Souza, Emanuel M; Iacomini, Marcello

2012-11-01

Lipid-A was isolated by mild acid hydrolysis from lipopolysaccharides extracted from cells of Herbaspirillum seropedicae, strain SMR1, and from two mutants deficient in the biosynthesis of rhamnose (rmlB⁻ and rmlC⁻). Structural analyzes were carried out using MALDI-TOF and derivatization by per-O-trimethylsilylation followed by GC-MS in order to determine monosaccharide and fatty acid composition. De-O-acylation was also performed to determine the presence of N-linked fatty acids. Lipid-A from H. seropedicae SMR1 showed a major structure comprising 2-amino-2-deoxy-glucopyranose-(1→6)-2-amino-2-deoxy-glucopyranose phosphorylated at C4' and C1 positions, each carrying a unit of 4-amino-4-deoxy-arabinose. C2 and C2' positions were substituted by amide-linked 3-hydroxy-dodecanoic acids. Both rhamnose-defective mutants showed similar structure for their lipid-A moieties, except for the lack of 4-amino-4-deoxy-arabinose units attached to phosphoryl groups. Copyright © 2012 Elsevier B.V. All rights reserved.

Reflectance spectra characteristics from an SPR grating fabricated by nano-imprint lithography technique for biochemical nanosensor applications

NASA Astrophysics Data System (ADS)

Setiya Pradana, Jalu; Hidayat, Rahmat

2018-04-01

In this paper, we report our research work on developing a Surface Plasmon Resonance (SPR) element with sub-micron (hundreds of nanometers) periodicity grating structure. This grating structure was fabricated by using a simple nano-imprint lithography technique from an organically siloxane polymers, which was then covered by nanometer thin gold layer. The formed grating structure was a very well defined square-shaped periodic structure. The measured reflectance spectra indicate the SPR wave excitation on this grating structure. For comparison, the simulations of reflectance spectra have been also carried out by using Rigorous Coupled-Wave Analysis (RCWA) method. The experimental results are in very good agreement with the simulation results.

Integrated source and channel encoded digital communication system design study

NASA Technical Reports Server (NTRS)

Udalov, S.; Huth, G. K.

1977-01-01

The analysis of the forward link signal structure for the shuttle orbiter Ku-band communication system was carried out, based on the assumptions of a 3.03 Mcps PN code. It is shown that acquisition requirements for the forward link can be met at the acquisition threshold C/N0 sub 0 value of about 60 dB-Hz, which corresponds to a bit error rate (BER) of about 0.001. It is also shown that the tracking threshold for the forward link is at about 57 dB-Hz. The analysis of the bent pipe concept for the orbiter was carried out, along with the comparative analysis of the empirical data. The complexity of the analytical approach warrants further investigation to reconcile the empirical and theoretical results. Techniques for incorporating a text and graphics capability into the forward link data stream are considered and a baseline configuration is described.

Design, Static Analysis And Fabrication Of Composite Joints

NASA Astrophysics Data System (ADS)

Mathiselvan, G.; Gobinath, R.; Yuvaraja, S.; Raja, T.

2017-05-01

The Bonded joints will be having one of the important issues in the composite technology is the repairing of aging in aircraft applications. In these applications and also for joining various composite material parts together, the composite materials fastened together either using adhesives or mechanical fasteners. In this paper, we have carried out design, static analysis of 3-D models and fabrication of the composite joints (bonded, riveted and hybrid). The 3-D model of the composite structure will be fabricated by using the materials such as epoxy resin, glass fibre material and aluminium rivet for preparing the joints. The static analysis was carried out with different joint by using ANSYS software. After fabrication, parametric study was also conducted to compare the performance of the hybrid joint with varying adherent width, adhesive thickness and overlap length. Different joint and its materials tensile test result have compared.

Substructure analysis using NICE/SPAR and applications of force to linear and nonlinear structures. [spacecraft masts

NASA Technical Reports Server (NTRS)

Razzaq, Zia; Prasad, Venkatesh; Darbhamulla, Siva Prasad; Bhati, Ravinder; Lin, Cai

1987-01-01

Parallel computing studies are presented for a variety of structural analysis problems. Included are the substructure planar analysis of rectangular panels with and without a hole, the static analysis of space mast, using NICE/SPAR and FORCE, and substructure analysis of plane rigid-jointed frames using FORCE. The computations are carried out on the Flex/32 MultiComputer using one to eighteen processors. The NICE/SPAR runstream samples are documented for the panel problem. For the substructure analysis of plane frames, a computer program is developed to demonstrate the effectiveness of a substructuring technique when FORCE is enforced. Ongoing research activities for an elasto-plastic stability analysis problem using FORCE, and stability analysis of the focus problem using NICE/SPAR are briefly summarized. Speedup curves for the panel, the mast, and the frame problems provide a basic understanding of the effectiveness of parallel computing procedures utilized or developed, within the domain of the parameters considered. Although the speedup curves obtained exhibit various levels of computational efficiency, they clearly demonstrate the excellent promise which parallel computing holds for the structural analysis problem. Source code is given for the elasto-plastic stability problem and the FORCE program.

Cognitive task analysis and innovation of training: the case of structured troubleshooting.

PubMed

Schaafstal, A; Schraagen, J M; van Berlo, M

2000-01-01

Troubleshooting is often a time-consuming and difficult activity. The question of how the training of novice technicians can be improved was the starting point of the research described in this article. A cognitive task analysis was carried out consisting of two preliminary observational studies on troubleshooting in naturalistic settings, combined with an interpretation of the data obtained in the context of the existing literature. On the basis of this cognitive task analysis, a new method for the training of troubleshooting was developed (structured troubleshooting), which combines a domain-independent strategy for troubleshooting with a context-dependent, multiple-level, functional decomposition of systems. This method has been systematically evaluated for its use in training. The results show that technicians trained in structured troubleshooting solve twice as many malfunctions, in less time, than those trained in the traditional way. Moreover, structured troubleshooting can be taught in less time than can traditional troubleshooting. Finally, technicians learn to troubleshoot in an explicit and uniform way. These advantages of structured troubleshooting ultimately lead to a reduction in training and troubleshooting costs.

Structures for the 3rd Generation Reusable Concept Vehicle

NASA Technical Reports Server (NTRS)

Hrinda, Glenn A.

2001-01-01

A major goal of NASA is to create an advance space transportation system that provides a safe, affordable highway through the air and into space. The long-term plans are to reduce the risk of crew loss to 1 in 1,000,000 missions and reduce the cost of Low-Earth Orbit by a factor of 100 from today's costs. A third generation reusable concept vehicle (RCV) was developed to assess technologies required to meet NASA's space access goals. The vehicle will launch from Cape Kennedy carrying a 25,000 lb. payload to the International Space Station (ISS). The system is an air breathing launch vehicle (ABLV) hypersonic lifting body with rockets and uses triple point hydrogen and liquid oxygen propellant. The focus of this paper is on the structural concepts and analysis methods used in developing the third generation reusable launch vehicle (RLV). Member sizes, concepts and material selections will be discussed as well as analysis methods used in optimizing the structure. Analysis based on the HyperSizer structural sizing software will be discussed. Design trades required to optimize structural weight will be presented.

Non-Metallic Ti Oxides and MnS/FeS2 Complex Precipitation in Ti-Killed Steel

NASA Astrophysics Data System (ADS)

Chen, Jieyun; Zhao, Dan; Li, Huigai; Zheng, Shaobo

Titanium deoxidized experiments can be carried in vacuum induction furnace by adding Ti-Fe alloy in molten steel to simulate strip casting. Sub-rapid solidification samples were obtained in the method of suing copper mold. The morphology, the chemical composition and the structures of nanometer precipitations were carried out to investigate by transmission electron microscope (TEM) with Energy Dispersive X ray Spectrum (EDX) and by collecting diffraction patterns with carbon extraction specimens. It has been found that titanium oxides were TiO monoclinic, Ti4O7 anorthic and TiO2 orthogonal structure in one nanometer inclusion, as the composite oxide was precipitated MnS/FeS2 cubic structure during sub-rapid solidification. Thermodynamic calculation analysis showed that it was possible to precipitate different kinds of nonstoichiometric TiOx. The solid solution between MnS/FeS2 will precipitate on the surface of titanium oxides because of good coherency relationship.

The Novaco Anger Scale--Provocation Inventory (1994 Version) in Dutch Forensic Psychiatric Patients

ERIC Educational Resources Information Center

Hornsveld, Ruud H. J.; Muris, Peter; Kraaimaat, Floris W.

2011-01-01

We examined the psychometric properties of the Novaco Anger Scale--Provocation Inventory (NAS-PI, 1994 version) in Dutch violent forensic psychiatric patients and secondary vocational students. A confirmatory factor analysis of the subscale structure of the NAS was carried out, reliability was investigated, and relations were calculated between…

Governing "Eco-Certified Children" through Pastoral Power: Critical Perspectives on Education for Sustainable Development

ERIC Educational Resources Information Center

Ideland, Malin; Malmberg, Claes

2015-01-01

This article analyses how "eco-certified children" are constructed as desirable subjects in teaching materials addressing education for sustainable development. We are interested in how discourses structure this cherished practice and how this practice has become "natural" and obvious for us. A discourse analysis is carried out…

Investigation of antigen-antibody interactions of sulfonamides with a monoclonal antibody in a fluorescence polarization immunoassay using 3D-QSAR models

USDA-ARS?s Scientific Manuscript database

A three-dimensional quantitative structure-activity relationship (3D-QSAR) model of sulfonamide analogs binding a monoclonal antibody (MAbSMR) produced against sulfamerazine was carried out by Distance Comparison (DISCOtech), comparative molecular field analysis (CoMFA), and comparative molecular si...

Edge-defined film-fed growth of thin silicon sheets

NASA Technical Reports Server (NTRS)

Ettouney, H. M.; Kalejs, J. P.

1984-01-01

Finite element analysis was used on two length scales to understand crystal growth of thin silicon sheets. Thermal-capillary models of entire ribbon growth systems were developed. Microscopic modeling of morphological structure of melt/solid interfaces beyond the point of linear instability was carried out. The application to silicon system is discussed.

Testing an Instructional Model in a University Educational Setting from the Student's Perspective

ERIC Educational Resources Information Center

Betoret, Fernando Domenech

2006-01-01

We tested a theoretical model that hypothesized relationships between several variables from input, process and product in an educational setting, from the university student's perspective, using structural equation modeling. In order to carry out the analysis, we measured in sequential order the input (referring to students' personal…

How Distributed Leadership Can Make a Difference in Teachers' Organizational Commitment? A Qualitative Study

ERIC Educational Resources Information Center

Hulpia, Hester; Devos, Geert

2010-01-01

The present study explores the relation between distributed leadership and teachers' organizational commitment. Semi-structured interviews with teachers and school leaders of secondary schools were conducted. A comparative analysis of four schools with high and four schools with low committed teachers was carried out. Findings revealed differences…

Analysis of Communication and Dissemination Channels Influencing the Adoption of Integrated Soil Fertility Management in Western Kenya

ERIC Educational Resources Information Center

Adolwa, Ivan S.; Okoth, Peter F.; Mulwa, Richard M.; Esilaba, Anthony O.; Mairura, Franklin S.; Nambiro, Elizabeth

2012-01-01

Purpose: The following study was carried out to evaluate the socio-economic factors influencing access to Integrated Soil Fertility Management (ISFM) information and knowledge among farmers in western Kenya, and subsequent ISFM uptake with a view to assessing communication gaps. Design/Methodology/Approach: Structured questionnaires were…

Two-car impact test of crash energy management passenger rail cars : analysis of occupant protection measurements

DOT National Transportation Integrated Search

2004-11-13

As a part of ongoing passenger rail equipment safety research, a full-scale impact test of two cars with energy absorbing end structures was carried out on February 26, 2004. In this test, two coupled cars impacted a rigid barrier at 29 mph. Similar ...

The Darzens Condensation: Structure Determination through Spectral Analysis and Understanding Substrate Reactivity

ERIC Educational Resources Information Center

Crouch, R. David; Holden, Michael S.; Romany, Candice A.

2004-01-01

The use of KOH and a phase transfer catalyst to achieve diastereoselective Darzens condensation is described and a modification of the method for use in organic chemistry is carried out. The experiment involves the condensation of t-butyl chloroacentate and p-tolualdehyde with KOH and benzyltriethylammonium chloride in THF.

Turkish High School Teachers' Conceptions of Creativity in Mathematics

ERIC Educational Resources Information Center

Aktas, Meral Cansiz

2016-01-01

The aim of this research is to explore Turkish high school teachers' conceptions of creativity in mathematics. The research was carried out using qualitative research methods. The sample consisted of seven mathematics teachers, and semi-structured interviews were used as a data collection tool. Analysis of the responses indicated that mathematics…

Social Structure and Black Family Life: An Analysis of Current Trends.

ERIC Educational Resources Information Center

Staples, Robert

1987-01-01

The crisis of the Black family is actually the crisis of the Black male and his inability to carry out the normative responsibilities of husband and father in the nuclear family. The family's disintegration is a symptom of the institutional decimation of Black males, the legacy of institutional racism. (LHW)

Scientific Journals of Universities of Chile, Colombia, and Venezuela: Actors and Roles

ERIC Educational Resources Information Center

Delgado, Jorge Enrique

2014-01-01

A qualitative study was carried out to identify the roles of actors associated with the publication of scientific journals in Chilean, Colombian, and Venezuelan universities. Twenty-four semi-structured in-depth interviews were conducted with journal editors, university authorities, and other experts. The categories of analysis included university…

Vibration analysis of beams traversed by uniform partially distributed moving masses

NASA Astrophysics Data System (ADS)

Esmailzadeh, E.; Ghorashi, M.

1995-07-01

An investigation into the dynamic behavior of beams with simply supported boundary conditions, carrying either uniform partially distributed moving masses or forces, has been carried out. The present analysis in its general form may well be applied to beams with various boundary conditions. However, the results from the computer simulation model given in this paper are for beams with simply supported end conditions. Results from the numerical solutions of the differential equations of motion are shown graphically and their close agreement, in some extreme cases, with those published previously by the authors is demonstrated. It is shown that the inertial effect of the moving mass is of importance in the dynamic behavior of such structures. Moreover, when considering the maximum deflection for the mid-span of the beam, the critical speeds of the moving load have been evaluated. It is also verified that the length of the distributed moving mass affects the dynamic response considerably. These effects are shown to be of significant practical importance when designing beam-type structures such as long suspension and railway bridges.

Structural analysis and localization of the carbohydrate moieties of a soluble human interferon gamma receptor produced in baculovirus-infected insect cells.

PubMed Central

Manneberg, M.; Friedlein, A.; Kurth, H.; Lahm, H. W.; Fountoulakis, M.

1994-01-01

A soluble form of the human interferon gamma receptor that is required for the identification of interferon gamma antagonists was expressed in baculovirus-infected insect cells. The protein carried N-linked carbohydrate and showed a heterogeneity on denaturing polyacrylamide gels. We investigated the utilization of the potential sites for N-linked glycosylation and the structure of the carbohydrate moieties of this soluble receptor. Amino acid sequence analysis and ion spray mass spectrometry revealed that of the five potential sites for N-linked glycosylation, Asn17 and Asn69 were always utilized, whereas Asn62 and Asn162 were utilized in approximately one-third of the protein population. Asn223 was never found to be glycosylated. The soluble receptor was treated with N-glycosidase F and the oligosaccharides released were analyzed by matrix-assisted laser desorption mass spectrometry, which showed that the protein carried six types of short carbohydrate chains. The predominant species was a hexasaccharide of molecular mass 1,039, containing a fucose subunit linked to the proximal N-acetylglucosamine residue: [formula: see text] PMID:8142896

Growth, structural, optical, thermal and laser damage threshold studies of an organic single crystal: 1,3,5 – triphenylbenzene (TPB)

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

Raja, R. Subramaniyan; Babu, G. Anandha; Ramasamy, P., E-mail: E-mail-ramasamyp@ssn.edu.in

2016-05-23

Good quality single crystals of pure hydrocarbon 1,3,5-Triphenylbenzene (TPB) have been successfully grown using toluene as a solvent using controlled slow cooling solution growth technique. TPB crystallizes in orthorhombic structure with the space group Pna2{sub 1}. The structural perfection of the grown crystal has been analysed by high resolution X-ray diffraction measurements. The range and percentage of the optical transmission are ascertained by recording the UV-vis spectrum. Thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) were used to study its thermal properties. Powder second harmonic generation studies were carried out to explore its NLO properties. Laser damage threshold valuemore » has been determined using Nd:YAG laser operating at 1064 nm.« less

Spectroscopic and structural properties of 2,2'-dipyridylamine and its palladium and platinum complexes

NASA Astrophysics Data System (ADS)

Yurdakul, Ş.; Bilkana, M. T.

2015-10-01

The structural features such as geometric parameters, vibration frequencies and intensities of the vibrational bands of 2,2'-dipyridylamine ligand (DPA), its palladium (Pd(DPA)Cl2) and platinum (Pt(DPA)Cl2) complexes were studied by the density functional theory (DFT). The calculations were carried out by DFT / B3LYP method with 6-311++G(d,p) and LANL2DZ basis sets. All vibrational frequencies assigned in detail with the help of total energy distribution analysis (TED). Optimized geometric bond lengths and bond angles were compared with experimental X-ray data. Using DPA, K2PtCl4, and Na2PdCl4, the synthesized complex structures were characterized by the combination of elemental analysis, FT-IR (mid and far IR) and Raman spectroscopy.

Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds?

NASA Astrophysics Data System (ADS)

Dimova, Dilyana; Bajorath, Jürgen

2017-07-01

Computational scaffold hopping aims to identify core structure replacements in active compounds. To evaluate scaffold hopping potential from a principal point of view, regardless of the computational methods that are applied, a global analysis of conventional scaffolds in analog series from compound activity classes was carried out. The majority of analog series was found to contain multiple scaffolds, thus enabling the detection of intra-series scaffold hops among closely related compounds. More than 1000 activity classes were found to contain increasing proportions of multi-scaffold analog series. Thus, using such activity classes for scaffold hopping analysis is likely to overestimate the scaffold hopping (core structure replacement) potential of computational methods, due to an abundance of artificial scaffold hops that are possible within analog series.

Synthesis and structural characterization of bulk Sb2Te3 single crystal

NASA Astrophysics Data System (ADS)

Sultana, Rabia; Gahtori, Bhasker; Meena, R. S.; Awana, V. P. S.

2018-05-01

We report the growth and characterization of bulk Sb2Te3 single crystal synthesized by the self flux method via solid state reaction route from high temperature melt (850˚C) and slow cooling (2˚C/hour) of constituent elements. The single crystal X-ray diffraction pattern showed the 00l alignment and the high crystalline nature of the resultant sample. The rietveld fitted room temperature powder XRD revealed the phase purity and rhombohedral structure of the synthesized crystal. The formation and analysis of unit cell structure further verified the rhombohedral structure composed of three quintuple layers stacked one over the other. The SEM image showed the layered directional growth of the synthesized crystal carried out using the ZEISS-EVOMA-10 scanning electron microscope The electrical resistivity measurement was carried out using the conventional four-probe method on a quantum design Physical Property Measurement System (PPMS). The temperature dependent electrical resistivity plot for studied Sb2Te3 single crystal depicts metallic behaviour in the absence of any applied magnetic field. The synthesis as well as the structural characterization of as grown Sb2Te3 single crystal is reported and discussed in the present letter.

MEMS cantilever based magnetic field gradient sensor

NASA Astrophysics Data System (ADS)

Dabsch, Alexander; Rosenberg, Christoph; Stifter, Michael; Keplinger, Franz

2017-05-01

This paper describes major contributions to a MEMS magnetic field gradient sensor. An H-shaped structure supported by four arms with two circuit paths on the surface is designed for measuring two components of the magnetic flux density and one component of the gradient. The structure is produced from silicon wafers by a dry etching process. The gold leads on the surface carry the alternating current which interacts with the magnetic field component perpendicular to the direction of the current. If the excitation frequency is near to a mechanical resonance, vibrations with an amplitude within the range of 1-103 nm are expected. Both theoretical (simulations and analytic calculations) and experimental analysis have been carried out to optimize the structures for different strength of the magnetic gradient. In the same way the impact of the coupling structure on the resonance frequency and of different operating modes to simultaneously measure two components of the flux density were tested. For measuring the local gradient of the flux density the structure was operated at the first symmetrical and the first anti-symmetrical mode. Depending on the design, flux densities of approximately 2.5 µT and gradients starting from 1 µT mm-1 can be measured.

Acoustic emission monitoring of concrete columns and beams strengthened with fiber reinforced polymer sheets

NASA Astrophysics Data System (ADS)

Ma, Gao; Li, Hui; Zhou, Wensong; Xian, Guijun

2012-04-01

Acoustic emission (AE) technique is an effective method in the nondestructive testing (NDT) field of civil engineering. During the last two decades, Fiber reinforced polymer (FRP) has been widely used in repairing and strengthening concrete structures. The damage state of FRP strengthened concrete structures has become an important issue during the service period of the structure and it is a meaningful work to use AE technique as a nondestructive method to assess its damage state. The present study reports AE monitoring results of axial compression tests carried on basalt fiber reinforced polymer (BFRP) confined concrete columns and three-point-bending tests carried on BFRP reinforced concrete beams. AE parameters analysis was firstly utilized to give preliminary results of the concrete fracture process of these specimens. It was found that cumulative AE events can reflect the fracture development trend of both BFRP confined concrete columns and BFRP strengthened concrete beams and AE events had an abrupt increase at the point of BFRP breakage. Then the fracture process of BFRP confined concrete columns and BFRP strengthened concrete beams was studied through RA value-average frequency analysis. The RA value-average frequency tendencies of BFRP confined concrete were found different from that of BFRP strengthened concrete beams. The variation tendency of concrete crack patterns during the loading process was revealed.

Total synthesis and antibacterial testing of the A54556 cyclic acyldepsipeptides isolated from Streptomyces hawaiiensis.

PubMed

Goodreid, Jordan D; Wong, Keith; Leung, Elisa; McCaw, Shannon E; Gray-Owen, Scott D; Lough, Alan; Houry, Walid A; Batey, Robert A

2014-10-24

The first total synthesis of all six known A54556 acyldepsipeptide (ADEP) antibiotics from Streptomyces hawaiiensis is reported. This family of compounds has a unique mechanism of antibacterial action, acting as activators of caseinolytic protease (ClpP). Assembly of the 16-membered depsipeptide core was accomplished via a pentafluorophenyl ester-based macrolactamization strategy. Late stage amine deprotection was carried out under neutral conditions by employing a mild hydrogenolysis strategy, which avoids the formation of undesired ring-opened depsipeptide side products encountered during deprotection of acid-labile protecting groups. The free amines were found to be significantly more reactive toward late stage amide bond formation as compared to the corresponding ammonium salts, giving final products in excellent yields. A thorough NMR spectroscopic analysis of these compounds was carried out to formally assign the structures and to aid with the spectroscopic assignment of ADEP analogues. The identity of two of the structures was confirmed by comparison with biologically produced samples from S. hawaiiensis. An X-ray crystallographic analysis of an ADEP analogue reveals a conformation similar to that found in cocrystal structures of ADEPs with ClpP protease. The degree of antibacterial activity of the different compounds was evaluated in vitro using MIC assays employing both Gram-positive and Gram-negative strains and a fluorescence-based biochemical assay.

Strength Analysis of Coconut Fiber Stabilized Earth for Farm Structures

NASA Astrophysics Data System (ADS)

Enokela, O. S.; P. O, Alada

2012-07-01

Investigation of the strength characteristic of soil from alluvial deposit of River Benue in makurdi stabilized with coconut fiber as a stabilizer was carried as local building material for farm structure. Processed coconut fibers were mixed with the soil at four different mix ratios of 1% fiber, 2% fiber, 3% fiber and 4% fiber by percentage weight with 0% fiber as control. Compaction test and compressive strength were carried out on the various stabilizing ratio. From the compaction test, the correlation between the maximum dry density and optimum moisture content is a second order polynomial with a coefficient of 63% obtained at1.91kg/m3and 20.0% respectively while the compressive strength test shows an optimum failure load of 8.62N/mm2 at 2%fibre:100% soil mix ratio at 2.16 maximum dry density.

Synthesis, crystal structure, vibrational spectra and theoretical calculations of quantum chemistry of a potential antimicrobial Meldrum's acid derivative

NASA Astrophysics Data System (ADS)

Campelo, M. J. M.; Freire, P. T. C.; Mendes Filho, J.; de Toledo, T. A.; Teixeira, A. M. R.; da Silva, L. E.; Bento, R. R. F.; Faria, J. L. B.; Pizani, P. S.; Gusmão, G. O. M.; Coutinho, H. D. M.; Oliveira, M. T. A.

2017-10-01

A new derivative of Meldrum's acid 5-((5-chloropyridin-2-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CYMM) of molecular formula C12H11ClN2O4 was synthesized and structurally characterized using single crystal X-ray diffraction technique. The vibrational properties of the crystal were studied by Fourier Transform infrared (FT-IR), Fourier Transform Raman (FT-Raman) techniques and theoretical calculations of quantum chemistry using Density functional theory (DFT) and Density functional perturbation theory (DFPT). A comparison with experimental spectra allowed the assignment of all the normal modes. The descriptions of the normal modes were carried by means of potential energy distribution (PED). Additionally, analysis of the antimicrobial activity and antibiotic resistance modulatory activity was carried out to evaluate the antibacterial potential of the CYMM.

Self-supporting method; an alternative method for steel truss bridge element replacement

NASA Astrophysics Data System (ADS)

Arsyad, Muhammad; Sangadji, Senot; As'ad, Sholihin

2017-11-01

Steel truss bridge often requires replacement of its element due to serious damage caused by traffic accidents. This replacement is carried out using temporary supporting structure. It would be difficult when the available space for the temporary structure is quite limited and or the position of work is at a high elevation. The self-supporting method is proposed instead of temporary supporting structure. This paper will discuss an innovative method of bridge rehabilitation by utilizing the existing bridge structure. It requires such temporary connecting structure that installed on the existing bridge element, therefore, the forces during replacement process could be transferred to the bridge foundation directly. By taking the case on a steel truss bridge Jetis Salatiga which requires element replacement due to its damages on two main diagonals, a modeling is carried out to get a proper repair method. Structural analysis is conducted for three temporary connecting structure models: “I,” “V,” and triangular model. Stresses and translations that occur in the structure are used as constraints. Bridge bearings are modeled in two different modes: fixed-fixed system and fixed-free one. Temperature load is given in each condition to obtain the appropriate time for execution. The triangular model is chosen as the best one. In the fixed-fixed mode, this method can be carried out in a temperature range 27-28.8° C, while in fixed-free one, the temperature it is allowed between 27-43.4 °C. The D4 is dismantled first by cutting the D4 leaving an area of 1140.2 mm2 or 127 mm web length to enable plastic condition until the D4 collapses. At the beginning of elongation occurs, immediately performed a slowly jacking on a temporary connecting structure so that the force on D4 is gradually transferred to the temporary connecting structure then the D4 and D5 are set in their place.

Atomistic cluster alignment method for local order mining in liquids and glasses

NASA Astrophysics Data System (ADS)

Fang, X. W.; Wang, C. Z.; Yao, Y. X.; Ding, Z. J.; Ho, K. M.

2010-11-01

An atomistic cluster alignment method is developed to identify and characterize the local atomic structural order in liquids and glasses. With the “order mining” idea for structurally disordered systems, the method can detect the presence of any type of local order in the system and can quantify the structural similarity between a given set of templates and the aligned clusters in a systematic and unbiased manner. Moreover, population analysis can also be carried out for various types of clusters in the system. The advantages of the method in comparison with other previously developed analysis methods are illustrated by performing the structural analysis for four prototype systems (i.e., pure Al, pure Zr, Zr35Cu65 , and Zr36Ni64 ). The results show that the cluster alignment method can identify various types of short-range orders (SROs) in these systems correctly while some of these SROs are difficult to capture by most of the currently available analysis methods (e.g., Voronoi tessellation method). Such a full three-dimensional atomistic analysis method is generic and can be applied to describe the magnitude and nature of noncrystalline ordering in many disordered systems.

X-Ray Astronomy

NASA Technical Reports Server (NTRS)

Wu, S. T.

2000-01-01

Dr. S. N. Zhang has lead a seven member group (Dr. Yuxin Feng, Mr. XuejunSun, Mr. Yongzhong Chen, Mr. Jun Lin, Mr. Yangsen Yao, and Ms. Xiaoling Zhang). This group has carried out the following activities: continued data analysis from space astrophysical missions CGRO, RXTE, ASCA and Chandra. Significant scientific results have been produced as results of their work. They discovered the three-layered accretion disk structure around black holes in X-ray binaries; their paper on this discovery is to appear in the prestigious Science magazine. They have also developed a new method for energy spectral analysis of black hole X-ray binaries; four papers on this topics were presented at the most recent Atlanta AAS meeting. They have also carried Monte-Carlo simulations of X-ray detectors, in support to the hardware development efforts at Marshall Space Flight Center (MSFC). These computation-intensive simulations have been carried out entirely on the computers at UAH. They have also carried out extensive simulations for astrophysical applications, taking advantage of the Monte-Carlo simulation codes developed previously at MSFC and further improved at UAH for detector simulations. One refereed paper and one contribution to conference proceedings have been resulted from this effort.

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

Madhukumar, R.; Asha, S.; Rao, B. Lakshmeesha

The gamma radiation-induced change in structural and thermal properties of Bombyx mori silk fibroin films were investigated and have been correlated with the applied radiation doses. Irradiation of samples were carried out in dry air at room temperature using Co-60 source, and radiation doses are in the range of 0 - 300 kGy. Structural and thermal properties of the irradiated silk films were studied using X-ray diffraction (XRD), Differential Scanning Calorimetry (DSC) and Thermogravimetric analysis (TGA) and compared with unirradiated sample. Interesting results are discussed in this report.

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

NASA Technical Reports Server (NTRS)

Nichols, J. B.

1975-01-01

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

Structure-phase states evolution in Al-Si alloy under electron-beam treatment and high-cycle fatigue

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

Konovalov, Sergey, E-mail: konovserg@gmail.com; Alsaraeva, Krestina, E-mail: gromov@physics.sibsiu.ru; Gromov, Victor, E-mail: gromov@physics.sibsiu.ru

By methods of scanning and transmission electron diffraction microscopy the analysis of structure-phase states and defect substructure of silumin subjected to high-intensity electron beam irradiation in various regimes and subsequent fatigue loading up to failure was carried out. It is revealed that the sources of fatigue microcracks are silicon plates of micron and submicron size are not soluble in electron beam processing. The possible reasons of the silumin fatigue life increase under electron-beam treatment are discussed.

The haloarchaeal MCM proteins: bioinformatic analysis and targeted mutagenesis of the β7-β8 and β9-β10 hairpin loops and conserved zinc binding domain cysteines

PubMed Central

Kristensen, Tatjana P.; Maria Cherian, Reeja; Gray, Fiona C.; MacNeill, Stuart A.

2014-01-01

The hexameric MCM complex is the catalytic core of the replicative helicase in eukaryotic and archaeal cells. Here we describe the first in vivo analysis of archaeal MCM protein structure and function relationships using the genetically tractable haloarchaeon Haloferax volcanii as a model system. Hfx. volcanii encodes a single MCM protein that is part of the previously identified core group of haloarchaeal MCM proteins. Three structural features of the N-terminal domain of the Hfx. volcanii MCM protein were targeted for mutagenesis: the β7-β8 and β9-β10 β-hairpin loops and putative zinc binding domain. Five strains carrying single point mutations in the β7-β8 β-hairpin loop were constructed, none of which displayed impaired cell growth under normal conditions or when treated with the DNA damaging agent mitomycin C. However, short sequence deletions within the β7-β8 β-hairpin were not tolerated and neither was replacement of the highly conserved residue glutamate 187 with alanine. Six strains carrying paired alanine substitutions within the β9-β10 β-hairpin loop were constructed, leading to the conclusion that no individual amino acid within that hairpin loop is absolutely required for MCM function, although one of the mutant strains displays greatly enhanced sensitivity to mitomycin C. Deletions of two or four amino acids from the β9-β10 β-hairpin were tolerated but mutants carrying larger deletions were inviable. Similarly, it was not possible to construct mutants in which any of the conserved zinc binding cysteines was replaced with alanine, underlining the likely importance of zinc binding for MCM function. The results of these studies demonstrate the feasibility of using Hfx. volcanii as a model system for reverse genetic analysis of archaeal MCM protein function and provide important confirmation of the in vivo importance of conserved structural features identified by previous bioinformatic, biochemical and structural studies. PMID:24723920

Synthesis, growth, structural, optical and thermal properties of an organic single crystal: 4-nitroaniline 4-aminobenzoic acid.

PubMed

Silambarasan, A; Rajesh, P; Ramasamy, P

2014-01-24

The organic single crystals of 4-nitroaniline 4-aminobenzoic acid (4NAABA) were grown from ethanol solvent. The lattice parameters of the grown crystal have been confirmed from single crystal XRD analysis. The powder XRD pattern shows the various planes of grown crystal. The FTIR and (1)H NMR spectral analysis confirm the presence of various functional groups and the placement of proton in 4NAABA compound respectively. The UV absorption was carried out which shows the cutoff wavelength around 459 nm. The optical band gap of the crystal has been evaluated from the transmission spectra and absorption coefficient by extrapolation technique. In addition, a fluorescence spectral analysis is carried out for 4NAABA crystals. The thermal properties of crystals were evaluated from thermogravimetrical analysis. It shows that the grown crystal is stable up to 160°C and the crystal has sharp melting point at 151°C. Copyright © 2013 Elsevier B.V. All rights reserved.

Matrix management for aerospace 2000

NASA Technical Reports Server (NTRS)

Mccarthy, J. F., Jr.

1980-01-01

The martix management approach to program management is an organized effort for attaining program objectives by defining and structuring all elements so as to form a single system whose parts are united by interaction. The objective of the systems approach is uncompromisingly complete coverage of the program management endeavor. Starting with an analysis of the functions necessary to carry out a given program, a model must be defined; a matrix of responsibility assignment must be prepared; and each operational process must be examined to establish how it is to be carried out and how it relates to all other processes.

Finite element fatigue analysis of rectangular clutch spring of automatic slack adjuster

NASA Astrophysics Data System (ADS)

Xu, Chen-jie; Luo, Zai; Hu, Xiao-feng; Jiang, Wen-song

2015-02-01

The failure of rectangular clutch spring of automatic slack adjuster directly affects the work of automatic slack adjuster. We establish the structural mechanics model of automatic slack adjuster rectangular clutch spring based on its working principle and mechanical structure. In addition, we upload such structural mechanics model to ANSYS Workbench FEA system to predict the fatigue life of rectangular clutch spring. FEA results show that the fatigue life of rectangular clutch spring is 2.0403×105 cycle under the effect of braking loads. In the meantime, fatigue tests of 20 automatic slack adjusters are carried out on the fatigue test bench to verify the conclusion of the structural mechanics model. The experimental results show that the mean fatigue life of rectangular clutch spring is 1.9101×105, which meets the results based on the finite element analysis using ANSYS Workbench FEA system.

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.

Low-frequency nondestructive analysis of cracks in multilayer structures using a scanning magnetic microscope

NASA Astrophysics Data System (ADS)

Adamo, M.; Nappi, C.; Sarnelli, E.

2010-09-01

The use of a scanning magnetic microscope (SMM) with a high temperature superconducting quantum interference device (SQUID) for quantitative measurements in eddy current nondestructive analysis (NDA) is presented. The SQUID has been used to detect the weak magnetic field variations around a small defect, close to a structural part generating an intensive magnetic field. The experimental data for a deep crack close to a rivet in a multilayer conducting plate have been taken in a RF-shielded environment and discussed in the light of the theoretical predictions. The results show that eddy current NDA can distinguish subsurface crack signals from wider structural signals, with defects located 10 mm below the surface. Moreover, in order to visualize the structure of the probing current when a circular induction coil is used, the simulation of eddy currents in a thick unflawed conducting plate has been carried out.

Robust Flutter Analysis for Aeroservoelastic Systems

NASA Astrophysics Data System (ADS)

Kotikalpudi, Aditya

The dynamics of a flexible air vehicle are typically described using an aeroservoelastic model which accounts for interaction between aerodynamics, structural dynamics, rigid body dynamics and control laws. These subsystems can be individually modeled using a theoretical approach and experimental data from various ground tests can be combined into them. For instance, a combination of linear finite element modeling and data from ground vibration tests may be used to obtain a validated structural model. Similarly, an aerodynamic model can be obtained using computational fluid dynamics or simple panel methods and partially updated using limited data from wind tunnel tests. In all cases, the models obtained for these subsystems have a degree of uncertainty owing to inherent assumptions in the theory and errors in experimental data. Suitable uncertain models that account for these uncertainties can be built to study the impact of these modeling errors on the ability to predict dynamic instabilities known as flutter. This thesis addresses the methods used for modeling rigid body dynamics, structural dynamics and unsteady aerodynamics of a blended wing design called the Body Freedom Flutter vehicle. It discusses the procedure used to incorporate data from a wide range of ground based experiments in the form of model uncertainties within these subsystems. Finally, it provides the mathematical tools for carrying out flutter analysis and sensitivity analysis which account for these model uncertainties. These analyses are carried out for both open loop and controller in the loop (closed loop) cases.

PASCO: Structural panel analysis and sizing code: Users manual - Revised

NASA Technical Reports Server (NTRS)

Anderson, M. S.; Stroud, W. J.; Durling, B. J.; Hennessy, K. W.

1981-01-01

A computer code denoted PASCO is described for analyzing and sizing uniaxially stiffened composite panels. Buckling and vibration analyses are carried out with a linked plate analysis computer code denoted VIPASA, which is included in PASCO. Sizing is based on nonlinear mathematical programming techniques and employs a computer code denoted CONMIN, also included in PASCO. Design requirements considered are initial buckling, material strength, stiffness and vibration frequency. A user's manual for PASCO is presented.

Seismic Study of the Subsurface Structure and Dynamics of the Solar Interior from High Spatial Resolution Observations

NASA Technical Reports Server (NTRS)

Korzennik, Sylvain G.

1997-01-01

We have carried out the data reduction and analysis of Mt. Wilson 60' solar tower high spatial resolution observations. The reduction of the 100-day-long summer of 1990 observation campaign in terms of rotational splittings was completed leading to an excess of 600,000 splittings. The analysis of these splittings lead to a new inference of the solar internal rotation rate as a function of depth and latitude.

An Evaluation of Material Properties Using EMA and FEM

NASA Astrophysics Data System (ADS)

Ďuriš, Rastislav; Labašová, Eva

2016-12-01

The main goal of the paper is the determination of material properties from experimentally measured natural frequencies. A combination of two approaches to structural dynamics testing was applied: the experimental measurements of natural frequencies were performed by Experimental Modal Analysis (EMA) and the numerical simulations, were carried out by Finite Element Analysis (FEA). The optimization methods were used to determine the values of density and elasticity modulus of a specimen based on the experimental results.

Aromatic dipeptides and their salts—Solid-state linear-dichroic infrared (IR-LD) spectral analysis and ab initio calculations

NASA Astrophysics Data System (ADS)

Ivanova, Bojidarka B.

2008-07-01

Stereo-structural analysis and IR-bands assignment of the aromatic dipeptides L-tryrosyl- L-phenylalanine ( Tyr-Phe), L-phenylalanyl- L-tyrosine ( Phe-Tyr) and their hydrochloride salts have been carried out by means of IR-LD spectroscopy of oriented as nematic liquid crystal suspension solid samples. The experimental data are compared with known crystallographic ones and theoretical predicted geometries at RHF/ and UHF/6-31G**.

Chemically stabilized reduced graphene oxide/zirconia nanocomposite: synthesis and characterization

NASA Astrophysics Data System (ADS)

Sagadevan, Suresh; Zaman Chowdhury, Zaira; Enamul Hoque, Md; Podder, Jiban

2017-11-01

In this research, chemical method was used to fabricate reduced graphene oxide/zirconia (rGO/ZrO2) nanocomposite. X-ray Diffraction analysis (XRD) was carried out to examine the crystalline structure of the nanocomposites. The nanocomposite prepared here has average crystallite size of 14 nm. The surface morphology was observed using scanning electron microscopic analysis (SEM) coupled with electron dispersion spectroscopy (EDS) to detect the chemical element over the surface of the nanocomposites. High-resolution Transmission electron microscopic analysis (HR-TEM) was carried out to determine the particle size and shape of the nanocomposites. The optical property of the prepared samples was determined using UV-visible absorption spectrum. The functional groups were identified using FTIR and Raman spectroscopic analysis. Efficient, cost effective and properly optimized synthesis process of rGO/ZrO2 nanocomposite can ensure the presence of infiltrating graphene network inside the ZrO2 matrix to enhance the electrical properties of the hybrid composites up to a greater scale. Thus the dielectric constant, dielectric loss and AC conductivity of the prepared sample was measured at various frequencies and temperatures. The analytical results obtained here confirmed the homogeneous dispersion of ZrO2 nanostructures over the surface of reduced graphene oxide nanosheets. Overall, the research demonstrated that the rGO/ZrO2 nano-hybrid structure fabricated here can be considered as a promising candidate for applications in nanoelectronics and optoelectronics.

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

PubMed

Gómez-Camelo, Diana

2005-01-01

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

Design and testing of integrated Bragg grating sensor systems for advanced grid structure

NASA Astrophysics Data System (ADS)

Amano, Masataro; Mizutani, Tadahito; Okabe, Yoji; Takeda, Nobuo; Ozaki, Tsuyoshi

2006-03-01

In this research, the authors target on the construction of structural health monitoring system of Advanced Grid Structure (AGS) made of Carbon fiber reinforced plastic (CFRP). AGS has often been applied to aerospace structures because of the following advantages: (1) Since ribs carry only axial forces, the weakness in the transverse direction of the CFRP unidirectional laminates is negligible. (2) AGS has damage tolerance because the fracture of a rib hardly affects other ribs, namely AGS is a fail-safe structure. In this research, in order to detect existence and regions of rib fractures in AGS, we embedded multiplexed fiber Bragg grating (FBG) sensors into AGS in rib longitudinal directions for measurement of strains. Monitoring of the change in rib longitudinal strains is the most effective SHM system for AGS. In order to confirm our proposal, we carried out following discussions. First, we analytically revealed that the change in rib longitudinal strains was the most sensitive signal for damage detection because of AGS's structural redundancy. Then, we introduced a statistical outlier analysis technique into the SHM system for damage recognition. Finally, we established AGS with the SHM system and verified experimentally. The result of the test showed that damage existence and regions in AGS could be detected with the proposed SHM system.

Extraordinary Structured Noncoding RNAs Revealed by Bacterial Metagenome Analysis

PubMed Central

Weinberg, Zasha; Perreault, Jonathan; Meyer, Michelle M.; Breaker, Ronald R.

2012-01-01

Estimates of the total number of bacterial species1-3 suggest that existing DNA sequence databases carry only a tiny fraction of the total amount of DNA sequence space represented by this division of life. Indeed, environmental DNA samples have been shown to encode many previously unknown classes of proteins4 and RNAs5. Bioinformatics searches6-10 of genomic DNA from bacteria commonly identify novel noncoding RNAs (ncRNAs)10-12 such as riboswitches13,14. In rare instances, RNAs that exhibit more extensive sequence and structural conservation across a wide range of bacteria are encountered15,16. Given that large structured RNAs are known to carry out complex biochemical functions such as protein synthesis and RNA processing reactions, identifying more RNAs of great size and intricate structure is likely to reveal additional biochemical functions that can be achieved by RNA. We applied an updated computational pipeline17 to discover ncRNAs that rival the known large ribozymes in size and structural complexity or that are among the most abundant RNAs in bacteria that encode them. These RNAs would have been difficult or impossible to detect without examining environmental DNA sequences, suggesting that numerous RNAs with extraordinary size, structural complexity, or other exceptional characteristics remain to be discovered in unexplored sequence space. PMID:19956260

Macroporous polyacrylamide monolithic gels with immobilized metal affinity ligands: the effect of porous structure and ligand coupling chemistry on protein binding.

PubMed

Plieva, Fatima; Bober, Beata; Dainiak, Maria; Galaev, Igor Yu; Mattiasson, Bo

2006-01-01

Macroporous polyacrylamide gels (MPAAG) with iminodiacetic acid (IDA) functionality were prepared by (i) chemical modification of polyacrylamide gel, (ii) co-polymerization of acrylamide with allyl glycidyl ether (AGE) and N,N'metylene-bis(acrylamide) (MBAAm) followed by coupling IDA ligand or (iii) by copolymerization of acrylamide and MBAAm with functional monomer carrying IDA-functionality (1-(N,N-bis(carboxymethyl)amino-3-allylglycerol). Screening for optimized conditions for the production of the MPAAG with required porous properties was performed in a 96-well chromatographic format that allowed parallel production and analysis of the MPAAG prepared from reaction mixtures with different compositions. Scanning electron microscopy of the fabricated MPAAG revealed two different types of the porous structures: monomodal macroporous structure with large interconnected pores separated by dense non-porous pore walls in case of plain gels or gels produced via copolymerization with AGE. The other type of the MPAAG (gel produced via co-polymerization with functional monomer carrying IDA-functionality) had bimodal pore structure with large interconnected pores separated by the pore walls pierced through with micropores. The effect of different modifications of MPAAG monoliths and of porous structure of the MPAAG (monomodal and bimodal porous structure) on protein binding has been evaluated. Copyright 2006 John Wiley & Sons, Ltd.

Experimental Modal Analysis and Dynaic Strain Fiber Bragg Gratings for Structural Health Monitoring of Composite Aerospace Structures

NASA Astrophysics Data System (ADS)

Panopoulou, A.; Fransen, S.; Gomez Molinero, V.; Kostopoulos, V.

2012-07-01

The objective of this work is to develop a new structural health monitoring system for composite aerospace structures based on dynamic response strain measurements and experimental modal analysis techniques. Fibre Bragg Grating (FBG) optical sensors were used for monitoring the dynamic response of the composite structure. The structural dynamic behaviour has been numerically simulated and experimentally verified by means of vibration testing. The hypothesis of all vibration tests was that actual damage in composites reduces their stiffness and produces the same result as mass increase produces. Thus, damage was simulated by slightly varying locally the mass of the structure at different zones. Experimental modal analysis based on the strain responses was conducted and the extracted strain mode shapes were the input for the damage detection expert system. A feed-forward back propagation neural network was the core of the damage detection system. The features-input to the neural network consisted of the strain mode shapes, extracted from the experimental modal analysis. Dedicated training and validation activities were carried out based on the experimental results. The system showed high reliability, confirmed by the ability of the neural network to recognize the size and the position of damage on the structure. The experiments were performed on a real structure i.e. a lightweight antenna sub- reflector, manufactured and tested at EADS CASA ESPACIO. An integrated FBG sensor network, based on the advantage of multiplexing, was mounted on the structure with optimum topology. Numerical simulation of both structures was used as a support tool at all the steps of the work. Potential applications for the proposed system are during ground qualification extensive tests of space structures and during the mission as modal analysis tool on board, being able via the FBG responses to identify a potential failure.

Molecular determinants for drug-receptors Part 11. The preferred conformation of N-(p-anisoyl)pyrrolidin-2-one (``Aniracetam'') in the solid and solution states as indicated by X-ray crystal structure analysis, dipole moment and theoretical calculations

NASA Astrophysics Data System (ADS)

Bandoli, Giuliano; Nicolini, Marino; Lumbroso, Henri; Grassi, Antonio; Pappalardo, Giuseppe C.

1987-09-01

N-( p-anisoyl)pyrrolidin-2-one in the crystalline state exhibites a cis— rans conrotatory conformation with NCO and COC ar rotational angles of 33.5° and 38.5° respectively, and the p-methoxy group situated cis to the central carbonyl bond, as shown by X-ray structure analysis. As suggested by dipole moment analysis and MMP2 molecular mechanics calculations, in solution similar conrotatory models hold for both c- and t-subconformers having the p-methoxy group cis or trans to the central carbonyl bond. INDO calculations were also carried out, indicating that both subconformers are equally stable.

Study on magnetic force of electromagnetic levitation circular knitting machine

NASA Astrophysics Data System (ADS)

Wu, X. G.; Zhang, C.; Xu, X. S.; Zhang, J. G.; Yan, N.; Zhang, G. Z.

2018-06-01

The structure of the driving coil and the electromagnetic force of the test prototype of electromagnetic-levitation (EL) circular knitting machine are studied. In this paper, the driving coil’s structure and working principle of the EL circular knitting machine are firstly introduced, then the mathematical modelling analysis of the driving electromagnetic force is carried out, and through the Ansoft Maxwell finite element simulation software the coil’s magnetic induction intensity and the needle’s electromagnetic force is simulated, finally an experimental platform is built to measure the coil’s magnetic induction intensity and the needle’s electromagnetic force. The results show that the theoretical analysis, the simulation analysis and the results of the test are very close, which proves the correctness of the proposed model.

Quantification of micro-CT images of textile reinforcements

NASA Astrophysics Data System (ADS)

Straumit, Ilya; Lomov, Stepan V.; Wevers, Martine

2017-10-01

VoxTex software (KU Leuven) employs 3D image processing, which use the local directionality information, retrieved using analysis of local structure tensor. The processing results in a voxel 3D array, with each voxel carrying information on (1) material type (matrix; yarn/ply, with identification of the yarn/ply in the reinforcement architecture; void) and (2) fibre direction for fibrous yarns/plies. The knowledge of the material phase volume and known characterisation of the textile structure allows assigning to the voxels (3) fibre volume fraction. This basic voxel model can be further used for different type of the material analysis: Internal geometry and characterisation of defects; permeability; micromechanics; mesoFE voxel models. Apart from the voxel based analysis, approaches to reconstruction of the yarn paths are presented.

[Energy Conservation and Emissions Reduction Benefits Analysis for Battery Electric Buses Based on Travel Services].

PubMed

Lin, Xiao-dan; Tian, Liang; Lü, Bin; Yang, Jian-xin

2015-09-01

Battery Electric Bus (BEB) has become one of prior options of urban buses for its "zero emission" during the driving stage. However, the environmental performance of electric buses is affected by multi-factors from the point of whole life cycle. In practice, carrying capacity of BEB and power generation structures can both implement evident effects on the energy consumption and pollutants emission of BEB. Therefore, take the above factors into consideration, in this article, Life Cycle Assessment is employed to evaluate the energy conservation and emissions reduction benefits of BEB. Results indicate that, travel service is more reasonable as the functional unit, rather than mileage, since the carrying capacity of BEB is 15% lower than the diesel buses. Moreover, compared with diesel buses, the energy conservation and emissions reduction benefits of battery electric buses are all different due to different regional power structures. Specifically, the energy benefits are 7. 84%, 11. 91%, 26. 90%, 11. 15%, 19. 55% and 20. 31% respectively in Huabei, Huadong, Huazhong, Dongbei, Xibei and Nanfang power structure. From the point of comprehensive emissions reduction benefits, there is no benefit in Huabei power structure, as it depends heavily on coal. But in other areas, the comprehensive emissions reduction benefits of BEB are separately 3. 46%, 26. 81%, 1. 17%, 13. 74% and 17. 48% in Huadong, Huazhong, Dongbei, Xibei and Nanfang. Therefore, it suggests that, enlargement of carrying capacity should be taken as the most prior technology innovation direction for BEB, and the grids power structure should be taken into consideration when the development of BEB is in planning.

Ultrasonic Surface Measurements for the investigation of superficial alteration of natural stones

NASA Astrophysics Data System (ADS)

Meier, Thomas; Auras, Michael; Bilgili, Filiz; Christen, Sandra; Cristiano, Luigia; Krompholz, Rolf; Mosca, Ilaria; Rose, David

2013-04-01

Seismic waveform analysis is applicable also to the centimeter and decimeter scale for non-destructive testing of pavement, facades, plaster, sculptures, or load-bearing structures like pillars. Mostly transmission measurements are performed and travel-times of first arriving P-waves are considered that have limited resolution for the upper centimeters of an object. In contrast, surface measurements are well suited to quantify superficial alterations of material properties e.g. due to weathering. A number of surface measurements have been carried out in the laboratory as well as on real structures in order to study systematically the information content of ultrasonic waveforms and their variability under real conditions. As a preposition for ultrasonic waveform analysis, reproducible, broad-band measurements have to be carried out with a definite radiation pattern and an about 1 mm accuracy of the measurement geometry. We used special coupling devices for effective ultrasonic surface measurements in the laboratory as well as at real objects. Samples of concrete with varying composition and samples of natural stone - marble, tuff, and sandstone - were repeatedly weathered and tested by ultrasonic measurements. The resistance of the samples to weathering and the penetration depth of the weathering are analyzed. Furthermore, material specific calibration curves for changes in velocities of elastic waves due to weathering can be obtained by these tests. Tests on real structures have been carried out for marble (Schlossbrücke, Berlin) and sandstone (Porta Nigra, Trier). Altogether, these test measurements show clearly that despite of the internal inhomogeneity of many real objects, their surface roughness and topography especially ultrasonic Rayleigh waves are well suited to study material alterations in the upper centimeters. Dispersion of Rayleigh waves may be inverted for shear-wave velocity as a function of depth.

Decoupling Principle Analysis and Development of a Parallel Three-Dimensional Force Sensor

PubMed Central

Zhao, Yanzhi; Jiao, Leihao; Weng, Dacheng; Zhang, Dan; Zheng, Rencheng

2016-01-01

In the development of the multi-dimensional force sensor, dimension coupling is the ubiquitous factor restricting the improvement of the measurement accuracy. To effectively reduce the influence of dimension coupling on the parallel multi-dimensional force sensor, a novel parallel three-dimensional force sensor is proposed using a mechanical decoupling principle, and the influence of the friction on dimension coupling is effectively reduced by making the friction rolling instead of sliding friction. In this paper, the mathematical model is established by combining with the structure model of the parallel three-dimensional force sensor, and the modeling and analysis of mechanical decoupling are carried out. The coupling degree (ε) of the designed sensor is defined and calculated, and the calculation results show that the mechanical decoupling parallel structure of the sensor possesses good decoupling performance. A prototype of the parallel three-dimensional force sensor was developed, and FEM analysis was carried out. The load calibration and data acquisition experiment system are built, and then calibration experiments were done. According to the calibration experiments, the measurement accuracy is less than 2.86% and the coupling accuracy is less than 3.02%. The experimental results show that the sensor system possesses high measuring accuracy, which provides a basis for the applied research of the parallel multi-dimensional force sensor. PMID:27649194

Quantum-mechanics-derived 13Cα chemical shift server (CheShift) for protein structure validation

PubMed Central

Vila, Jorge A.; Arnautova, Yelena A.; Martin, Osvaldo A.; Scheraga, Harold A.

2009-01-01

A server (CheShift) has been developed to predict 13Cα chemical shifts of protein structures. It is based on the generation of 696,916 conformations as a function of the φ, ψ, ω, χ1 and χ2 torsional angles for all 20 naturally occurring amino acids. Their 13Cα chemical shifts were computed at the DFT level of theory with a small basis set and extrapolated, with an empirically-determined linear regression formula, to reproduce the values obtained with a larger basis set. Analysis of the accuracy and sensitivity of the CheShift predictions, in terms of both the correlation coefficient R and the conformational-averaged rmsd between the observed and predicted 13Cα chemical shifts, was carried out for 3 sets of conformations: (i) 36 x-ray-derived protein structures solved at 2.3 Å or better resolution, for which sets of 13Cα chemical shifts were available; (ii) 15 pairs of x-ray and NMR-derived sets of protein conformations; and (iii) a set of decoys for 3 proteins showing an rmsd with respect to the x-ray structure from which they were derived of up to 3 Å. Comparative analysis carried out with 4 popular servers, namely SHIFTS, SHIFTX, SPARTA, and PROSHIFT, for these 3 sets of conformations demonstrated that CheShift is the most sensitive server with which to detect subtle differences between protein models and, hence, to validate protein structures determined by either x-ray or NMR methods, if the observed 13Cα chemical shifts are available. CheShift is available as a web server. PMID:19805131

Structural characterization of the human cerebral myelin sheath by small angle x-ray scattering

NASA Astrophysics Data System (ADS)

DeFelici, M.; Felici, R.; Ferrero, C.; Tartari, A.; Gambaccini, M.; Finet, S.

2008-10-01

Myelin is a multi-lamellar membrane surrounding neuronal axons and increasing their conduction velocity. When investigated by small-angle x-ray scattering (SAXS), the lamellar quasi-periodical arrangement of the myelin sheath gives rise to distinct peaks, which allow the determination of its molecular organization and the dimensions of its substructures. In this study we report on the myelin sheath structural determination carried out on a set of human brain tissue samples coming from surgical biopsies of two patients: a man around 60 and a woman nearly 90 years old. The samples were extracted either from white or grey cerebral matter and did not undergo any manipulation or chemical-physical treatment, which could possibly have altered their structure, except dipping them into a formalin solution for their conservation. Analysis of the scattered intensity from white matter of intact human cerebral tissue allowed the evaluation not only of the myelin sheath periodicity but also of its electronic charge density profile. In particular, the thicknesses of the cytoplasm and extracellular regions were established, as well as those of the hydrophilic polar heads and hydrophobic tails of the lipid bilayer. SAXS patterns were measured at several locations on each sample in order to establish the statistical variations of the structural parameters within a single sample and among different samples. This work demonstrates that a detailed structural analysis of the myelin sheath can also be carried out in randomly oriented samples of intact human white matter, which is of importance for studying the aetiology and evolution of the central nervous system pathologies inducing myelin degeneration.

Pharmacophore modeling, docking, and principal component analysis based clustering: combined computer-assisted approaches to identify new inhibitors of the human rhinovirus coat protein.

PubMed

Steindl, Theodora M; Crump, Carolyn E; Hayden, Frederick G; Langer, Thierry

2005-10-06

The development and application of a sophisticated virtual screening and selection protocol to identify potential, novel inhibitors of the human rhinovirus coat protein employing various computer-assisted strategies are described. A large commercially available database of compounds was screened using a highly selective, structure-based pharmacophore model generated with the program Catalyst. A docking study and a principal component analysis were carried out within the software package Cerius and served to validate and further refine the obtained results. These combined efforts led to the selection of six candidate structures, for which in vitro anti-rhinoviral activity could be shown in a biological assay.

Feasibility of modern airships - Preliminary assessment

NASA Technical Reports Server (NTRS)

Ardema, M. D.

1977-01-01

Attention is given to the NASA program, Feasibility Study of Modern Airships, initiated to investigate potential research and technology programs associated with airship development. A historical survey of the program is presented, including the development of past airship concepts, aerodynamical and design improvements, structure and material concepts, and research in controls, avionics, instrumentation, flight operations, and ground handling. A mission analysis was carried out which considered passenger and cargo transportation, heavy-lift, short-haul applications, surveillance missions, and the transportation of natural gas. A vehicle parametric analysis examined the entire range of airship concepts, discussing both conventional airships and hybrids. Various design options were evaluated, such as choice of structural materials, use of boundary-layer control, and choice of lifting gas.

Multimode analysis of highly tunable, quantum cascade powered, circular graphene spaser

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

Jayasekara, Charith, E-mail: charith.jayasekara@monash.edu; Premaratne, Malin; Stockman, Mark I.

2015-11-07

We carried out a detailed analysis of a circular graphene spaser made of a circular graphene flake and a quantum cascade well structure. Owing to unique properties of graphene and quantum cascade well structure, the proposed design shows high mechanical and thermal stability and low optical losses. Additionally, operation characteristics of the model are analysed and tunability of the device is demonstrated. Some advantages of the proposed design include compact size, lower power operation, and the ability to set the operating wavelength over a wide range from Mid-IR to Near-IR. Thus, it can have wide spread applications including designing ofmore » ultracompact and ultrafast devices, nanoscopy and biomedical applications.« less

Corrosion resistance of zirconium oxynitride coatings deposited via DC unbalanced magnetron sputtering and spray pyrolysis-nitriding

NASA Astrophysics Data System (ADS)

Cubillos, G. I.; Bethencourt, M.; Olaya, J. J.

2015-02-01

ZrOxNy/ZrO2 thin films were deposited on stainless steel using two different methods: ultrasonic spray pyrolysis-nitriding (SPY-N) and the DC unbalanced magnetron sputtering technique (UBMS). Using the first method, ZrO2 was initially deposited and subsequently nitrided in an anhydrous ammonia atmosphere at 1023 K at atmospheric pressure. For UBMS, the film was deposited in an atmosphere of air/argon with a Φair/ΦAr flow ratio of 3.0. Structural analysis was carried out through X-ray diffraction (XRD), and morphological analysis was done through scanning electron microscopy (SEM) and atomic force microscopy (AFM). Chemical analysis was carried out using X-ray photoelectron spectroscopy (XPS). ZrOxNy rhombohedral polycrystalline film was produced with spray pyrolysis-nitriding, whereas using the UBMS technique, the oxynitride films grew with cubic Zr2ON2 crystalline structures preferentially oriented along the (2 2 2) plane. Upon chemical analysis of the surface, the coatings exhibited spectral lines of Zr3d, O1s, and N1s, characteristic of zirconium oxynitride/zirconia. SEM analysis showed the homogeneity of the films, and AFM showed morphological differences according to the deposition technique of the coatings. Zirconium oxynitride films enhanced the stainless steel's resistance to corrosion using both techniques. The protective efficacy was evaluated using electrochemical techniques based on linear polarization (LP). The results indicated that the layers provide good resistance to corrosion when exposed to chloride-containing media.

The Conservation of Structure and Mechanism of Catalytic Action in a Family of Thiamin Pyrophosphate (TPP)-dependent Enzymes

NASA Technical Reports Server (NTRS)

Dominiak, P.; Ciszak, Ewa

2004-01-01

Thiamin pyrophosphate (TPP)-dependent enzymes are a divergent family of TPP and metal ion binding proteins that perform a wide range of functions with the common decarboxylation steps of a -(O=)C-C(OH)- fragment of alpha-ketoacids and alpha- hydroxyaldehydes. To determine how structure and catalytic action are conserved in the context of large sequence differences existing within this family of enzymes, we have carried out an analysis of TPP-dependent enzymes of known structures. The common structure of TPP-dependent enzymes is formed at the interface of four alpha/beta domains from at least two subunits, which provide for two metal and TPP-binding sites. Residues around these catalytic sites are conserved for functional purpose, while those further away from TPP are conserved for structural reasons. Together they provide a network of contacts required for flip-flop catalytic action within TPP-dependent enzymes. Thus our analysis defines a TPP-action motif that is proposed for annotating TPP-dependent enzymes for advancing functional proteomics.

Nuclear magnetic and nuclear quadrupole resonance parameters of β-carboline derivatives calculated using density functional theory

NASA Astrophysics Data System (ADS)

Ahmadinejad, Neda; Tari, Mostafa Talebi

2017-04-01

A density functional theory (DFT) calculations using B3LYP/6-311++G( d,p) method were carried out to investigate the relative stability of the molecules of β-carboline derivatives such as harmaline, harmine, harmalol, harmane and norharmane. Calculated nuclear quadrupole resonance (NQR) parameters were used to determine the 14N nuclear quadrupole coupling constant χ, asymmetry parameter η and EFG tensor ( q zz ). For better understanding of the electronic structure of β-carboline derivatives, natural bond orbital (NBO) analysis, isotropic and anisotropic NMR chemical shieldings were calculated for 14N nuclei using GIAO method for the optimized structures. The NBO analysis shows that pyrrole ring nitrogen (N9) atom has greater tendency than pyridine ring nitrogen (N2) atom to participate in resonance interactions and aromaticity development in the all of these structures. The NMR and NQR parameters were studied in order to find the correlations between electronic structure and the structural stability of the studied molecules.

Molecular Dynamics Approach in Designing Thermostable Aspergillus niger Xylanase

NASA Astrophysics Data System (ADS)

Malau, N. D.; Sianturi, M.

2017-03-01

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

[The structure of psychopathology associated with addictive disorders, against alcohol addiction and the possibility of it's neurometabolic correction in the elderly].

PubMed

Belov, V G; Parfenov, Iu A; Zaplutanov, V A; Khaĭrutdinov, D R

2013-01-01

The article presents the analysis of the structure and dynamics of psychopathology associated with addictive disorders in elderly patients with alcohol dependence. In terms of syndromic approach the structure of neurotic disease in elderly patients with a verified diagnosis of mental and behavioral disorders associated with alcohol consumption was evaluated. In the overall structure of neurotic pathology in these patients the analysis of symptoms of neurotic diseases, the research of the structure of syndromes and their dynamics were carried out, as well as the patient's attitude to the disease and to its manifestations was determined. A factor model of the pathogenesis of neurotic pathology connected with mental and behavioral disorders due to alcohol use in elderly patients was developed. The high clinical effectiveness of the drug "Cytoflavin" used in the reduction of psychiatric symptoms in patients aged from 62 to 74 years with a diagnosis of mental and behavioral disorders associated with alcohol consumption has been shown.

An examination of the psychometric structure of the Multidimensional Pain Inventory in temporomandibular disorder patients: a confirmatory factor analysis

PubMed Central

Andreu, Yolanda; Galdon, Maria J; Durá, Estrella; Ferrando, Maite; Pascual, Juan; Turk, Dennis C; Jiménez, Yolanda; Poveda, Rafael

2006-01-01

Background This paper seeks to analyse the psychometric and structural properties of the Multidimensional Pain Inventory (MPI) in a sample of temporomandibular disorder patients. Methods The internal consistency of the scales was obtained. Confirmatory Factor Analysis was carried out to test the MPI structure section by section in a sample of 114 temporomandibular disorder patients. Results Nearly all scales obtained good reliability indexes. The original structure could not be totally confirmed. However, with a few adjustments we obtained a satisfactory structural model of the MPI which was slightly different from the original: certain items and the Self control scale were eliminated; in two cases, two original scales were grouped in one factor, Solicitous and Distracting responses on the one hand, and Social activities and Away from home activities, on the other. Conclusion The MPI has been demonstrated to be a reliable tool for the assessment of pain in temporomandibular disorder patients. Some divergences to be taken into account have been clarified. PMID:17169143

Effects of local vibrations on the dynamics of space truss structures

NASA Technical Reports Server (NTRS)

Warnaar, Dirk B.; Mcgowan, Paul E.

1987-01-01

The paper discusses the influence of local member vibrations on the dynamics of repetitive space truss structures. Several focus problems wherein local member vibration modes are in the frequency range of the global truss modes are discussed. Special attention is given to defining methods that can be used to identify the global modes of a truss structure amidst many local modes. Significant interactions between the motions of local member vibrations and the global behavior are shown to occur in truss structures when: (1) the natural frequencies of the individual members for clamped-clamped boundary conditions are in the vicinity of the global truss frequency; and (2) the total mass of the individual members represents a large portion of the mass of the whole structure. The analysis is carried out with a structural analysis code which uses exact member theory. The modeling detail required using conventional finite element codes to adequately represent such a class of problems is examined. The paper concludes with some practical considerations for the design and dynamic testing of structures which might exhibit such behavior.

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

The Relationship between Health Professionals and the Elderly Patient Facing Drug Prescription: A Qualitative Approach

ERIC Educational Resources Information Center

Lefevre, Fernando; Teixeira, Jorge Juarez Vieira; Lefevre, Ana Maria Cavalcanti; de Castro, Lia Lusitana Cardozo; Spinola, Aracy Witt de Pinho

2004-01-01

Aiming at identifying the relationship between the elderly patient facing drug prescription and health professionals, an exploratory and descriptive study of a qualitative cut was carried out using semi-structured interviews. To this end, the Collective Subject Discourse analysis technique was employed. Thirty elderly patients living in the urban…

What Makes a Mathematical Task Interesting?

ERIC Educational Resources Information Center

Nyman, Rimma

2016-01-01

The study addresses the question of what makes a mathematical task interesting to the 9th year students. Semi-structured interviews were carried out with 15 students of purposive selection of the 9th year. The students were asked to recall a task they found interesting and engaging during the past three years. An analysis of the tasks was made…

Parental Experiences of Support for Pupils with Dyslexia: Ignoring the Effect on Parents

ERIC Educational Resources Information Center

Earey, Alison

2013-01-01

This article reports on research that was carried out with parents in order to understand the education system in England from their viewpoint through in-depth, semi-structured interviews with seven parents, who were largely sourced through a local dyslexia specialist tutor. The data were analysed by using cross-sectional analysis in order to…

Brominated carbon black: An EDXD study

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

Carbone, Marilena; Gontrani, Lorenzo, E-mail: lorenzo.gontrani@uniroma1.it

2014-06-19

An energy dispersive X-Ray study of pure and brominated carbon black was carried out. The analysis of the diffraction patterns reveals that the low bromine load (ca.1% mol) is trapped into the structure, without significantly modifying it. This allows the application of the difference methods, widely tested for electrolyte solutions, inorganic matrices containing metals and isomorphic substitutions.

IRE/F Structure Analysis in Student Expositions during Nursing Practices with SDIS-GSEQ

ERIC Educational Resources Information Center

Ruiz Carrillo, Edgardo; Bravo Sánchez, Luisa; Meraz Martínez, Samuel; Cruz González, José Luiz

2017-01-01

Introduction: In clinical nursing practices where a student presents a class topic, the way in which discourse takes place has a complex formation that places him in an active subject position, but always under the coordination of the teacher. Presentations and activities carried out by the presenter in practice involve discourse-guided…

Spectral sensitivity characteristics simulation for silicon p-i-n photodiode

NASA Astrophysics Data System (ADS)

Urchuk, S. U.; Legotin, S. A.; Osipov, U. V.; Elnikov, D. S.; Didenko, S. I.; Astahov, V. P.; Rabinovich, O. I.; Yaromskiy, V. P.; Kuzmina, K. A.

2015-11-01

In this paper the simulation results of the spectral sensitivity characteristics of silicon p-i-n-photodiodes are presented. The analysis of the characteristics of the semiconductor material (the doping level, lifetime, surface recombination velocity), the construction and operation modes on the characteristics of photosensitive structures in order to optimize them was carried out.

The Impact of International Mobility as Experienced by Spanish Academics

ERIC Educational Resources Information Center

Groves, Tamar; López, Estrella Montes; Carvalho, Teresa

2018-01-01

The objective of this research is to explore the experiences of the first generations of Spanish academics that carried out research stays in foreign institutions. The analysis of 30 semi-structured interviews shows the interviewees' evaluation of their stay abroad, the impact that this had on their academic career and how the return to the home…

A Common Methodology: Using Cluster Analysis to Identify Organizational Culture across Two Workforce Datasets

ERIC Educational Resources Information Center

Munn, Sunny L.

2016-01-01

Organizational structures are comprised of an organizational culture created by the beliefs, values, traditions, policies and processes carried out by the organization. The work-life system in which individuals use work-life initiatives to achieve a work-life balance can be influenced by the type of organizational culture within one's workplace,…

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…

An Analysis of the Factors That Affect Engagement of Higher Education Teachers with an Institutional Professional Development Scheme

ERIC Educational Resources Information Center

Botham, Kathryn Ann

2018-01-01

An evaluation project was carried out to consider the factors that influence university teachers engagement with an institutional professional development scheme. Data was collected via an online questionnaire followed up by semi-structured interviews. This paper will consider those factors that encourage and act as barriers to engagement. The…

The Educational, Social and Emotional Experiences of Students with Dyslexia: The Perspective of Postsecondary Education Students

ERIC Educational Resources Information Center

Doikou-Avlidou, Maro

2015-01-01

The present study aimed at exploring the educational, social and emotional experiences of individuals with dyslexia both during school and tertiary education. For this purpose, semi-structured interviews were conducted with ten Greek students with dyslexia who were enrolled in higher education institutions. The data analysis was carried out with…

Geometrically Nonlinear Static Analysis of 3D Trusses Using the Arc-Length Method

NASA Technical Reports Server (NTRS)

Hrinda, Glenn A.

2006-01-01

Rigorous analysis of geometrically nonlinear structures demands creating mathematical models that accurately include loading and support conditions and, more importantly, model the stiffness and response of the structure. Nonlinear geometric structures often contain critical points with snap-through behavior during the response to large loads. Studying the post buckling behavior during a portion of a structure's unstable load history may be necessary. Primary structures made from ductile materials will stretch enough prior to failure for loads to redistribute producing sudden and often catastrophic collapses that are difficult to predict. The responses and redistribution of the internal loads during collapses and possible sharp snap-back of structures have frequently caused numerical difficulties in analysis procedures. The presence of critical stability points and unstable equilibrium paths are major difficulties that numerical solutions must pass to fully capture the nonlinear response. Some hurdles still exist in finding nonlinear responses of structures under large geometric changes. Predicting snap-through and snap-back of certain structures has been difficult and time consuming. Also difficult is finding how much load a structure may still carry safely. Highly geometrically nonlinear responses of structures exhibiting complex snap-back behavior are presented and analyzed with a finite element approach. The arc-length method will be reviewed and shown to predict the proper response and follow the nonlinear equilibrium path through limit points.

Structure of turbulent non-premixed flames modeled with two-step chemistry

NASA Technical Reports Server (NTRS)

Chen, J. H.; Mahalingam, S.; Puri, I. K.; Vervisch, L.

1992-01-01

Direct numerical simulations of turbulent diffusion flames modeled with finite-rate, two-step chemistry, A + B yields I, A + I yields P, were carried out. A detailed analysis of the turbulent flame structure reveals the complex nature of the penetration of various reactive species across two reaction zones in mixture fraction space. Due to this two zone structure, these flames were found to be robust, resisting extinction over the parameter ranges investigated. As in single-step computations, mixture fraction dissipation rate and the mixture fraction were found to be statistically correlated. Simulations involving unequal molecular diffusivities suggest that the small scale mixing process and, hence, the turbulent flame structure is sensitive to the Schmidt number.

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%.

Conformational flexibility and packing plausibility of repaglinide polymorphs

NASA Astrophysics Data System (ADS)

Rani, Dimpy; Goyal, Parnika; Chadha, Renu

2018-04-01

The present manuscript highlights the structural insight into the repaglinide polymorphs. The experimental screening for the possible crystal forms were carried out using various solvents, which generated three forms. The crystal structure of Form II and III was determined using PXRD pattern whereas structural analysis of Form I has already been reported. Form I, II and II was found to exist in P212121, PNA21 and P21/c space groups respectively. Conformational analysis was performed to account the conformational flexibility of RPG. The obtained conformers were further utilized to obtain the information about the crystal packing pattern of RPG polymorphs by polymorph prediction module. The lattice energy landscape, depicting the relationship between lattice energy and density of the polymorphs has been obtained for various possible polymorphs. The experimentally isolated polymorphs were successfully fitted into lattice energy landscape.

Corrected goodness-of-fit test in covariance structure analysis.

PubMed

Hayakawa, Kazuhiko

2018-05-17

Many previous studies report simulation evidence that the goodness-of-fit test in covariance structure analysis or structural equation modeling suffers from the overrejection problem when the number of manifest variables is large compared with the sample size. In this study, we demonstrate that one of the tests considered in Browne (1974) can address this long-standing problem. We also propose a simple modification of Satorra and Bentler's mean and variance adjusted test for non-normal data. A Monte Carlo simulation is carried out to investigate the performance of the corrected tests in the context of a confirmatory factor model, a panel autoregressive model, and a cross-lagged panel (panel vector autoregressive) model. The simulation results reveal that the corrected tests overcome the overrejection problem and outperform existing tests in most cases. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking of 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione

NASA Astrophysics Data System (ADS)

Avdović, Edina H.; Milenković, Dejan; Dimitrić Marković, Jasmina M.; Đorović, Jelena; Vuković, Nenad; Vukić, Milena D.; Jevtić, Verica V.; Trifunović, Srećko R.; Potočňák, Ivan; Marković, Zoran

2018-04-01

The experimental and theoretical investigations of structure of the 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione were performed. X-ray structure analysis and spectroscopic methods (FTIR and FT-Raman, 1H and 13C NMR), along with the density functional theory calculations (B3LYP functional with empirical dispersion corrections D3BJ in combination with the 6-311 + G(d,p) basis set), were used in order to characterize the molecular structure and spectroscopic behavior of the investigated coumarin derivative. Molecular docking analysis was carried out to identify the potency of inhibition of the title molecule against human's Ubiquinol-Cytochrome C Reductase Binding Protein (UQCRB) and Methylenetetrahydrofolate reductase (MTHFR). The inhibition activity was obtained for ten conformations of ligand inside the proteins.

The structure of geopolymers - Theoretical studies

NASA Astrophysics Data System (ADS)

Koleżyński, Andrzej; Król, Magdalena; Żychowicz, Mikołaj

2018-07-01

This work presents the results of DFT and classical mechanics' calculations and theoretical analysis of geopolymer structure. The calculations were carried out using a bottom-up approach (from small oligomers to clusters with increasing size) for various Si:Al ratio. For all model structures after geometry optimization, respective IR spectra were simulated and compared with the experimental ones. The obtained results show that the concordance of simulated spectra with the experiment, for a given Si:Al ratio, increases with the size of the cluster and increasing local order. Moreover, the increase of the level of local disorder (structure "openness") results in significant band splitting, not observable in real geopolymers. This suggest that, in the case of real geopolymeric structures one can expect the presence of reasonably big, ordered structural fragments, analogous to zeolites.

Defect structure in electrodeposited nanocrystalline Ni layers with different Mo concentrations

NASA Astrophysics Data System (ADS)

Kapoor, Garima; Péter, László; Fekete, Éva; Gubicza, Jenő

2018-05-01

The effect of molybdenum (Mo) alloying on the lattice defect structure in electrodeposited nanocrystalline nickel (Ni) films was studied. The electrodeposited layers were prepared on copper substrate at room temperature, with a constant current density and pH value. The chemical composition of these layers was determined by EDS. In addition, X-ray diffraction line profile analysis was carried out to study the microstructural parameters such as the crystallite size, the dislocation density and the stacking fault probability. It was found that the higher Mo content yielded more than one order of magnitude larger dislocation density while the crystallite size was only slightly smaller. In addition, the twin boundary formation activity during deposition increased with increasing Mo concentration. The results obtained on electrodeposited layers were compared with previous research carried out on bulk nanocrystalline Ni-Mo materials with similar compositions but processed by severe plastic deformation.

Micro- and nano-CT textural analysis of an experimental volcanic fulgurite.

NASA Astrophysics Data System (ADS)

Cimarelli, Corrado; Yilmaz, Tim; Colombier, Mathieu; Villanova, Julie; Höfer, Lucas; Hess, Kai-Uwe; Ruthensteiner, Bernhard; Dingwell, Donald

2017-04-01

Fulgurites are natural glasses formed by cloud to ground lightning discharges causing rapid heating into rocks or unconsolidated sediments. Volcanic lightning can determine the re-melting and even ablation of newly formed or just deposited volcanic tephra during explosive eruptions. In this case the pristine material is already constituted by glass that can be further modified by the discharge. Although volcanic lightning discharges are generally less energetic than those produced by thunderclouds, the high temperatures reached by the lightning channel are well in excess of the low melting temperature of glass material. Here we have experimentally reproduced a fulgurite by single impulse voltage discharges (134 kV, 331 A, 10.5 J) on a target glass material. We have chosen borosilicate glass fibers (180 microns nominal length) as starting material to better account for the structural and chemical modification of the single particles after discharge-melting. The structure of the small fulgurite is best resolved through X-ray micro- and nano-computed tomography. Micro-CT analysis was carried out on a phoenix nanotom m with a voxelsize of 1 µm3. Additionally a 3D reconstruction with a voxel size of 150 nm3 has been analyzed at the new nano-analysis beamline ID16B at the ESRF. 3D analysis was carried out using Avizo 9.2 software, which allows non-destructive analysis of the fragile structure of the sample. The sample shows the channel-like structure typical for natural fulgurites with an inner void channel and internal wall constituted by the melted fibers. About 33% of the total solid volume of the fulgurite is melted to form the inner wall. The inner wall is characterized by nano- to micro-metric vesicles determined by volatile exsolution (mainly H2O) during the instantaneous heating and trapped in the low viscosity melt by the subsequent rapid quenching. Progressively outward the fulgurite shows the intricate delicate structure of the pristine glass fibers. Our results demonstrate that structural and chemical alteration of low viscosity glass material is possible by small impulse discharges with relatively low currents, thus reproducing a plausible scenario for electrical discharges during volcanic eruptions. Our experiment opens the opportunity for systematic constrained experimental investigation of the modification induced by volcanic lightning on tephra.

Characterization of prepared In2O3 thin films: The FT-IR, FT-Raman, UV-Visible investigation and optical analysis.

PubMed

Panneerdoss, I Joseph; Jeyakumar, S Johnson; Ramalingam, S; Jothibas, M

2015-08-05

In this original work, the Indium oxide (In2O3) thin film is deposited cleanly on microscope glass substrate at different temperatures by spray pyrolysis technique. The physical properties of the films are characterized by XRD, SEM, AFM and AFM measurements. The spectroscopic investigation has been carried out on the results of FT-IR, FT-Raman and UV-Visible. XRD analysis exposed that the structural transformation of films from stoichiometric to non-stoichiometric orientation of the plane vice versa and also found that, the film is polycrystalline in nature having cubic crystal structure with a preferred grain orientation along (222) plane. SEM and AFM studies revealed that, the film with 0.1M at 500°C has spherical grains with uniform dimension. The complete vibrational analysis has been carried out and the optimized parameters are calculated using HF and DFT (CAM-B3LYP, B3LYP and B3PW91) methods with 3-21G(d,p) basis set. Furthermore, NMR chemical shifts are calculated by using the gauge independent atomic orbital (GIAO) technique. The molecular electronic properties; absorption wavelengths, excitation energy, dipole moment and frontier molecular orbital energies, molecular electrostatic potential energy (MEP) analysis and Polarizability first order hyperpolarizability calculations are performed by time dependent DFT (TD-DFT) approach. The energy excitation on electronic structure is investigated and the assignment of the absorption bands in the electronic spectra of steady compound is discussed. The calculated HOMO and LUMO energies showed the enhancement of energy gap by the addition of substitutions with the base molecule. The thermodynamic properties (heat capacity, entropy, and enthalpy) at different temperatures are calculated and interpreted in gas phase. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.

High-performance liquid chromatography-mass spectrometry for mapping and sequencing glycosaminoglycan-derived oligosaccharides

PubMed Central

Volpi, Nicola; Linhardt, Robert J

2012-01-01

Glycosaminoglycans (GAGs) have proven to be very difficult to analyze and characterize because of their high negative charge density, polydispersity and sequence heterogeneity. As the specificity of the interactions between GAGs and proteins results from the structure of these polysaccharides, an understanding of GAG structure is essential for developing a structure–activity relationship. Electrospray ionization (ESI) mass spectrometry (MS) is particularly promising for the analysis of oligosaccharides chemically or enzymatically generated by GAGs because of its relatively soft ionization capacity. Furthermore, on-line high-performance liquid chromatography (HPLC)-MS greatly enhances the characterization of complex mixtures of GAG-derived oligosaccharides, providing important structural information and affording their disaccharide composition. A detailed protocol for producing oligosaccharides from various GAGs, using controlled, specific enzymatic or chemical depolymerization, is presented, together with their HPLC separation, using volatile reversed-phase ion-pairing reagents and on-line ESI-MS structural identification. This analysis provides an oligosaccharide map together with sequence information from a reading frame beginning at the nonreducing end of the GAG chains. The preparation of oligosaccharides can be carried out in 10 h, with subsequent HPLC analysis in 1–2 h and HPLC-MS analysis taking another 2 h. PMID:20448545

Sensitive and Structure-Informative N-Glycosylation Analysis by MALDI-MS; Ionization, Fragmentation, and Derivatization

PubMed Central

Nishikaze, Takashi

2017-01-01

Mass spectrometry (MS) has become an indispensable tool for analyzing post translational modifications of proteins, including N-glycosylated molecules. Because most glycosylation sites carry a multitude of glycans, referred to as “glycoforms,” the purpose of an N-glycosylation analysis is glycoform profiling and glycosylation site mapping. Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) has unique characteristics that are suited for the sensitive analysis of N-glycosylated products. However, the analysis is often hampered by the inherent physico-chemical properties of N-glycans. Glycans are highly hydrophilic in nature, and therefore tend to show low ion yields in both positive- and negative-ion modes. The labile nature and complicated branched structures involving various linkage isomers make structural characterization difficult. This review focuses on MALDI-MS-based approaches for enhancing analytical performance in N-glycosylation research. In particular, the following three topics are emphasized: (1) Labeling for enhancing the ion yields of glycans and glycopeptides, (2) Negative-ion fragmentation for less ambiguous elucidation of the branched structure of N-glycans, (3) Derivatization for the stabilization and linkage isomer discrimination of sialic acid residues. PMID:28794918

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

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

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

2006-05-15

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

From Laser Scanning to Finite Element Analysis of Complex Buildings by Using a Semi-Automatic Procedure.

PubMed

Castellazzi, Giovanni; D'Altri, Antonio Maria; Bitelli, Gabriele; Selvaggi, Ilenia; Lambertini, Alessandro

2015-07-28

In this paper, a new semi-automatic procedure to transform three-dimensional point clouds of complex objects to three-dimensional finite element models is presented and validated. The procedure conceives of the point cloud as a stacking of point sections. The complexity of the clouds is arbitrary, since the procedure is designed for terrestrial laser scanner surveys applied to buildings with irregular geometry, such as historical buildings. The procedure aims at solving the problems connected to the generation of finite element models of these complex structures by constructing a fine discretized geometry with a reduced amount of time and ready to be used with structural analysis. If the starting clouds represent the inner and outer surfaces of the structure, the resulting finite element model will accurately capture the whole three-dimensional structure, producing a complex solid made by voxel elements. A comparison analysis with a CAD-based model is carried out on a historical building damaged by a seismic event. The results indicate that the proposed procedure is effective and obtains comparable models in a shorter time, with an increased level of automation.

Potential collapse due to geological structures influence in Seropan Cave, Gunung Kidul, Yogyakarta, Indonesia

NASA Astrophysics Data System (ADS)

Nugroho, B.; Pranantya, P. A.; Witjahjati, R.; Rofinus

2018-01-01

This study aims to estimate the potential collapse in the Seropan cave, based on the existing geological structure conditions in the cave. This is very necessary because in the Seropan cave will be built Microhydro installation for power plants. The electricity will be used to raise the underground river water in the cave to a barren soil surface, which can be used for surface irrigation. The method used is analysis the quality of rock mass along the cave. Analysis of rock mass quality using Geomechanical Classification or Rock Mass Rating (RMR), to determine the magnitude of the effect of geological structure on rock mass stability. The research path is divided into several sections and quality analysis is performed on each section. The results show that the influence of geological structure is very large and along the cave where the research there are several places that have the potential to collapse, so need to get serious attention in handling it. Nevertheless, the construction of this Microhydro installation can still be carried out by making a reinforcement on potentially collapsing parts

Central depression in nucleonic densities: Trend analysis in the nuclear density functional theory approach

NASA Astrophysics Data System (ADS)

Schuetrumpf, B.; Nazarewicz, W.; Reinhard, P.-G.

2017-08-01

Background: The central depression of nucleonic density, i.e., a reduction of density in the nuclear interior, has been attributed to many factors. For instance, bubble structures in superheavy nuclei are believed to be due to the electrostatic repulsion. In light nuclei, the mechanism behind the density reduction in the interior has been discussed in terms of shell effects associated with occupations of s orbits. Purpose: The main objective of this work is to reveal mechanisms behind the formation of central depression in nucleonic densities in light and heavy nuclei. To this end, we introduce several measures of the internal nucleonic density. Through the statistical analysis, we study the information content of these measures with respect to nuclear matter properties. Method: We apply nuclear density functional theory with Skyrme functionals. Using the statistical tools of linear least square regression, we inspect correlations between various measures of central depression and model parameters, including nuclear matter properties. We study bivariate correlations with selected quantities as well as multiple correlations with groups of parameters. Detailed correlation analysis is carried out for 34Si for which a bubble structure has been reported recently, 48Ca, and N =82 , 126, and 184 isotonic chains. Results: We show that the central depression in medium-mass nuclei is very sensitive to shell effects, whereas for superheavy systems it is firmly driven by the electrostatic repulsion. An appreciable semibubble structure in proton density is predicted for 294Og, which is currently the heaviest nucleus known experimentally. Conclusion: Our correlation analysis reveals that the central density indicators in nuclei below 208Pb carry little information on parameters of nuclear matter; they are predominantly driven by shell structure. On the other hand, in the superheavy nuclei there exists a clear relationship between the central nucleonic density and symmetry energy.

Geotechnical approaches to coal ash content control in mining of complex structure deposits

NASA Astrophysics Data System (ADS)

Batugin, SA; Gavrilov, VL; Khoyutanov, EA

2017-02-01

Coal deposits having complex structure and nonuniform quality coal reserves require improved processes of production quality control. The paper proposes a method to present coal ash content as components of natural and technological dilution. It is chosen to carry out studies on the western site of Elginsk coal deposit, composed of four coal beds of complex structure. The reported estimates of coal ash content in the beds with respect to five components point at the need to account for such data in confirmation exploration, mine planning and actual mining. Basic means of analysis and control of overall ash content and its components are discussed.

Nitroxide stable radicals interacting as Lewis bases in hydrogen bonds: A search in the Cambridge structural data base for intermolecular contacts

NASA Astrophysics Data System (ADS)

Alkorta, Ibon; Elguero, José; Elguero, Eric

2017-11-01

1125 X-ray structures of nitroxide free radicals presenting intermolecular hydrogen bonds have been reported in the Cambridge Structural Database. We will report in this paper a qualitative and quantitative analysis of these bonds. The observation in some plots of an excluded region was statistically analyzed using convex hull and kernel smooting methodologies. A theoretical study at the MP2 level with different basis has been carried out indicating that the nitronyl nitroxide radicals (five electrons) lie just in between nitroso compounds (four electrons) and amine N-oxides (six electrons) as far as hydrogen-bond basicity is concerned.

Features of surface phase formation during case-hardening of iron- and titanium-based alloys

NASA Astrophysics Data System (ADS)

Vintaikin, B. E.; Kamynin, A. V.; Kraposhin, V. S.; Smirnov, A. E.; Terezanova, K. V.; Cherenkova, S. A.; Sheykina, V. I.

2017-11-01

The article provides a detailed analysis of formation features for surface phases in technical iron and Cr20-Ni80 alloy samples that undergo case-hardening at a temperature of 850°C for 2, 4 and 6 hours of saturation in two different environments: acetylene, and molten salt consisting of sodium tetraborate and amorphous boron. We carried out an X-ray phase analysis to determine the phase structure of surface material layers that formed as a result of the case-hardening process. We discovered that after carburising it was possible to detect Fe3C and Fe-α phases on the surface of technical iron samples, and after boriding we found FeB, Fe2B and Fe3B phases; we noted a lack of characteristic Fe-α and Fe-γ peaks on the X-ray diffraction pattern. We detected many different phases in the Cr20-Ni80 alloy after the same type of case-hardening. Titanium oxides appeared after case-hardening of titanium in air at 800°C. We provide data on surface structure of samples subjected to vacuum carburising: over a 2 to 6 hour interval, the layer thickness is a parabolic function of time. When carrying out electrolysis-free liquid boriding, increasing exposure time from 2 to 6 hours alters the thickness of the strengthened layer only slightly, so, when carrying out case-hardening, it is less efficient to increase saturation time in molten salt containing sodium tetraborate and amorphous boron.

A Confirmatory Factor Analysis of the Structure of Abbreviated Math Anxiety Scale

PubMed Central

Farrokhi, Farahman

2011-01-01

Objective The aim of this study is to explore the confirmatory factor analysis results of the Persian adaptation of Abbreviated Math Anxiety Scale (AMAS), proposed by Hopko, Mahadevan, Bare & Hunt. Method The validity and reliability assessments of the scale were performed on 298 college students chosen randomly from Tabriz University in Iran. The confirmatory factor analysis (CFA) was carried out to determine the factor structures of the Persian version of AMAS. Results As expected, the two-factor solution provided a better fit to the data than a single factor. Moreover, multi-group analyses showed that this two-factor structure was invariant across sex. Hence, AMAS provides an equally valid measure for use among college students. Conclusions Brief AMAS demonstrates adequate reliability and validity. The AMAS scores can be used to compare symptoms of math anxiety between male and female students. The study both expands and adds support to the existing body of math anxiety literature. PMID:22952521

Application and Mechanics Analysis of Multi-Function Construction Platforms in Prefabricated-Concrete Construction

NASA Astrophysics Data System (ADS)

Wang, Meihua; Li, Rongshuai; Zhang, Wenze

2017-11-01

Multi-function construction platforms (MCPs) as an “old construction technology, new application” of the building facade construction equipment, its efforts to reduce labour intensity, improve labour productivity, ensure construction safety, shorten the duration of construction and other aspects of the effect are significant. In this study, the functional analysis of the multi-function construction platforms is carried out in the construction of the assembly building. Based on the general finite element software ANSYS, the static calculation and dynamic characteristics analysis of the MCPs structure are analysed, the simplified finite element model is constructed, and the selection of the unit, the processing and solution of boundary are under discussion and research. The maximum deformation value, the maximum stress value and the structural dynamic characteristic model are obtained. The dangerous parts of the platform structure are analysed, too. Multiple types of MCPs under engineering construction conditions are calculated, so as to put forward the rationalization suggestions for engineering application of the MCPs.

Crystal growth, structural, optical, dielectric and thermal studies of an amino acid based organic NLO material: L-Phenylalanine L-phenylalaninium malonate

NASA Astrophysics Data System (ADS)

Prakash, M.; Geetha, D.; Lydia Caroline, M.; Ramesh, P. S.

2011-12-01

Good transparent single crystals of L-phenylalanine L-phenylalaninium malonate (LPPMA) have been grown successfully by slow evaporation technique from aqueous solution. Single crystal X-ray diffractometer was utilized to measure unit cell parameter and to confirm the crystal structure. The chemical structure of compound was established by FT-NMR technique. The vibrational modes of the molecules of elucidated from FTIR spectra. Its optical behaviour has been examined by UV-vis spectral analysis, which shows the absence of absorbance in the visible region. Thermal properties of the LPPMA crystal were carried out by thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) techniques, which indicate that the material does not decompose before melting. The melting point of grown crystal was observed as 180 °C by melting point apparatus. The NLO property was confirmed by the powder technique of Kurtz and Perry. The dielectric behaviour of the sample was also studied for the first time.

An efficient signal processing tool for impedance-based structural health monitoring

NASA Astrophysics Data System (ADS)

O'Brien, Megan K.; Taylor, Stuart G.; Farinholt, Kevin M.; Park, Gyuhae; Farrar, Charles R.

2009-03-01

Various experimental studies have demonstrated that an impedance-based approach to structural health monitoring can be an effective means of damage detection. Using the self-sensing and active-sensing capabilities of piezoelectric materials, the electromechanical impedance response can be monitored to provide a qualitative indication of the overall health of a structure. Although impedance analyzers are commonly used to collect such data, they are bulky and impractical for long-term field implementation, so a smaller and more portable device is desired. However, impedance measurements often contain a sizeable number of data points, and a smaller device may not possess enough memory to store the required information, particularly for real-time analysis. Therefore, the amount of data used to assess the integrity of a structure must be significantly reduced. A new type of cross correlation analysis, for which impedance data is instantaneously correlated between different sensor sets and different frequency ranges, as opposed to be correlated to pre-stored baseline data, is proposed to drastically reduce the amount of data to a single correlation coefficient and provide a quantitative means of detecting damage relative to the sensor positions. The proposed analysis is carried out on a 3-story representative structure and its efficiency is demonstrated.

Sound insulation property of membrane-type acoustic metamaterials carrying different masses at adjacent cells

NASA Astrophysics Data System (ADS)

Zhang, Yuguang; Wen, Jihong; Zhao, Honggang; Yu, Dianlong; Cai, Li; Wen, Xisen

2013-08-01

We present the experimental realization and theoretical understanding of membrane-type acoustic metamaterials embedded with different masses at adjacent cells, capable of increasing the transmission loss at low frequency. Owing to the reverse vibration of adjacent cells, Transmission loss (TL) peaks appear, and the magnitudes of the TL peaks exceed the predicted results of the composite wall. Compared with commonly used configuration, i.e., all cells carrying with identical mass, the nonuniformity of attaching masses causes another much low TL peak. Finite element analysis was employed to validate and provide insights into the TL behavior of the structure.

Comparative XAFS studies of some Cobalt complexes of (3-N- phenyl -thiourea-pentanone-2)

NASA Astrophysics Data System (ADS)

soni, Namrata; Parsai, Neetu; Mishra, Ashutosh

2016-10-01

XAFS spectroscopy is a useful method for determining the local structure around a specific atom in disordered systems. XAFS study of some cobalt complexes of (3-N-phenyle- thiourea-pentanon-2) is carried out using the latest XAFS analysis software Demeter with Strawberry Perl. The same study is also carried out theoretically using Mathcad software. It is found that the thiourea has significant influence in the spectra and the results obtained experimentally and theoretically are in agreement. Fourier transform of the experimental and theoretically generated XAFS have been taken to obtain first shell radial distance. The values so obtained are in agreement with each other.

Effect of drying methods of microencapsulated Lactobacillus acidophilus and Lactococcus lactis ssp. cremoris on secondary protein structure and glass transition temperature as studied by Fourier transform infrared and differential scanning calorimetry.

PubMed

Dianawati, Dianawati; Mishra, Vijay; Shah, Nagendra P

2013-03-01

Protective mechanisms of casein-based microcapsules containing mannitol on Lactobacillus acidophilus and Lactococcus lactis ssp. cremoris, changes in their secondary protein structures, and glass transition of the microcapsules were studied after spray- or freeze-drying and after 10 wk of storage in aluminum foil pouches containing different desiccants (NaOH, LiCl, or silica gel) at 25°C. An in situ Fourier transform infrared analysis was carried out to recognize any changes in fatty acids (FA) of bacterial cell envelopes, interaction between polar site of cell envelopes and microcapsules, and alteration of their secondary protein structures. Differential scanning calorimetry was used to determine glass transition of microcapsules based on glass transition temperature (T(g)) values. Hierarchical cluster analysis based on functional groups of cell envelopes and secondary protein structures was also carried out to classify the microencapsulated bacteria due to the effects of spray- or freeze-drying and storage for 10 wk. The results showed that drying process did not affect FA and secondary protein structures of bacteria; however, those structures were affected during storage depending upon the type of desiccant used. Interaction between exterior of bacterial cell envelopes and microencapsulant occurred after spray- or freeze-drying; however, these structures were maintained after storage in foil pouch containing sodium hydroxide. Method of drying and type of desiccants influenced the level of similarities of microencapsulated bacteria. Desiccants and method of drying affected glass transition, yet no T(g) ≤25°C was detected. This study demonstrated that the changes in FA and secondary structures of the microencapsulated bacteria still occurred during storage at T(g) above room temperature, indicating that the glassy state did not completely prevent chemical activities. Copyright © 2013 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Aggregation and Disaggregation of Senile Plaques in Alzheimer Disease

NASA Astrophysics Data System (ADS)

Cruz, L.; Urbanc, B.; Buldyrev, S. V.; Christie, R.; Gomez-Isla, T.; Havlin, S.; McNamara, M.; Stanley, H. E.; Hyman, B. T.

1997-07-01

We quantitatively analyzed, using laser scanning confocal microscopy, the three-dimensional structure of individual senile plaques in Alzheimer disease. We carried out the quantitative analysis using statistical methods to gain insights about the processes that govern Aβ peptide deposition. Our results show that plaques are complex porous structures with characteristic pore sizes. We interpret plaque morphology in the context of a new dynamical model based on competing aggregation and disaggregation processes in kinetic steady-state equilibrium with an additional diffusion process allowing Aβ deposits to diffuse over the surface of plaques.

New Polymorph Form of Dexamethasone Acetate.

PubMed

Silva, Ronaldo Pedro da; Ambrósio, Mateus Felipe Schuchter; Piovesan, Luciana Almeida; Freitas, Maria Clara Ramalho; Aguiar, Daniel Lima Marques de; Horta, Bruno Araújo Cautiero; Epprecht, Eugenio Kahn; San Gil, Rosane Aguiar da Silva; Visentin, Lorenzo do Canto

2018-02-01

A new monohydrated polymorph of dexamethasone acetate was crystallized and its crystal structure characterized. The different analytical techniques used for describing its structural and vibrational properties were: single crystal and polycrystal X-ray diffraction, solid state nuclear magnetic resonance, infrared spectroscopy. A Hirshfeld surface analysis was carried out through self-arrangement cemented by H-bonds observed in this new polymorph. This new polymorph form appeared because of self-arrangement via classical hydrogen bonds around the water molecule. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

A simple iterative independent component analysis algorithm for vibration source signal identification of complex structures

NASA Astrophysics Data System (ADS)

Lee, Dong-Sup; Cho, Dae-Seung; Kim, Kookhyun; Jeon, Jae-Jin; Jung, Woo-Jin; Kang, Myeng-Hwan; Kim, Jae-Ho

2015-01-01

Independent Component Analysis (ICA), one of the blind source separation methods, can be applied for extracting unknown source signals only from received signals. This is accomplished by finding statistical independence of signal mixtures and has been successfully applied to myriad fields such as medical science, image processing, and numerous others. Nevertheless, there are inherent problems that have been reported when using this technique: instability and invalid ordering of separated signals, particularly when using a conventional ICA technique in vibratory source signal identification of complex structures. In this study, a simple iterative algorithm of the conventional ICA has been proposed to mitigate these problems. The proposed method to extract more stable source signals having valid order includes an iterative and reordering process of extracted mixing matrix to reconstruct finally converged source signals, referring to the magnitudes of correlation coefficients between the intermediately separated signals and the signals measured on or nearby sources. In order to review the problems of the conventional ICA technique and to validate the proposed method, numerical analyses have been carried out for a virtual response model and a 30 m class submarine model. Moreover, in order to investigate applicability of the proposed method to real problem of complex structure, an experiment has been carried out for a scaled submarine mockup. The results show that the proposed method could resolve the inherent problems of a conventional ICA technique.

Laboratory plant study on the melting process of asbestos waste

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

Sakai, Shinichi; Terazono, Atsushi; Takatsuki, Hiroshi

The melting process was studied as a method of changing asbestos into non-hazardous waste and recovering it as a reusable resource. In an initial effort, the thermal behaviors of asbestos waste in terms of physical and chemical structure have been studied. Then, 10 kg/h-scale laboratory plant experiments were carried out. By X-ray diffraction analysis, the thermal behaviors of sprayed-on asbestos waste revealed that chrysotile asbestos waste change in crystal structure at around 800 C, and becomes melted slag, mainly composed of magnesium silicate, at around 1,500 C. Laboratory plant experiments on the melting process of sprayed-on asbestos have shown thatmore » melted slag can be obtained. X-ray diffraction analysis of the melted slag revealed crystal structure change, and SEM analysis showed the slag to have a non-fibrous form. And more, TEM analysis proved the very high treatment efficiency of the process, that is, reduction of the asbestos content to 1/10{sup 6} as a weight basis. These analytical results indicate the effectiveness of the melting process for asbestos waste treatment.« less

Glycomic and glycoproteomic analysis of glycoproteins—a tutorial

DOE PAGES

Shajahan, Asif; Heiss, Christian; Ishihara, Mayumi; ...

2017-06-06

The structural analysis of glycoproteins is a challenging endeavor and is under steadily increasing demand, but only a very limited number of labs have the expertise required to accomplish this task. This tutorial is aimed at researchers from the fields of molecular biology and biochemistry that have discovered that glycoproteins are important in their biological research and are looking for the tools to elucidate their structure. It provides brief descriptions of the major and most common analytical techniques used in glycomics and glycoproteomics analysis, including explanations of the rationales for individual steps and references to published literature containing the experimentalmore » details necessary to carry out the analyses. Glycomics includes the comprehensive study of the structure and function of the glycans expressed in a given cell or organism along with identification of all the genes that encode glycoproteins and glycosyltransferases. Glycoproteomics which is subset of both glycomics and proteomics is the identification and characterization of proteins bearing carbohydrates as posttranslational modification. This tutorial is designed to ease entry into the glycomics and glycoproteomics field for those without prior carbohydrate analysis experience.« less

Glycomic and glycoproteomic analysis of glycoproteins—a tutorial

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

Shajahan, Asif; Heiss, Christian; Ishihara, Mayumi

The structural analysis of glycoproteins is a challenging endeavor and is under steadily increasing demand, but only a very limited number of labs have the expertise required to accomplish this task. This tutorial is aimed at researchers from the fields of molecular biology and biochemistry that have discovered that glycoproteins are important in their biological research and are looking for the tools to elucidate their structure. It provides brief descriptions of the major and most common analytical techniques used in glycomics and glycoproteomics analysis, including explanations of the rationales for individual steps and references to published literature containing the experimentalmore » details necessary to carry out the analyses. Glycomics includes the comprehensive study of the structure and function of the glycans expressed in a given cell or organism along with identification of all the genes that encode glycoproteins and glycosyltransferases. Glycoproteomics which is subset of both glycomics and proteomics is the identification and characterization of proteins bearing carbohydrates as posttranslational modification. This tutorial is designed to ease entry into the glycomics and glycoproteomics field for those without prior carbohydrate analysis experience.« less

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

Muljadi, Eduard; Hasan, Iftekhar; Husain, Tausif

This research examines the vibration and thermal characteristics of double-sided flux concentrating Transverse Flux Machines (TFM), designed for direct drive application. Two TFM prototypes with different stator cores, one with Quasi U-Core and the other with E-Core, has been used for the study. 3D Finite Element Analysis (FEA) has been carried out to determine the no-load and with load performance of the TFMs along with their fluctuating axial electromagnetic force densities acting on the stator teeth. The deformation response of the stator cores was observed in the static structural analysis. Thermal analysis for the TFM was performed through FEA basedmore » on copper and iron losses in the machine to examine the temperature rise in different parts of the machine structure. Acceleration and noise measurements were experimentally obtained to characterize the vibrational performance of the prototypes.« less

An FT-raman study of softwood, hardwood, and chemically modified black spruce MWLS

Treesearch

Umesh P. Agarwal; James D. McSweeny; Sally A. Ralph

1999-01-01

Raman spectroscopy is being increasingly used to carry out in situ analysis of wood and other lignocellulosics. To obtain useful information from the spectra, the vibrational bands need to be assigned in terms of contributions from various chemical components and component sub-structures. In additional, so that the technique can be better applied as an analytical...

Design study of the deepsky ultraviolet survey telescope. [Spacelab payload

NASA Technical Reports Server (NTRS)

Page, N. A.; Callaghan, F. G.; Killen, R. H.; Willis, W.

1977-01-01

Preliminary mechanical design and specifications are presented for a wide field ultraviolet telescope and detector to be carried as a Spacelab payload. Topics discussed include support structure stiffness (torsional and bending), mirror assembly, thermal control, optical alignment, attachment to the instrument pointing pallet, control and display, power requirements, acceptance and qualification test plans, cost analysis and scheduling. Drawings are included.

An almost trivial gauge theory in the limit of infinite gauge coupling constant.

NASA Astrophysics Data System (ADS)

Kaptanoglu, S.

A local SU(2) gauge theory with one multiplet of scalars in the adjoint representation is considered. In the limit of infinite gauge coupling constant Yang-Mills fields become auxiliary and the action possesses a larger invariance than the usual gauge invariance; hence, the system develops a richer structure of constraints. The constraint analysis is carried out.

The Application of Clustering Techniques to Citation Data. Research Reports Series B No. 6.

ERIC Educational Resources Information Center

Arms, William Y.; Arms, Caroline

This report describes research carried out as part of the Design of Information Systems in the Social Sciences (DISISS) project. Cluster analysis techniques were applied to a machine readable file of bibliographic data in the form of cited journal titles in order to identify groupings which could be used to structure bibliographic files. Practical…

A Multi-Perspective Genre Analysis of the Barrister's Opinion: Writing Context, Generic Structure, and Textualization

ERIC Educational Resources Information Center

Hafner, Christoph A.

2010-01-01

In teaching and researching English for Law, considerable effort has been put into the fine-grained description of legal genres and accounts of associated legal literacy practices. Much of this work has been carried out in the academic context, focusing especially on genres encountered by undergraduate law students. The range of genres which must…

Motivations for Choosing Teaching as a Career: Effects on General Pedagogical Knowledge during Initial Teacher Education

ERIC Educational Resources Information Center

Konig, Johannes; Rothland, Martin

2012-01-01

The authors first ask to what extent future teachers in Germany endorse teaching motivations indicated by the FIT-Choice scale. This includes reporting on the confirmatory factor analysis they carried out to examine and to replicate the FIT-Choice scale structure in the specific cultural context of Germany with a sample of 1287 preservice…

Circular Array of Magnetic Sensors for Current Measurement: Analysis for Error Caused by Position of Conductor.

PubMed

Yu, Hao; Qian, Zheng; Liu, Huayi; Qu, Jiaqi

2018-02-14

This paper analyzes the measurement error, caused by the position of the current-carrying conductor, of a circular array of magnetic sensors for current measurement. The circular array of magnetic sensors is an effective approach for AC or DC non-contact measurement, as it is low-cost, light-weight, has a large linear range, wide bandwidth, and low noise. Especially, it has been claimed that such structure has excellent reduction ability for errors caused by the position of the current-carrying conductor, crosstalk current interference, shape of the conduction cross-section, and the Earth's magnetic field. However, the positions of the current-carrying conductor-including un-centeredness and un-perpendicularity-have not been analyzed in detail until now. In this paper, for the purpose of having minimum measurement error, a theoretical analysis has been proposed based on vector inner and exterior product. In the presented mathematical model of relative error, the un-center offset distance, the un-perpendicular angle, the radius of the circle, and the number of magnetic sensors are expressed in one equation. The comparison of the relative error caused by the position of the current-carrying conductor between four and eight sensors is conducted. Tunnel magnetoresistance (TMR) sensors are used in the experimental prototype to verify the mathematical model. The analysis results can be the reference to design the details of the circular array of magnetic sensors for current measurement in practical situations.

Interactions between social/ behavioral factors and ADRB2 genotypes may be associated with health at advanced ages in China.

PubMed

Zeng, Yi; Cheng, Lingguo; Zhao, Ling; Tan, Qihua; Feng, Qiushi; Chen, Huashuai; Shen, Ke; Li, Jianxin; Zhang, Fengyu; Cao, Huiqing; Gregory, Simon G; Yang, Ze; Gu, Jun; Tao, Wei; Tian, Xiao-Li; Hauser, Elizabeth R

2013-09-09

Existing literature indicates that ADRB2 gene is associated with health and longevity, but none of previous studies investigated associations of carrying the ADRB2 minor alleles and interactions between ADRB2 genotypes and social/behavioral factors(GxE) with health outcomes at advanced ages. This study intends to fill in this research gap. We conducted an exploratory analysis, using longitudinal survey phenotype/genotype data from 877 oldest-old aged 90+. To estimate association of GxE interactions with health outcome, adjusted for the potential correlation between genotypes and social/behavioral factors and various other potentially confounding factors, we develop and test an innovative three-step procedure which combines logistic regression and structural equation methods. Interaction between regular exercise and carrying rs1042718 minor allele is significantly and positively associated with good cognitive function; interaction between regular exercise and carrying rs1042718 or rs1042719 minor allele is significantly and positively associated with self-reported good health; and interaction between social-leisure activities and carrying rs1042719 minor allele is significantly and positively associated with self-reported good health. Carrying rs1042718 or rs1042719 minor alleles is significantly and negatively associated with negative emotion, but the ADRB2 SNPs are not significantly associated with cognitive function and self-reported health. Our structural equation analysis found that, adjusted for the confounding effects of correlation of the ADRB2 SNPs with negative emotion, interaction between negative emotion and carrying rs1042718 or rs1042719 minor allele is significantly and negatively associated with cognitive function. The positive association of regular exercise and social-leisure activities with cognitive function and self-reported health, and negative association of negative emotion with cognitive function, were much stronger among carriers of rs1042718 or rs1042719 alleles, compared to the non-carriers. The results indicate significant positive associations of interactions between social/behavioral factors and the ADRB2 genotypes with health outcomes of cognitive function and self-reported health, and negative associations of carrying rs1042718 or rs1042719 minor alleles with negative emotion, at advanced ages in China. Our findings are exploratory rather than causal conclusions. This study implies that near-future health promotion programs considering individuals' genetic profiles, with appropriate protection of privacy/confidentiality, would yield increased benefits and reduced costs to the programs and their participants.

Electrospark doping of steel with tungsten

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

Denisova, Yulia, E-mail: yukolubaeva@mail.ru; Shugurov, Vladimir, E-mail: shugurov@opee.hcei.tsc.ru; Petrikova, Elizaveta, E-mail: elizmarkova@yahoo.com

2016-01-15

The paper is devoted to the numerical modeling of thermal processes and the analysis of the structure and properties of the surface layer of carbon steel subjected to electrospark doping with tungsten. The problem of finding the temperature field in the system film (tungsten) / substrate (iron) is reduced to the solution of the heat conductivity equation. A one-dimensional case of heating and cooling of a plate with the thickness d has been considered. Calculations of temperature fields formed in the system film / substrate synthesized using methods of electrospark doping have been carried out as a part of one-dimensionalmore » approximation. Calculations have been performed to select the mode of the subsequent treatment of the system film / substrate with a high-intensity pulsed electron beam. Authors revealed the conditions of irradiation allowing implementing processes of steel doping with tungsten. A thermodynamic analysis of phase transformations taking place during doping of iron with tungsten in equilibrium conditions has been performed. The studies have been carried out on the surface layer of the substrate modified using the method of electrospark doping. The results showed the formation in the surface layer of a structure with a highly developed relief and increased strength properties.« less

Design and analysis of a radio frequency extractor in an S-band relativistic klystron amplifier.

PubMed

Zhang, Zehai; Zhang, Jun; Shu, Ting; Qi, Zumin

2012-09-01

A radio frequency (RF) extractor converts the energy of a strongly modulated intense relativistic electron beam (IREB) into the energy of high power microwave in relativistic klystron amplifier (RKA). In the aim of efficiently extracting the energy of the modulated IREB, a RF extractor with all round coupling structure is proposed. Due to the all round structure, the operating transverse magnetic mode can be established easily and its resonant property can be investigated with an approach of group delay time. Furthermore, the external quality factor can be low enough. The design and analysis of the extractor applied in an S-band RKA are carried out, and the performance of the extractor is validated with three-dimensional (3D) particle-in-cell simulations. The extraction efficiency reaches 27% in the simulation with a totally 3D model of the whole RKA. The primary experiments are also carried out and the results show that the RF extractor with the external quality factor of 7.9 extracted 22% of the beam power and transformed it into the high power microwave. Better results are expected after the parasitic mode between the input and middle cavities is suppressed.

Design and analysis of a radio frequency extractor in an S-band relativistic klystron amplifier

NASA Astrophysics Data System (ADS)

Zhang, Zehai; Zhang, Jun; Shu, Ting; Qi, Zumin

2012-09-01

A radio frequency (RF) extractor converts the energy of a strongly modulated intense relativistic electron beam (IREB) into the energy of high power microwave in relativistic klystron amplifier (RKA). In the aim of efficiently extracting the energy of the modulated IREB, a RF extractor with all round coupling structure is proposed. Due to the all round structure, the operating transverse magnetic mode can be established easily and its resonant property can be investigated with an approach of group delay time. Furthermore, the external quality factor can be low enough. The design and analysis of the extractor applied in an S-band RKA are carried out, and the performance of the extractor is validated with three-dimensional (3D) particle-in-cell simulations. The extraction efficiency reaches 27% in the simulation with a totally 3D model of the whole RKA. The primary experiments are also carried out and the results show that the RF extractor with the external quality factor of 7.9 extracted 22% of the beam power and transformed it into the high power microwave. Better results are expected after the parasitic mode between the input and middle cavities is suppressed.

Direct cytotoxicity evaluation of 63S bioactive glass and bone-derived hydroxyapatite particles using yeast model and human chondrocyte cells by microcalorimetry.

PubMed

Doostmohammadi, A; Monshi, A; Fathi, M H; Karbasi, S; Braissant, O; Daniels, A U

2011-10-01

In this study, the cytotoxicity evaluation of prepared 63S bioactive glass and bone-derived hydroxyapatite particles with yeast and human chondrocyte cells was carried out using isothermal micro-nano calorimetry (IMNC), which is a new method for studying cell/biomaterial interactions. Bioactive glass particles were made via sol-gel method and hydroxyapatite was obtained from bovine bone. Elemental analysis was carried out by XRF and EDXRF. Amorphous structure of the glass and completely crystalline structure of HA were detected by XRD analysis. Finally, the cytotoxicity of bioactive glass and bone-derived HA particles with yeast and cultured human chondrocyte cells was evaluated using IMNC. The results confirmed the viability, growth and proliferation of human chondrocyte cells in contact with 63S bioactive glass, and bone-derived HA particles. Also the results indicated that yeast model which is much easier to handle, can be considered as a good proxy and can provide a rapid primary estimate of the ranges to be used in assays involving human cells. All of these results confirmed that IMNC is a convenient method which caters to measuring the cell-biomaterial interactions alongside the current methods.

Synthesis, pharmacology, crystal properties, and quantitative solvation studies from a drug transport perspective for three new 1,2,4-thiadiazoles.

PubMed

Perlovich, German L; Volkova, Tatyana V; Proshin, Alexey N; Sergeev, Dmitriy Yu; Bui, Cong Trinh; Petrova, Ludmila N; Bachurin, Sergey O

2010-09-01

A novel 1,2,4-thiadiazoles were synthesized. Crystal structures of these compounds were solved by X-ray diffraction experiments and comparative analysis of molecular conformational states, packing architecture, and hydrogen bonds networks were carried out. Thermodynamic aspects of sublimation processes of studied compounds were determined using temperature dependencies of vapor pressure. Thermophysical characteristics of the molecular crystals were obtained and compared with the sublimation and structural parameters. Solubility and solvation processes of 1,2,4-thiadiazoles in buffer, n-hexane and n-octanol were studied within the wide range of temperature intervals and thermodynamic functions were calculated. Specific and nonspecific interactions of molecules resolved in crystals and solvents were estimated and compared. Distribution processes of compounds in buffer/n-octanol and buffer/n-hexane systems (describing different types of membranes) were investigated. Analysis of transfer processes of studied molecules from the buffer to n-octanol/n-hexane phases was carried out by the diagram method with evaluation of the enthalpic and entropic terms. This approach allows us to design drug molecules with optimal passive transport properties. Calcium-blocking properties of the substances were evaluated.

Impact force as a scaling parameter

NASA Technical Reports Server (NTRS)

Poe, Clarence C., Jr.; Jackson, Wade C.

1994-01-01

The Federal Aviation Administration (FAR PART 25) requires that a structure carry ultimate load with nonvisible impact damage and carry 70 percent of limit flight loads with discrete damage. The Air Force has similar criteria (MIL-STD-1530A). Both civilian and military structures are designed by a building block approach. First, critical areas of the structure are determined, and potential failure modes are identified. Then, a series of representative specimens are tested that will fail in those modes. The series begins with tests of simple coupons, progresses through larger and more complex subcomponents, and ends with a test on a full-scale component, hence the term 'building block.' In order to minimize testing, analytical models are needed to scale impact damage and residual strength from the simple coupons to the full-scale component. Using experiments and analysis, the present paper illustrates that impact damage can be better understood and scaled using impact force than just kinetic energy. The plate parameters considered are size and thickness, boundary conditions, and material, and the impact parameters are mass, shape, and velocity.

Uncertain viscoelastic models with fractional order: A new spectral tau method to study the numerical simulations of the solution

NASA Astrophysics Data System (ADS)

Ahmadian, A.; Ismail, F.; Salahshour, S.; Baleanu, D.; Ghaemi, F.

2017-12-01

The analysis of the behaviors of physical phenomena is important to discover significant features of the character and the structure of mathematical models. Frequently the unknown parameters involve in the models are assumed to be unvarying over time. In reality, some of them are uncertain and implicitly depend on several factors. In this study, to consider such uncertainty in variables of the models, they are characterized based on the fuzzy notion. We propose here a new model based on fractional calculus to deal with the Kelvin-Voigt (KV) equation and non-Newtonian fluid behavior model with fuzzy parameters. A new and accurate numerical algorithm using a spectral tau technique based on the generalized fractional Legendre polynomials (GFLPs) is developed to solve those problems under uncertainty. Numerical simulations are carried out and the analysis of the results highlights the significant features of the new technique in comparison with the previous findings. A detailed error analysis is also carried out and discussed.

Structural, vibrational spectroscopic and nonlinear optical activity studies on 2-hydroxy- 3, 5-dinitropyridine: A DFT approach

NASA Astrophysics Data System (ADS)

Asath, R. Mohamed; Premkumar, S.; Jawahar, A.; Mathavan, T.; Dhas, M. Kumara; Benial, A. Milton Franklin

2015-06-01

The conformational analysis was carried out for 2-Hydroxy- 3, 5-dinitropyridine molecule using potential energy surface scan and the most stable optimized conformer was predicted. The vibrational frequencies and Mulliken atomic charge distribution were calculated for the optimized geometry of the molecule using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intramolecular charge transfer studies and the calculation of ionization energy, electron affinity, global hardness, chemical potential, electrophilicity index and softness values of the title molecule were carried out. The nonlinear optical activity of the molecule was studied by means of first order hyperpolarizability, which was computed as 7.64 times greater than urea. The natural bond orbital analysis was performed to confirm the nonlinear optical activity of the molecule.

Structure Topology Optimization of Brake Pad in Large- megawatt Wind Turbine Brake Considering Thermal- structural Coupling

NASA Astrophysics Data System (ADS)

Zhang, S. F.; Yin, J.; Liu, Y.; Sha, Z. H.; Ma, F. J.

2016-11-01

There always exists severe non-uniform wear of brake pad in large-megawatt wind turbine brake during the braking process, which has the brake pad worn out in advance and even threats the safety production of wind turbine. The root cause of this phenomenon is the non-uniform deformation caused by thermal-structural coupling effect between brake pad and disc while braking under the conditions of both high speed and heavy load. For this problem, mathematical model of thermal-structural coupling analysis is built. Based on the topology optimization method of Solid Isotropic Microstructures with Penalization, SIMP, structure topology optimization of brake pad is developed considering the deformation caused by thermal-structural coupling effect. The objective function is the minimum flexibility, and the structure topology optimization model of brake pad is established after indirect thermal- structural coupling analysis. Compared with the optimization result considering non-thermal- structural coupling, the conspicuous influence of thermal effect on brake pad wear and deformation is proven as well as the rationality of taking thermal-structural coupling effect as optimization condition. Reconstructed model is built according to the result, meanwhile analysis for verification is carried out with the same working condition. This study provides theoretical foundation for the design of high-speed and heavy-load brake pad. The new structure may provide design reference for improving the stress condition between brake pad and disc, enhancing the use ratio of friction material and increasing the working performance of large-megawatt wind turbine brake.

Terahertz Spectroscopy and Solid-State Density Functional Theory Calculations of Cyanobenzaldehyde Isomers.

PubMed

Dash, Jyotirmayee; Ray, Shaumik; Nallappan, Kathirvel; Kaware, Vaibhav; Basutkar, Nitin; Gonnade, Rajesh G; Ambade, Ashootosh V; Joshi, Kavita; Pesala, Bala

2015-07-23

Spectral signatures in the terahertz (THz) frequency region are mainly due to bulk vibrations of the molecules. These resonances are highly sensitive to the relative position of atoms in a molecule as well as the crystal packing arrangement. To understand the variation of THz resonances, THz spectra (2-10 THz) of three structural isomers: 2-, 3-, and 4-cyanobenzaldehyde have been studied. THz spectra obtained from Fourier transform infrared (FTIR) spectrometry of these isomers show that the resonances are distinctly different especially below 5 THz. For understanding the intermolecular interactions due to hydrogen bonds, four molecule cluster simulations of each of the isomers have been carried out using the B3LYP density functional with the 6-31G(d,p) basis set in Gaussian09 software and the compliance constants are obtained. However, to understand the exact reason behind the observed resonances, simulation of each isomer considering the full crystal structure is essential. The crystal structure of each isomer has been determined using X-ray diffraction (XRD) analysis for carrying out crystal structure simulations. Density functional theory (DFT) simulations using CRYSTAL14 software, utilizing the hybrid density functional B3LYP, have been carried out to understand the vibrational modes. The bond lengths and bond angles from the optimized structures are compared with the XRD results in terms of root-mean-square-deviation (RMSD) values. Very low RMSD values confirm the overall accuracy of the results. The simulations are able to predict most of the spectral features exhibited by the isomers. The results show that low frequency modes (<3 THz) are mediated through hydrogen bonds and are dominated by intermolecular vibrations.

Spartan service module finite element modeling technique and analysis

NASA Technical Reports Server (NTRS)

Lindenmoyer, A. J.

1985-01-01

Sounding rockets have served as a relatively inexpensive and easy method of carrying experiments into the upper atmosphere. Limited observation time and pointing capabilities suggested the development of a new sounding rocket type carrier compatible with NASA's Space Transportation System. This concept evolved into the Spartan program, now credited with a successful Spartan 101 mission launched in June 1985. The next series of Spartans will use a service module primary structure. This newly designed reusable and universal component in the Spartan carrier system required thorough analysis and evaluation for flight certification. Using advanced finite element modeling techniques, the structure was analyzed and determined acceptable by meeting strict design goals and will be tested for verification of the analytical results.

Generation of wavy structure on lipid membrane by peripheral proteins: a linear elastic analysis.

PubMed

Mahata, Paritosh; Das, Sovan Lal

2017-05-01

We carry out a linear elastic analysis to study wavy structure generation on lipid membrane by peripheral membrane proteins. We model the lipid membrane as linearly elastic and anisotropic material. The hydrophobic insertion by proteins into the lipid membrane has been idealized as penetration of rigid rod-like inclusions into the membrane and the electrostatic interaction between protein and membrane has been modeled by a distributed surface traction acting on the membrane surface. With the proposed model we study curvature generation by several binding domains of peripheral membrane proteins containing BAR domains and amphipathic alpha-helices. It is observed that electrostatic interaction is essential for curvature generation by the BAR domains. © 2017 Federation of European Biochemical Societies.

Orbital angular momentum light frequency conversion and interference with quasi-phase matching crystals.

PubMed

Zhou, Zhi-Yuan; Ding, Dong-Sheng; Jiang, Yun-Kun; Li, Yan; Shi, Shuai; Wang, Xi-Shi; Shi, Bao-Sen

2014-08-25

Light with helical phase structures, carrying quantized orbital angular momentum (OAM), has many applications in both classical and quantum optics, such as high-capacity optical communications and quantum information processing. Frequency conversion is a basic technique to expand the frequency range of the fundamental light. The frequency conversion of OAM-carrying light gives rise to new physics and applications such as up-conversion detection of images and generation of high dimensional OAM entanglements. Quasi-phase matching (QPM) nonlinear crystals are good candidates for frequency conversion, particularly due to their high-valued effective nonlinear coefficients and no walk-off effect. Here we report the first experimental second-harmonic generation (SHG) of an OAM-carried light with a QPM crystal, where a UV light with OAM of 100 ℏ is generated. OAM conservation is verified using a specially designed interferometer. With a pump beam carrying an OAM superposition of opposite sign, we observe interesting interference phenomena in the SHG light; specifically, a photonics gear-like structure is obtained that gives direct evidence of OAM conservation, which will be very useful for ultra-sensitive angular measurements. Besides, we also develop a theory to reveal the underlying physics of the phenomena. The methods and theoretical analysis shown here are also applicable to other frequency conversion processes, such as sum frequency generation and difference-frequency generation, and may also be generalized to the quantum regime for single photons.

Nonplanar property study of antifungal agent tolnaftate-spectroscopic approach

NASA Astrophysics Data System (ADS)

Arul Dhas, D.; Hubert Joe, I.; Roy, S. D. D.; Balachandran, S.

2011-09-01

Vibrational analysis of the thionocarbamate fungicide tolnaftate which is antidermatophytic, antitrichophytic and antimycotic agent, primarily inhibits the ergosterol biosynthesis in the fungus, was carried out using NIR FT-Raman and FTIR spectroscopic techniques. The equilibrium geometry, various bonding features, harmonic vibrational wavenumbers and torsional potential energy surface (PES) scan studies have been computed using density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA.4 program. Vibrational spectra, natural bonding orbital (NBO) analysis and optimized molecular structure show the clear evidence for electronic interaction of thionocarbamate group with aromatic ring. Predicted electronic absorption spectrum from TD-DFT calculation has been compared with the UV-vis spectrum. The Mulliken population analysis on atomic charges and the HOMO-LUMO energy were also calculated. Vibrational analysis reveals that the simultaneous IR and Raman activation of the C-C stretching mode in the phenyl and naphthalene ring provide evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity as a fungicide.

First report in Africa of two clinical isolates of Proteus mirabilis carrying Salmonella genomic island (SGI1) variants, SGI1-PmABB and SGI1-W.

PubMed

Soliman, Ahmed M; Ahmed, Ashraf M; Shimamoto, Toshi; El-Domany, Ramadan A; Nariya, Hirofumi; Shimamoto, Tadashi

2017-07-01

Two Proteus mirabilis strains, designated PmTAN59 and PmKAF126, were isolated from two different Egyptian cities in 2014 and 2015, respectively. PmTAN59 was isolated from a sputum swab from a pneumonia patient in Tanta University Teaching Hospital. PmKAF126 was isolated from a patient with a diabetic foot infection in a hospital in the city of Kafr El-Sheikh. The two isolates were identified with bacterial small ribosomal RNA (16S rRNA) gene amplification and sequencing and tested for antimicrobial sensitivity with a Kirby-Bauer disk diffusion assay. The two strains were resistant to amoxicillin/clavulante, ampicillin, cefotaxime, cefoxitin, ceftriaxone, chloramphenicol, ciprofloxacin, colistin, gentamicin, kanamycin, nalidixic acid, spectinomycin, streptomycin, sulfamethoxazole/trimethoprime, and tetracycline, but sensitive to aztreonam, imipenem, and meropenem. Molecular characterization was used to map the entire backbone, including the multiple antibiotic resistance (MDR) region, of Salmonella genomic island 1 (SGI1). Both isolates carried a structure similar to SGI1, with two different MDR regions corresponding to SGI1-PmABB in PmTAN59 and SGI1-W in PmKAF126. SGI1-PmABB carried an integron of ~1.5kb with a two-gene cassette, aacCA5-aadA7, which confers resistance to gentamicin, streptomycin, and spectinomycin, whereas SGI1-W carried an integron of ~1.9kb containing aadA2-lnuF, which confers resistance to spectinomycin, streptomycin, and lincosamides. PmKAF126 carried the entire SGI1 sequence, however PmTAN59 carried a SGI1 structure with a deletion in the region from ORF S005 to ORF S009 and accompanied by insertion of IS1359 (1258bp). Furthermore, PmTAN59 carried class 2 integron of ~2.2kb containing dfrA1-sat2-aadA1. An ERIC-PCR analysis detected no clonal relationship between the two strains. Molecular screening for other antimicrobial resistance genes and a plasmid analysis indicated that PmTAN59 carried an IncFIB plasmid type. This strain also carried bla TEM-1 and the plasmid-mediated quinolone-resistance gene qnrA1. However, PmKAF126 carried no plasmids and no resistance gene other than that contained in the MDR region of SGI1 and floR gene conferring resistance to florfenicol. To the best of our knowledge, this is the first report of an SGI1-positive P. mirabilis strain in Egypt or on the entire African continent. Copyright © 2017 Elsevier B.V. All rights reserved.

Experimental and computational approaches of a novel methyl (2E)-2-{[N-(2-formylphenyl)(4-methylbenzene)sulfonamido]methyl}-3-(4-chlorophenyl)prop-2-enoate: A potential antimicrobial agent and an inhibition of penicillin-binding protein

NASA Astrophysics Data System (ADS)

Murugavel, S.; Vetri velan, V.; Kannan, Damodharan; Bakthadoss, Manickam

2016-07-01

The title compound methyl(2E)-2-{[N-(2-formylphenyl) (4-methylbenzene)sulfonamido]methyl}-3-(4-chlorophenyl) prop-2-enoate (MFMSC) has been synthesized and single crystals were grown by slow evaporation solution growth technique at room temperature. Structural and vibrational spectroscopic studies were carried out by using single crystal X-ray diffraction, FT-IR and NMR spectral analysis together with DFT method using GAUSSIAN'03 software. The detailed interpretation of the vibrational spectra has been carried out by VEDA program. NBO analysis, Mulliken charge analysis, HOMO-LUMO, MEP, Global chemical reactivity descriptors and thermodynamic properties have been analyzed. The hyperpolarisability calculation reveals the present material has a reasonably good propensity for nonlinear optical activity. The obtained antimicrobial activity results indicate that the compound shows good to moderate activity against all tested bacterial and fungal pathogens. A computational study was also carried out to predict the drug-likeness and ADMET properties of the title compound. Due to the different potential biological activity of the title compound, molecular docking study is also reported and the compound might exhibit inhibitory activity against penicillin-binding protein PBP-2X.

Surface modification of Ti alloy by electro-explosive alloying and electron-beam treatment

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

Gromov, Victor, E-mail: gromov@physics.sibsiu.ru; Kobzareva, Tatiana, E-mail: kobzarevatanya@mail.ru; Budovskikh, Evgeniy, E-mail: budovskih-ea@physics.sibsiu.ru

2016-01-15

By methods of modern physical metallurgy the analysis of structure phase states of titanium alloy VT6 is carried out after electric explosion alloying with boron carbide and subsequent irradiation by pulsed electron beam. The formation of an electro-explosive alloying zone of a thickness up to 50 µm, having a gradient structure, characterized by decrease in the concentration of carbon and boron with increasing distance to the treatable surface has been revealed. Subsequent electron-beam treatment of alloying zone leads to smoothing of the alloying area surface and is accompanied by the multilayer structure formation at the depth of 30 µm withmore » alternating layers with different alloying degrees having the structure of submicro - and nanoscale level.« less

Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study.

PubMed

Di Paolo, Matias; Bossi, Mariano L; Baggio, Ricardo; Suarez, Sebastián A

2016-10-01

The synthesis, characterization, structural analysis and fluorescence properties of two rhodamine 6G derivatives are described, namely a propargylamine derivative, 3',6'-bis(ethylamino)-2',7'-dimethyl-2-(methylcyanide)spiro[isoindole-1,9'-xanthen]-3(2H)-one (I), and a γ-aminobutyric acid (GABA) derivative, 3',6'-bis(ethylamino)-2',7'-dimethyl-3-oxospiro[isoindole-1,9'-xanthen]-2(3H)-yl)butyricacid (II). Both structures are compared with four similar ones from the Cambridge Structural Database (CSD), and the interactions involved in the stabilization are analyzed using the atoms in molecules (AIM) theory. Finally, a single-crystal in-situ reaction study is presented, carried out by fluorescence methods, which enabled the `opening' of the spirolactam ring in the solid phase.

Numerical modelling of electromagnetic loads on fusion device structures

NASA Astrophysics Data System (ADS)

Bettini, Paolo; Furno Palumbo, Maurizio; Specogna, Ruben

2014-03-01

In magnetic confinement fusion devices, during abnormal operations (disruptions) the plasma begins to move rapidly towards the vessel wall in a vertical displacement event (VDE), producing plasma current asymmetries, vessel eddy currents and open field line halo currents, each of which can exert potentially damaging forces upon the vessel and in-vessel components. This paper presents a methodology to estimate electromagnetic loads, on three-dimensional conductive structures surrounding the plasma, which arise from the interaction of halo-currents associated to VDEs with a magnetic field of the order of some Tesla needed for plasma confinement. Lorentz forces, calculated by complementary formulations, are used as constraining loads in a linear static structural analysis carried out on a detailed model of the mechanical structures of a representative machine.

SFM-FDTD analysis of triangular-lattice AAA structure: Parametric study of the TEM mode

NASA Astrophysics Data System (ADS)

Hamidi, M.; Chemrouk, C.; Belkhir, A.; Kebci, Z.; Ndao, A.; Lamrous, O.; Baida, F. I.

2014-05-01

This theoretical work reports a parametric study of enhanced transmission through annular aperture array (AAA) structure arranged in a triangular lattice. The effect of the incidence angle in addition to the inner and outer radii values on the evolution of the transmission spectra is carried out. To this end, a 3D Finite-Difference Time-Domain code based on the Split Field Method (SFM) is used to calculate the spectral response of the structure for any angle of incidence. In order to work through an orthogonal unit cell which presents the advantage to reduce time and space of computation, special periodic boundary conditions are implemented. This study provides a new modeling of AAA structures useful for producing tunable ultra-compact devices.

Computational methods for structural load and resistance modeling

NASA Technical Reports Server (NTRS)

Thacker, B. H.; Millwater, H. R.; Harren, S. V.

1991-01-01

An automated capability for computing structural reliability considering uncertainties in both load and resistance variables is presented. The computations are carried out using an automated Advanced Mean Value iteration algorithm (AMV +) with performance functions involving load and resistance variables obtained by both explicit and implicit methods. A complete description of the procedures used is given as well as several illustrative examples, verified by Monte Carlo Analysis. In particular, the computational methods described in the paper are shown to be quite accurate and efficient for a material nonlinear structure considering material damage as a function of several primitive random variables. The results show clearly the effectiveness of the algorithms for computing the reliability of large-scale structural systems with a maximum number of resolutions.

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.

Seismic performance evaluation of an historical concrete deck arch bridge using survey and drawing of the damages, in situ tests, dynamic identification and pushover analysis

NASA Astrophysics Data System (ADS)

Bergamo, Otello; Russo, Eleonora; Lodolo, Fabio

2017-07-01

The paper describes the performance evaluation of a retrofit historical multi-span (RC) deck arch bridge analyzed with in situ tests, dynamic identification and FEM analysis. The peculiarity of this case study lies in the structural typology of "San Felice" bridge, an historical concrete arch bridge built in the early 20th century, a quite uncommon feature in Italy. The preservation and retrofit of historic cultural heritage and infrastructures has been carefully analyzed in the international codes governing seismic response. A complete survey of the bridge was carried out prior to sketching a drawing of the existing bridge. Subsequently, the study consists in four steps: material investigation and dynamic vibration tests, FEM analysis and calibration, retrofit assessment, pushover analysis. The aim is to define an innovative approach to calibrate the FEM analysis through modern experimental investigations capable of taking structural deterioration into account, and to offer an appropriate and cost-effective retrofitting strategy.

Citation Sentiment Analysis in Clinical Trial Papers

PubMed Central

Xu, Jun; Zhang, Yaoyun; Wu, Yonghui; Wang, Jingqi; Dong, Xiao; Xu, Hua

2015-01-01

In scientific writing, positive credits and negative criticisms can often be seen in the text mentioning the cited papers, providing useful information about whether a study can be reproduced or not. In this study, we focus on citation sentiment analysis, which aims to determine the sentiment polarity that the citation context carries towards the cited paper. A citation sentiment corpus was annotated first on clinical trial papers. The effectiveness of n-gram and sentiment lexicon features, and problem-specified structure features for citation sentiment analysis were then examined using the annotated corpus. The combined features from the word n-grams, the sentiment lexicons and the structure information achieved the highest Micro F-score of 0.860 and Macro-F score of 0.719, indicating that it is feasible to use machine learning methods for citation sentiment analysis in biomedical publications. A comprehensive comparison between citation sentiment analysis of clinical trial papers and other general domains were conducted, which additionally highlights the unique challenges within this domain. PMID:26958274

Analysis of high-rise constructions with the using of three-dimensional models of rods in the finite element program PRINS

NASA Astrophysics Data System (ADS)

Agapov, Vladimir

2018-03-01

The necessity of new approaches to the modeling of rods in the analysis of high-rise constructions is justified. The possibility of the application of the three-dimensional superelements of rods with rectangular cross section for the static and dynamic calculation of the bar and combined structures is considered. The results of the eighteen-story spatial frame free vibrations analysis using both one-dimensional and three-dimensional models of rods are presented. A comparative analysis of the obtained results is carried out and the conclusions on the possibility of three-dimensional superelements application in static and dynamic analysis of high-rise constructions are given on its basis.

Modelling, design and stability analysis of an improved SEPIC converter for renewable energy systems

NASA Astrophysics Data System (ADS)

G, Dileep; Singh, S. N.; Singh, G. K.

2017-09-01

In this paper, a detailed modelling and analysis of a switched inductor (SI)-based improved single-ended primary inductor converter (SEPIC) has been presented. To increase the gain of conventional SEPIC converter, input and output side inductors are replaced with SI structures. Design and stability analysis for continuous conduction mode operation of the proposed SI-SEPIC converter has also been presented in this paper. State space averaging technique is used to model the converter and carry out the stability analysis. Performance and stability analysis of closed loop configuration is predicted by observing the open loop behaviour using Nyquist diagram and Nichols chart. System was found to stable and critically damped.

Complexes of oligo(poly)nucleotides with structural anomalies

NASA Astrophysics Data System (ADS)

Dolinnaya, N. G.; Gryaznova, O. I.

1989-08-01

The results of studies on the structure and properties of DNA-RNA hybrids and complexes of oligo(poly)nucleotides containing non-canonical base pairs or unpaired bases both within and at the ends of the double helix are surveyed. The methods used in the study of such systems are briefly characterised: X-ray diffraction analysis, NMR and UV spectroscopy, circular dichroism, scanning microcalorimetry, etc. A comparative analysis of the influence of the non-canonical pairs on the structure and the energetic and kinetic parameters of the formation and dissociation of the oligonucleotide complexes has been carried out. The question of the stability of the non-canonical pairs as a function of their nature and position in the double helix is considered. The mechanisms of the formation of the hydrogen bonds between the bases of non-complementary pairs are discussed. The bibliography includes 171 references.

Synthesis, spectroscopic characterization (FT-IR, FT-Raman, and NMR), quantum chemical studies and molecular docking of 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione.

PubMed

Avdović, Edina H; Milenković, Dejan; Dimitrić Marković, Jasmina M; Đorović, Jelena; Vuković, Nenad; Vukić, Milena D; Jevtić, Verica V; Trifunović, Srećko R; Potočňák, Ivan; Marković, Zoran

2018-04-15

The experimental and theoretical investigations of structure of the 3-(1-(phenylamino)ethylidene)-chroman-2,4-dione were performed. X-ray structure analysis and spectroscopic methods (FTIR and FT-Raman, 1 H and 13 C NMR), along with the density functional theory calculations (B3LYP functional with empirical dispersion corrections D3BJ in combination with the 6-311 + G(d,p) basis set), were used in order to characterize the molecular structure and spectroscopic behavior of the investigated coumarin derivative. Molecular docking analysis was carried out to identify the potency of inhibition of the title molecule against human's Ubiquinol-Cytochrome C Reductase Binding Protein (UQCRB) and Methylenetetrahydrofolate reductase (MTHFR). The inhibition activity was obtained for ten conformations of ligand inside the proteins. Copyright © 2018 Elsevier B.V. All rights reserved.

Evaluate the application of modal test and analysis processes to structural fault detection in MSFC - STS project elements

NASA Technical Reports Server (NTRS)

Springer, William T.

1987-01-01

The Space Transportation System (STS) is a complex and expensive flight system intended to carry unique payloads into low Earth orbit and return. A catastrophic failure, such as STS 51-L, resulted in the loss of both human life as well as expensive and unique hardware. The impact of this incident reaffirms the need to do everything possible to ensure the integrity and reliability of STS. One means of achieving this goal is to expand the number of inspection technologies available. Reported here is the evaluation of the use of modal analysis and test techniques for the purpose of assessing the structural integrity of STS components for which Marshall Space Flight Center has responsibility. This entailed reviewing existing literature and developing a low-level experimental program determine the feasibility of using this technology for structural fault detection.

Sequence and structural characterization of Trx-Grx type of monothiol glutaredoxins from Ashbya gossypii.

PubMed

Yadav, Saurabh; Kumari, Pragati; Kushwaha, Hemant Ritturaj

2013-01-01

Glutaredoxins are enzymatic antioxidants which are small, ubiquitous, glutathione dependent and essentially classified under thioredoxin-fold superfamily. Glutaredoxins are classified into two types: dithiol and monothiol. Monothiol glutaredoxins which carry the signature "CGFS" as a redox active motif is known for its role in oxidative stress, inside the cell. In the present analysis, the 138 amino acid long monothiol glutaredoxin, AgGRX1 from Ashbya gossypii was identified and has been used for the analysis. The multiple sequence alignment of the AgGRX1 protein sequence revealed the characteristic motif of typical monothiol glutaredoxin as observed in various other organisms. The proposed structure of the AgGRX1 protein was used to analyze signature folds related to the thioredoxin superfamily. Further, the study highlighted the structural features pertaining to the complex mechanism of glutathione docking and interacting residues.

Analysis of gravity data beneath Endut geothermal prospect using horizontal gradient and Euler deconvolution

NASA Astrophysics Data System (ADS)

Supriyanto, Noor, T.; Suhanto, E.

2017-07-01

The Endut geothermal prospect is located in Banten Province, Indonesia. The geological setting of the area is dominated by quaternary volcanic, tertiary sediments and tertiary rock intrusion. This area has been in the preliminary study phase of geology, geochemistry, and geophysics. As one of the geophysical study, the gravity data measurement has been carried out and analyzed in order to understand geological condition especially subsurface fault structure that control the geothermal system in Endut area. After precondition applied to gravity data, the complete Bouguer anomaly have been analyzed using advanced derivatives method such as Horizontal Gradient (HG) and Euler Deconvolution (ED) to clarify the existance of fault structures. These techniques detected boundaries of body anomalies and faults structure that were compared with the lithologies in the geology map. The analysis result will be useful in making a further realistic conceptual model of the Endut geothermal area.

Analysis of Harmonic Vibration of Cable-Stayed Footbridge under the Influence of Changes of the Cables Tension

NASA Astrophysics Data System (ADS)

Pakos, Wojciech

2015-09-01

The paper presents numerical analysis of harmonically excited vibration of a cable-stayed footbridge caused by a load function simulating crouching (squats) while changing the static tension in chosen cables. The intentional synchronized motion (e.g., squats) of a single person or group of persons on the footbridge with a frequency close to the natural frequency of the structure may lead to the resonant vibrations with large amplitudes. The appropriate tension changes in some cables cause detuning of resonance on account of stiffness changes of structures and hence detuning in the natural frequency that is close to the excitation frequency. The research was carried out on a 3D computer model of a real structure - a cable-stayed steel footbridge in Leśnica, a quarter of Wrocław, Poland, with the help of standard computer software based on FEM COSMOS/M System.

Fracture control methods for space vehicles. Volume 1: Fracture control design methods. [for space shuttle configuration planning

NASA Technical Reports Server (NTRS)

Liu, A. F.

1974-01-01

A systematic approach for applying methods for fracture control in the structural components of space vehicles consists of four major steps. The first step is to define the primary load-carrying structural elements and the type of load, environment, and design stress levels acting upon them. The second step is to identify the potential fracture-critical parts by means of a selection logic flow diagram. The third step is to evaluate the safe-life and fail-safe capabilities of the specified part. The last step in the sequence is to apply the control procedures that will prevent damage to the fracture-critical parts. The fracture control methods discussed include fatigue design and analysis methods, methods for preventing crack-like defects, fracture mechanics analysis methods, and nondestructive evaluation methods. An example problem is presented for evaluation of the safe-crack-growth capability of the space shuttle crew compartment skin structure.

The influence of oxidation time on the properties of oxidized zinc films

NASA Astrophysics Data System (ADS)

Rambu, A. P.

2012-09-01

The effect of oxidation time on the structural characteristics and electronic transport mechanism of zinc oxide thin films prepared by thermal oxidation, have been investigated. Zinc metallic films were deposited by thermal evaporation under vacuum, the subsequent oxidation of Zn films being carried out in open atmosphere. XRD and AFM analysis indicate that obtained films posses a polycrystalline structure, the crystallites having a preferential orientation. Structural analysis reveals that microstructure of the films (crystallite size, surface roughness, internal stress) is depending on the oxidation time of metallic films. The electrical behavior of ZnO films was investigated, during a heat treatment (two heating/cooling cycles). It was observed that after the first heating, the temperature dependences of electrical conductivity become reversible. Mott variable range hopping model was proposed to analyze the temperature dependence of the electrical conductivity, in low temperature ranges. Values of some characteristic parameters were calculated.

Seismic analysis of the frame structure reformed by cutting off column and jacking based on stiffness ratio

NASA Astrophysics Data System (ADS)

Zhao, J. K.; Xu, X. S.

2017-11-01

The cutting off column and jacking technology is a method for increasing story height, which has been widely used and paid much attention in engineering. The stiffness will be changed after the process of cutting off column and jacking, which directly affects the overall seismic performance. It is usually necessary to take seismic strengthening measures to enhance the stiffness. A five story frame structure jacking project in Jinan High-tech Zone was taken as an example, and three finite element models were established which contains the frame model before lifting, after lifting and after strengthening. Based on the stiffness, the dynamic time-history analysis was carried out to research its seismic performance under the EL-Centro seismic wave, the Taft seismic wave and the Tianjin artificial seismic wave. The research can provide some guidance for the design and construction of the entire jack lifting structure.

Three-Dimensional Integrated Survey for Building Investigations.

PubMed

Costantino, Domenica; Angelini, Maria Giuseppa

2015-11-01

The study shows the results of a survey aimed to represent a building collapse and the feasibility of the modellation as a support of structure analysis. An integrated survey using topographic, photogrammetric, and terrestrial laser techniques was carried out to obtain a three-dimensional (3D) model of the building, plans and prospects, and the particulars of the collapsed area. Authors acquired, by a photogrammetric survey, information about regular parties of the structure; while using laser scanner data they reconstructed a set of more interesting architectural details and areas with higher surface curvature. Specifically, the process of texture provided a detailed 3D structure of the areas under investigation. The analysis of the data acquired resulted to be very useful both in identifying the causes of the disaster and also in helping the reconstruction of the collapsed corner showing the contribution that the integrated surveys can give in preserving architectural and historic heritage. © 2015 American Academy of Forensic Sciences.

Development of pair distribution function analysis

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

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

1996-09-01

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

Vibrational spectroscopic and structural investigations on fullerene: A DFT approach

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

Christy, P. Anto; Premkumar, S.; Asath, R. Mohamed

2016-05-06

The molecular structure of fullerene (C{sub 60}) molecule was optimized by the DFT/B3LYP method with 6-31G and 6-31G(d,p) basis sets using Gaussian 09 program. The vibrational frequencies were calculated for the optimized molecular structure of the molecule. The calculated vibrational frequencies confirm that the molecular structure of the molecule was located at the minimum energy potential energy surface. The calculated vibrational frequencies were assigned on the basis of functional group analysis and also confirmed using the GaussView 05 software. The frontier molecular orbitals analysis was carried out. The FMOs related molecular properties were predicted. The higher ionization potential, higher electronmore » affinity, higher softness, lower band gap energy and lower hardness values were obtained, which confirm that the fullerene molecule has a higher molecular reactivity. The Mulliken atomic charge distribution of the molecule was also calculated. Hence, these results play an important role due to its potential applications as drug delivery devices.« less

From Survey to FEM Analysis for Documentation of Built Heritage: the Case Study of Villa Revedin-Bolasco

NASA Astrophysics Data System (ADS)

Guarnieri, A.; Fissore, F.; Masiero, A.; Di Donna, A.; Coppa, U.; Vettore, A.

2017-05-01

In the last decade advances in the fields of close-range photogrammetry, terrestrial laser scanning (TLS) and computer vision (CV) have enabled to collect different kind of information about a Cultural Heritage objects and to carry out highly accurate 3D models. Additionally, the integration between laser scanning technology and Finite Element Analysis (FEA) is gaining particular interest in recent years for structural analysis of built heritage, since the increasing computational capabilities allow to manipulate large datasets. In this note we illustrate the approach adopted for surveying, 3D modeling and structural analysis of Villa Revedin-Bolasco, a magnificent historical building located in the small walled town of Castelfranco Veneto, in northern Italy. In 2012 CIRGEO was charged by the University of Padova to carry out a survey of the Villa and Park, as preliminary step for subsequent restoration works. The inner geometry of the Villa was captured with two Leica Disto D3a BT hand-held laser meters, while the outer walls of the building were surveyed with a Leica C10 and a Faro Focus 3D 120 terrestrial laser scanners. Ancillary GNSS measurements were also collected for 3D laser model georeferencing. A solid model was then generated from the laser global point cloud in Rhinoceros software, and portion of it was used for simulation in a Finite Element Analysis (FEA). In the paper we discuss in detail all the steps and challenges addressed and solutions adopted concerning the survey, solid modeling and FEA from laser scanning data of the historical complex of Villa Revedin-Bolasco.

Mass spectrometric analysis of O-linked oligosaccharides from various recombinant expression systems.

PubMed

Kenny, Diarmuid T; Gaunitz, Stefan; Hayes, Catherine A; Gustafsson, Anki; Sjöblom, Magnus; Holgersson, Jan; Karlsson, Niclas G

2013-01-01

Analysis of O-linked glycosylation is one of the main challenges during structural validation of recombinant glycoproteins. With methods available for N-linked glycosylation in regard to oligosaccharide analysis as well as glycopeptide mapping, there are still challenges for O-linked glycan analysis. Here, we present mass spectrometric methodology for O-linked oligosaccharides released by reductive β-elimination. Using LC-MS and LC-MS(2) with graphitized carbon columns, oligosaccharides are analyzed without derivatization. This approach provides a high-throughput method for screening during clonal selection, as well as product structure verification, without impairing sequencing ability. The protocols are exemplified by analysis of glycoproteins from mammalian cell cultures (CHO cells) as well as insect cells and yeast. The data shows that the method can be successfully applied to both neutral and acidic O-linked oligosaccharides, where sialic acid, hexuronic acid, and sulfate are common substituents. Further characterization of O-glycans can be achieved using permethylation. Permethylation of O-linked oligosaccharides followed by direct infusion into the mass spectrometer provide information about oligosaccharide composition, and subsequent MS (n) experiments can be carried out to elucidate oligosaccharide structure including linkage information and sequence.

DFT simulation, quantum chemical electronic structure, spectroscopic and structure-activity investigations of 2-benzothiazole acetonitrile.

PubMed

Arjunan, V; Thillai Govindaraja, S; Jose, Sujin P; Mohan, S

2014-07-15

The Fourier transform infrared and FT-Raman spectra of 2-benzothiazole acetonitrile (BTAN) have been recorded in the range 4000-450 and 4000-100 cm(-1) respectively. The conformational analysis of the compound has been carried out to obtain the stable geometry of the compound. The complete vibrational assignment and analysis of the fundamental modes of the compound are carried out using the experimental FTIR and FT-Raman data and quantum chemical studies. The experimental vibrational frequencies are compared with the wavenumbers derived theoretically by B3LYP gradient calculations employing the standard 6-31G(**), high level 6-311++G(**) and cc-pVTZ basis sets. The structural parameters, thermodynamic properties and vibrational frequencies of the normal modes obtained from the B3LYP methods are in good agreement with the experimental data. The (1)H (400 MHz; CDCl3) and (13)C (100 MHz;CDCl3) nuclear magnetic resonance (NMR) spectra are also recorded. The electronic properties, the energies of the highest occupied and lowest unoccupied molecular orbitals are measured by DFT approach. The kinetic stability of the molecule has been determined from the frontier molecular orbital energy gap. The charges of the atoms and the structure-chemical reactivity relations of the compound are determined by its chemical potential, global hardness, global softness, electronegativity, electrophilicity and local reactivity descriptors by conceptual DFT methods. The non-linear optical properties of the compound have been discussed by measuring the polarisability and hyperpolarisability tensors. Copyright © 2014 Elsevier B.V. All rights reserved.

Load Diffusion in Composite and Smart Structures

NASA Technical Reports Server (NTRS)

Horgan, C. O.

2003-01-01

The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for the multi-functional large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Some specific problems recently considered were those of end effects in smart materials and structures, study of the stress response of pressurized linear piezoelectric cylinders for both static and steady rotating configurations, an analysis of the effect of pre-stressing and pre-polarization on the decay of end effects in piezoelectric solids and investigation of constitutive models for hardening rubber-like materials. Our goal in the study of load diffusion is the development of readily applicable results for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses. The decay behavior of stresses and other field quantities provides a significant aid towards this process. The analysis is also amenable to parameter study with a large parameter space and should be useful in structural tailoring studies. Special purpose analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and in assessing results from general purpose finite element analyses. For example, a rational basis is needed in choosing where to use three-dimensional to two-dimensional transition finite elements in analyzing stiffened plates and shells. The decay behavior of stresses and other field quantities furnished by this research provides a significant aid towards this element transition issue. A priori knowledge of the extent of boundary-layers induced by edge effects is also useful in determination of the instrumentation location in structural verification tests or in material characterization tests.

Study on transport infrastructure as mechanism of long-term urban planning strategies

NASA Astrophysics Data System (ADS)

Popova, Olga; Martynov, Kirill; Khusnutdinov, Rinat

2017-10-01

In this article, the authors carry out the research of the transport infrastructure. The authors have developed an algorithm for quality assessment of transport networks and connectivity of urban development areas. The results of the research are presented on the example of several central city quarters of Arkhangelsk city. The analysis was carried out by clustering objects (separate quarters of the Arkhangelsk city) using of SOM in comparable groups with a high level of similarity of characteristics inside each group. The result of clustering was 5 clusters with different levels of transport infrastructure. The novelty of the study is to justification for advantages of applying structural analysis for qualitative ranking of areas. The advantage of the proposed methodology is that it gives the opportunity both to compare the transport infrastructure quality of different city quarters and to determine the strategy for its development with a list of specific activities.

Design and analysis of magneto rheological fluid brake for an all terrain vehicle

NASA Astrophysics Data System (ADS)

George, Luckachan K.; Tamilarasan, N.; Thirumalini, S.

2018-02-01

This work presents an optimised design for a magneto rheological fluid brake for all terrain vehicles. The actuator consists of a disk which is immersed in the magneto rheological fluid surrounded by an electromagnet. The braking torque is controlled by varying the DC current applied to the electromagnet. In the presence of a magnetic field, the magneto rheological fluid particle aligns in a chain like structure, thus increasing the viscosity. The shear stress generated causes friction in the surfaces of the rotating disk. Electromagnetic analysis of the proposed system is carried out using finite element based COMSOL multi-physics software and the amount of magnetic field generated is calculated with the help of COMSOL. The geometry is optimised and performance of the system in terms of braking torque is carried out. Proposed design reveals better performance in terms of braking torque from the existing literature.

N-propyl nitrate vibrational spectrum analysis using DFT B3LYP quantum-chemical method

NASA Astrophysics Data System (ADS)

Shaikhullina, R. M.; Hrapkovsky, G. M.; Shaikhullina, M. M.

2018-05-01

Calculation of a molecular structure, conformation and related vibrational spectra of the n- propyl nitrate C3H7NO3 was carried out by means of density functional theory (DFT) by employing the Gaussian 03 package. The molecular geometries were fully optimized by using the Becker's three-parameter hybrid exchange functional combined with the Lee–Yang–Parr correlation functional (B3LYP) and using the 6-31G(d) basis set. By scanning the dihedral angles around C-O and C-C bonds, five energetically most favorable conformers of n-propyl nitrate - TG, TT, GT, GG and G´G forms were found. Vibrational spectra of the most energetically favorable conformers were calculated. The comparative analysis of calculated and experimental spectra is carried out, the spectral features of the conformational state of n-propyl nitrate and the spectral effects of formation of intramolecular hydrogen bonds are established.

Non-invasive characterisation of SIX Japanese hand-guards (tsuba)

NASA Astrophysics Data System (ADS)

Barzagli, Elisa; Grazzi, Francesco; Civita, Francesco; Scherillo, Antonella; Pietropaolo, Antonino; Festa, Giulia; Zoppi, Marco

2013-12-01

In this work we present a systematic study of Japanese sword hand-guards ( tsuba) carried out by means of non-invasive techniques using neutrons. Several tsuba from different periods, belonging to the Japanese Section of the Stibbert Museum, were analysed using an innovative approach to characterise the bulk of the samples, coupling two neutron techniques, namely Time of Flight Neutron Diffraction (ToF-ND) and Nuclear Resonance Capture Analysis (NRCA). The measurements were carried out on the same instrument: the INES beam-line at the ISIS spallation pulsed neutron source (UK). NRCA analysis allows identifying the elements present in the sample gauge volume, while neutron diffraction is exploited to quantify the phase distribution and other micro-structural parameters of the metal specimen. The results show that all samples are made of high-quality metal, either steel or copper alloy, with noticeable changes in composition and working techniques, depending on the place and time of manufacturing.

Research on the analytical method about influence of gas leakage and explosion on subway

NASA Astrophysics Data System (ADS)

Ji, Wendong; Yang, Ligong; Chen, Lin

2018-05-01

With the construction and development of city subway, the cross impact of underground rail transit and gas pipe network is becoming more and more serious, but there is no analytical method for the impact of gas explosions on the subway. According to this paper, the gas leakage is equivalent to the TNT explosion equivalent, based on which, the calculation of the explosive impact load is carried out. On the basis of the concrete manifestation of gas explosion, it is more convenient to carry out the subsequent calculation by equivalently treating the explosive impact load as a uniform load within a certain range. The overlying soil of the subway station has played a protective role for the subway, making the displacement of the subway structure in the explosion process significantly reduced. The analysis on the actual case shows that this method can be successfully applied to the quantitative analysis of such accidents.

Characterization of crystal forms of β-estradiol thermal analysis, Raman microscopy, X-ray analysis and solid-state NMR

NASA Astrophysics Data System (ADS)

Variankaval, N. E.; Jacob, K. I.; Dinh, S. M.

2000-08-01

The structure and select crystalline properties of a common drug (estradiol) used in a transdermal drug delivery system are investigated. Four different crystal forms of estradiol (EA, EC, ED and EM) were prepared in the laboratory and characterized by thermal analysis, optical microscopy, Raman microspectroscopy, and solid-state NMR. Variable temperature X-ray studies were carried out on form A (EA) to determine whether the crystal structure changed as a function of temperature. These four forms exhibited different thermal behavior. EA and EC had similar melting points. This study clearly shows that water cannot be released from the crystal lattice of EA unless melting is achieved, and exposing EA to temperatures below the melting point only results in a partial release of hydrogen bonded water. EC was prepared by melting EA and subsequently cooling it to room temperature. Form EC was anhydrous, as it did not exhibit water loss, as opposed to EA, which had about 3.5% water in its crystal structure. ED was very difficult to prepare and manifested itself only as a mixture with EC. Its melting point was about 10°C lower than that of EC. It is thought to be an unstable form due to its simultaneous occurrence with EC and the inability to isolate it. EM is a solvate of methanol, not a polymorph. Its melting point was similar to EA and EC. From thermogravimetry/differential thermal analysis and differential scanning calorimetry data, it was apparent that estradiol formed a hemisolvate with methanol. All four forms had different morphologies. Raman microscopy was carried out on the different crystal forms. The spectra of EC and ED were almost identical. Thermal analysis revealed that this is due to the highly unstable nature of ED and its tendency to either convert spontaneously to EC or occur in mixtures with it.

49 CFR 176.172 - Structural serviceability of freight containers and vehicles carrying Class 1 (explosive...

Code of Federal Regulations, 2011 CFR

2011-10-01

... serviceability of freight containers and vehicles carrying Class 1 (explosive) materials on ships. (a) Except for... 49 Transportation 2 2011-10-01 2011-10-01 false Structural serviceability of freight containers and vehicles carrying Class 1 (explosive) materials on ships. 176.172 Section 176.172 Transportation...

49 CFR 176.172 - Structural serviceability of freight containers and vehicles carrying Class 1 (explosive...

Code of Federal Regulations, 2013 CFR

2013-10-01

... serviceability of freight containers and vehicles carrying Class 1 (explosive) materials on ships. (a) Except for... 49 Transportation 2 2013-10-01 2013-10-01 false Structural serviceability of freight containers and vehicles carrying Class 1 (explosive) materials on ships. 176.172 Section 176.172 Transportation...

49 CFR 176.172 - Structural serviceability of freight containers and vehicles carrying Class 1 (explosive...

Code of Federal Regulations, 2014 CFR

2014-10-01

... serviceability of freight containers and vehicles carrying Class 1 (explosive) materials on ships. (a) Except for... 49 Transportation 2 2014-10-01 2014-10-01 false Structural serviceability of freight containers and vehicles carrying Class 1 (explosive) materials on ships. 176.172 Section 176.172 Transportation...

Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

NASA Astrophysics Data System (ADS)

Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

2013-01-01

In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

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.

Genetic structure in the Sherpa and neighboring Nepalese populations.

PubMed

Cole, Amy M; Cox, Sean; Jeong, Choongwon; Petousi, Nayia; Aryal, Dhana R; Droma, Yunden; Hanaoka, Masayuki; Ota, Masao; Kobayashi, Nobumitsu; Gasparini, Paolo; Montgomery, Hugh; Robbins, Peter; Di Rienzo, Anna; Cavalleri, Gianpiero L

2017-01-19

We set out to describe the fine-scale population structure across the Eastern region of Nepal. To date there is relatively little known about the genetic structure of the Sherpa residing in Nepal and their genetic relationship with the Nepalese. We assembled dense genotype data from a total of 1245 individuals representing Nepal and a variety of different populations resident across the greater Himalayan region including Tibet, China, India, Pakistan, Kazakhstan, Uzbekistan, Tajikistan and Kirghizstan. We performed analysis of principal components, admixture and homozygosity. We identified clear substructure across populations resident in the Himalayan arc, with genetic structure broadly mirroring geographical features of the region. Ethnic subgroups within Nepal show distinct genetic structure, on both admixture and principal component analysis. We detected differential proportions of ancestry from northern Himalayan populations across Nepalese subgroups, with the Nepalese Rai, Magar and Tamang carrying the greatest proportions of Tibetan ancestry. We show that populations dwelling on the Himalayan plateau have had a clear impact on the Northern Indian gene pool. We illustrate how the Sherpa are a remarkably isolated population, with little gene flow from surrounding Nepalese populations.

Effects on structural, optical, and magnetic properties of pure and Sr-substituted MgFe2O4 nanoparticles at different calcination temperatures

NASA Astrophysics Data System (ADS)

Loganathan, A.; Kumar, K.

2016-06-01

In the present work, pure and Sr2+ ions substituted Mg ferrite nanoparticles (NPs) had been prepared by co-precipitation method and their structural, optical, and magnetic properties at different calcination temperatures were studied. On this purpose, thermo gravimetric and differential thermal analysis (TG-DTA), Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), scanning electron microscopy, UV-Visible diffused reflectance spectroscopy, impedance spectroscopy, and vibrating sample magnetometer were carried out. The exo- and endothermic processes of synthesized precursors were investigated by TG-DTA measurements. The structural properties of the obtained products were examined by XRD analysis and show that the synthesized NPs are in the cubic spinel structure. The existence of two bands around 578-583 and 430-436 cm-1 in FT-IR spectrum also confirmed the formation of spinel-structured ferrite NPs. The lattice constants and particle size are estimated using XRD data and found to be strongly dependent on calcination temperatures. The optical, electrical, and magnetic properties of ferrite compositions also investigated and found to be strongly dependant on calcination temperatures.

Molecular structure, vibrational analysis (IR and Raman) and quantum chemical investigations of 1-aminoisoquinoline

NASA Astrophysics Data System (ADS)

Sivaprakash, S.; Prakash, S.; Mohan, S.; Jose, Sujin P.

2017-12-01

Quantum chemical calculations of energy and geometrical parameters of 1-aminoisoquinoline [1-AIQ] were carried out by using DFT/B3LYP method using 6-311G (d,p), 6-311G++(d,p) and cc-pVTZ basis sets. The vibrational wavenumbers were computed for the energetically most stable, optimized geometry. The vibrational assignments were performed on the basis of potential energy distribution (PED) using VEDA program. The NBO analysis was done to investigate the intra molecular charge transfer of the molecule. The frontier molecular orbital (FMO) analysis was carried out and the chemical reactivity descriptors of the molecule were studied. The Mulliken charge analysis, molecular electrostatic potential (MEP), HOMO-LUMO energy gap and the related properties were also investigated at B3LYP level. The absorption spectrum of the molecule was studied from UV-Visible analysis by using time-dependent density functional theory (TD-DFT). Fourier Transform Infrared spectrum (FT-IR) and Raman spectrum of 1-AIQ compound were analyzed and recorded in the range 4000-400 cm-1 and 3500-100 cm-1 respectively. The experimentally determined wavenumbers were compared with those calculated theoretically and they complement each other.

Design and Analysis of Complex D-Regions in Reinforced Concrete Structures

ERIC Educational Resources Information Center

Yindeesuk, Sukit

2009-01-01

STM design provisions, such as those in Appendix A of ACI318-08, consist of rules for evaluating the capacity of the load-resisting truss that is idealized to carry the forces through the D-Region. These code rules were primarily derived from test data on simple D-Regions such as deep beams and corbels. However, these STM provisions are taken as…

Non-destructive inspection of polymer composite products

NASA Astrophysics Data System (ADS)

Anoshkin, A. N.; Sal'nikov, A. F.; Osokin, V. M.; Tretyakov, A. A.; Luzin, G. S.; Potrakhov, N. N.; Bessonov, V. B.

2018-02-01

The paper considers the main types of defects encountered in products made of polymer composite materials for aviation use. The analysis of existing methods of nondestructive testing is carried out, features of their application are considered taking into account design features, geometrical parameters and internal structure of objects of inspection. The advantages and disadvantages of the considered methods of nondestructive testing used in industrial production are shown.

Design of an Optical OR Gate using Mach-Zehnder Interferometers

NASA Astrophysics Data System (ADS)

Choudhary, Kuldeep; Kumar, Santosh

2018-04-01

The optical switching phenomenon enhances the speed of optical communication systems. It is widely used in the wavelength division multiplexing (WDM). In this work, an optical OR gate is proposed using the Mach-Zehnder interferometer (MZI) structure. The detailed derivation of mathematical expression have been shown. The analysis is carried out by simulating the proposed device with MATLAB and Beam propagation method.

Tax-exempt bonds and sponsored research.

PubMed

Ballard, Frederic L

2003-01-01

"Sponsored research," wherein a business corporation or the government pays a portion of the cost of research activities carried out by a university or hospital, is increasingly important both for state institutions and for Section 510(c)(3) organizations. Sponsored research arrangements that are not properly structured can jeopardize the status of tax-exempt bonds issued to finance the facility at which the sponsored research occurs. While these rules have been difficult to apply in practice, properly structured agreements can provide funding for research without undue risk. This Article discusses the multiple pieces of guidance put forth by the Internal Revenue Service to clarify the many issues and tiers of analysis necessary to ensure a properly-structured sponsored research agreement.

Population structure in the Island of Ugljan--demographic processes and marital migration.

PubMed

Malnar, Ana

2008-12-01

This research on the basic demographic processes and marital migrations of the population on Ugljan Island in the period from 1857 to 2001 was conducted within the context of the long-term anthropological research of the population structure of Croatia's islands. The analysis was based on the study of the origin of 5 244 married couples from Preko, Kali, Kukljica, Lukoran and Ugljan and carried out using data preserved in the old Registers of Marriages. The results show a high level of endogamy and reproductive isolation of the population in all the villages and they also confirm the importance of using historical and demographic sources for researching the shaping of population structures.

Modal characteristics of a simplified brake rotor model using semi-analytical Rayleigh Ritz method

NASA Astrophysics Data System (ADS)

Zhang, F.; Cheng, L.; Yam, L. H.; Zhou, L. M.

2006-10-01

Emphasis of this paper is given to the modal characteristics of a brake rotor which is utilized in automotive disc brake system. The brake rotor is modeled as a combined structure comprising an annular plate connected to a segment of cylindrical shell by distributed artificial springs. Modal analysis shows the existence of three types of modes for the combined structure, depending on the involvement of each substructure. A decomposition technique is proposed, allowing each mode of the combined structure to be decomposed into a linear combination of the individual substructure modes. It is shown that the decomposition coefficients provide a direct and systematic means to carry out modal classification and quantification.

Static shape control for flexible structures

NASA Technical Reports Server (NTRS)

Rodriguez, G.; Scheid, R. E., Jr.

1986-01-01

An integrated methodology is described for defining static shape control laws for large flexible structures. The techniques include modeling, identifying and estimating the control laws of distributed systems characterized in terms of infinite dimensional state and parameter spaces. The models are expressed as interconnected elliptic partial differential equations governing a range of static loads, with the capability of analyzing electromagnetic fields around antenna systems. A second-order analysis is carried out for statistical errors, and model parameters are determined by maximizing an appropriate defined likelihood functional which adjusts the model to observational data. The parameter estimates are derived from the conditional mean of the observational data, resulting in a least squares superposition of shape functions obtained from the structural model.

Two dimensional numerical analysis of snow avalanche interaction with structures

NASA Astrophysics Data System (ADS)

Bovet, Eloïse; Chiaia, Bernardino; Preziosi, Luigi

2010-05-01

The purpose of this work, within the Project "DynAval - Dynamique des avalanches: départ et interactions écoulement/obstacles" - European Territorial Cooperation objective Italy - France (Alps), is to analyse the snow avalanche and structure interaction, through a numerical analysis. The avalanche behaviour, considered as an incompressible fluid, is described by a two-dimensional, in the avalanche slope, Navier-Stokes equations to which an advection equation is coupled to take into account the shape variation. The model allows to describe the velocity and the pressure at every point, representing important features for the structural design. The simulations are carried using a FEM Multiphysics software. For a such problem different analysis can be carried. Firstly, changing the obstacle shape (circle, square, triangle) and its dimension in relation to the avalanche size, the drag coefficient Cd can be evaluated. The obtained results are then compared with the values indicated by the procedures, concerning the avalanches, available in the literature. This study is realized for different Froude numbers too. Secondarily the pressure acting on the different parts of the obstacle (up-wind, down-wind, lateral) is studied. The first investigation concerns the evaluation of the Cp coefficient and on its comparison with the wind effects. The second analysis allows to evaluates, by an integration process, the total load exerted by the avalanche on the obstacle. A practical example of a building design is presented, taking into account the results of the simulations. Thirdly the study is focused on the characterization of the two dead zones created up-wind and down-wind the obstacle. The dependence of the dead zone on the obstacle characteristics, such as dimension and shape, and on the avalanche features, such as density and velocity, is analysed. The results obtained are compared with the data available in the literature concerning snow or granular material interaction with obstacle. In addition the dead zone is studied using a two dimensional model in the avalanche section too. In this way, in fact, the jet length created in the impact, for instance with a dam, can be measured and compared with the laws proposed in the literature. Fourthly the evolution in time of the pressure during the impact is investigated, showing a peak in the first times steps of the interaction. The time and the intensity of this maximum value is related with the flow and the obstacle characteristics. In conclusion, the fan of the analysis carried recovers different and very important features that represent the starting point for reliable design of the structures in avalanche-risk zones. In addition it shows the capabilities and the deficiencies of the model proposed and, finally, it introduces some aspects that will should be furtherer experimentally studied and validated.

Structural modeling and analysis of an effluent treatment process for electroplating--a graph theoretic approach.

PubMed

Kumar, Abhishek; Clement, Shibu; Agrawal, V P

2010-07-15

An attempt is made to address a few ecological and environment issues by developing different structural models for effluent treatment system for electroplating. The effluent treatment system is defined with the help of different subsystems contributing to waste minimization. Hierarchical tree and block diagram showing all possible interactions among subsystems are proposed. These non-mathematical diagrams are converted into mathematical models for design improvement, analysis, comparison, storage retrieval and commercially off-the-shelf purchases of different subsystems. This is achieved by developing graph theoretic model, matrix models and variable permanent function model. Analysis is carried out by permanent function, hierarchical tree and block diagram methods. Storage and retrieval is done using matrix models. The methodology is illustrated with the help of an example. Benefits to the electroplaters/end user are identified. 2010 Elsevier B.V. All rights reserved.

Efficient reliability analysis of structures with the rotational quasi-symmetric point- and the maximum entropy methods

NASA Astrophysics Data System (ADS)

Xu, Jun; Dang, Chao; Kong, Fan

2017-10-01

This paper presents a new method for efficient structural reliability analysis. In this method, a rotational quasi-symmetric point method (RQ-SPM) is proposed for evaluating the fractional moments of the performance function. Then, the derivation of the performance function's probability density function (PDF) is carried out based on the maximum entropy method in which constraints are specified in terms of fractional moments. In this regard, the probability of failure can be obtained by a simple integral over the performance function's PDF. Six examples, including a finite element-based reliability analysis and a dynamic system with strong nonlinearity, are used to illustrate the efficacy of the proposed method. All the computed results are compared with those by Monte Carlo simulation (MCS). It is found that the proposed method can provide very accurate results with low computational effort.

Vibrational, spectroscopic, molecular docking and density functional theory studies on N-(5-aminopyridin-2-yl)acetamide

NASA Astrophysics Data System (ADS)

Asath, R. Mohamed; Rekha, T. N.; Premkumar, S.; Mathavan, T.; Benial, A. Milton Franklin

2016-12-01

Conformational analysis was carried out for N-(5-aminopyridin-2-yl)acetamide (APA) molecule. The most stable, optimized structure was predicted by the density functional theory calculations using the B3LYP functional with cc-pVQZ basis set. The optimized structural parameters and vibrational frequencies were calculated. The experimental and theoretical vibrational frequencies were assigned and compared. Ultraviolet-visible spectrum was simulated and validated experimentally. The molecular electrostatic potential surface was simulated. Frontier molecular orbitals and related molecular properties were computed, which reveals that the higher molecular reactivity and stability of the APA molecule and further density of states spectrum was simulated. The natural bond orbital analysis was also performed to confirm the bioactivity of the APA molecule. Antidiabetic activity was studied based on the molecular docking analysis and the APA molecule was identified that it can act as a good inhibitor against diabetic nephropathy.

Experimental and finite element investigation of the buckling characteristics of a beaded skin panel for a hypersonic aircraft. Ph.D. Thesis. Final Report

NASA Technical Reports Server (NTRS)

Siegel, W. H.

1978-01-01

As part of NASA's continuing research into hypersonics and 85 square foot hypersonic wing test section of a proposed hypersonic research airplane was laboratory tested. The project reported on in this paper has carried the hypersonic wing test structure project one step further by testing a single beaded panel to failure. The primary interest was focused upon the buckling characteristics of the panel under pure compression with boundary conditions similar to those found in a wing mounted condition. Three primary phases of analysis are included in the report. These phases include: experimental testing of the beaded panel to failure; finite element structural analysis of the beaded panel with the computer program NASTRAN; a summary of the semiclassical buckling equations for the beaded panel under purely compressive loads. Comparisons between each of the analysis methods are also included.

Vibrational spectra and normal coordinate analysis of diazepam, phenytoin and phenobarbitone

NASA Astrophysics Data System (ADS)

Gunasekaran, S.; Thilak Kumar, R.; Ponnusamy, S.

2006-12-01

Vibrational spectroscopy is an important tool for the structural investigation of the organic molecules. In the present investigation, a normal coordinate analysis has been carried out on some anti-epileptic drugs, viz. diazepam, phenytoin and phenobarbitone. Diazepam is a derivative of benzodiazepine, phenytoin is a derivative of hydanation and pheonobarbitone is a barbiturate. The infrared spectra of the compounds are recorded in the region 4000-400 cm -1 and Raman spectra are recorded in the region 3500-50 cm -1. From the structural point of view, diazepam, phenytoin and phenobarbitone have been assumed to C s point group. A systematic set of symmetry coordinates has been constructed for these compounds and Wilson's FG matrix method has been applied for the normal coordinate analysis using general quadratic valance force field. The potential energy distribution is also calculated to check the vibrational band assignments.

Structural, evolutionary and genetic analysis of the histidine biosynthetic "core" in the genus Burkholderia.

PubMed

Papaleo, Maria Cristiana; Russo, Edda; Fondi, Marco; Emiliani, Giovanni; Frandi, Antonio; Brilli, Matteo; Pastorelli, Roberta; Fani, Renato

2009-12-01

In this work a detailed analysis of the structure, the expression and the organization of his genes belonging to the core of histidine biosynthesis (hisBHAF) in 40 newly determined and 13 available sequences of Burkholderia strains was carried out. Data obtained revealed a strong conservation of the structure and organization of these genes through the entire genus. The phylogenetic analysis showed the monophyletic origin of this gene cluster and indicated that it did not undergo horizontal gene transfer events. The analysis of the intergenic regions, based on the substitution rate, entropy plot and bendability suggested the existence of a putative transcription promoter upstream of hisB, that was supported by the genetic analysis that showed that this cluster was able to complement Escherichia colihisA, hisB, and hisF mutations. Moreover, a preliminary transcriptional analysis and the analysis of microarray data revealed that the expression of the his core was constitutive. These findings are in agreement with the fact that the entire Burkholderiahis operon is heterogeneous, in that it contains "alien" genes apparently not involved in histidine biosynthesis. Besides, they also support the idea that the proteobacterial his operon was piece-wisely assembled, i.e. through accretion of smaller units containing only some of the genes (eventually together with their own promoters) involved in this biosynthetic route. The correlation existing between the structure, organization and regulation of his "core" genes and the function(s) they perform in cellular metabolism is discussed.

A review of recent developments in parametric based acoustic emission techniques applied to concrete structures

NASA Astrophysics Data System (ADS)

Vidya Sagar, R.; Raghu Prasad, B. K.

2012-03-01

This article presents a review of recent developments in parametric based acoustic emission (AE) techniques applied to concrete structures. It recapitulates the significant milestones achieved by previous researchers including various methods and models developed in AE testing of concrete structures. The aim is to provide an overview of the specific features of parametric based AE techniques of concrete structures carried out over the years. Emphasis is given to traditional parameter-based AE techniques applied to concrete structures. A significant amount of research on AE techniques applied to concrete structures has already been published and considerable attention has been given to those publications. Some recent studies such as AE energy analysis and b-value analysis used to assess damage of concrete bridge beams have also been discussed. The formation of fracture process zone and the AE energy released during the fracture process in concrete beam specimens have been summarised. A large body of experimental data on AE characteristics of concrete has accumulated over the last three decades. This review of parametric based AE techniques applied to concrete structures may be helpful to the concerned researchers and engineers to better understand the failure mechanism of concrete and evolve more useful methods and approaches for diagnostic inspection of structural elements and failure prediction/prevention of concrete structures.

Computer modeling design of a frame pier for a high-speed railway project

NASA Astrophysics Data System (ADS)

Shi, Jing-xian; Fan, Jiang

2018-03-01

In this paper, a double line pier on a high-speed railway in China is taken as an example. the size of each location is drawn up firstly. The design of pre-stressed steel beam for its crossbeam is carried out, and the configuration of ordinary reinforcement is carried out for concrete piers. Combined with bridge structure analysis software Midas Civil and BSAS, the frame pier is modeled and calculated. The results show that the beam and pier column section size reasonable design of pre-stressed steel beam with 17-7V5 high strength low relaxation steel strand, can meet the requirements of high speed railway carrying capacity; the main reinforcement of pier shaft with HRB400 diameter is 28mm, ring arranged around the pier, can satisfy the eccentric compression strength, stiffness and stability requirements, also meet the requirements of seismic design.

[Coupled Analysis of Fluid-Structure Interaction of a Micro-Mechanical Valve for Glaucoma Drainage Devices].

PubMed

Siewert, S; Sämann, M; Schmidt, W; Stiehm, M; Falke, K; Grabow, N; Guthoff, R; Schmitz, K-P

2015-12-01

Glaucoma is the leading cause of irreversible blindness worldwide. In therapeutically refractory cases, alloplastic glaucoma drainage devices (GDD) are being increasingly used to decrease intraocular pressure. Current devices are mainly limited by fibrotic encapsulation and postoperative hypotension. Preliminary studies have described the development of a glaucoma microstent to control aqueous humour drainage from the anterior chamber into the suprachoroidal space. One focus of these studies was on the design of a micro-mechanical valve placed in the anterior chamber to inhibit postoperative hypotension. The present report describes the coupled analysis of fluid-structure interaction (FSI) as basis for future improvements in the design micro-mechanical valves. FSI analysis was carried out with ANSYS 14.5 software. Solid and fluid geometry were combined in a model, and the corresponding material properties of silicone (Silastic Rx-50) and water at room temperature were assigned. The meshing of the solid and fluid domains was carried out in accordance with the results of a convergence study with tetrahedron elements. Structural and fluid mechanical boundary conditions completed the model. The FSI analysis takes into account geometric non-linearity and adaptive remeshing to consider changing geometry. A valve opening pressure of 3.26 mmHg was derived from the FSI analysis and correlates well with the results of preliminary experimental fluid mechanical studies. Flow resistance was calculated from non-linear pressure-flow characteristics as 8.5 × 10(-3) mmHg/µl  · min(-1) and 2.7 × 10(-3) mmHg/µl  · min(-1), respectively before and after valve opening pressure is exceeded. FSI analysis indicated leakage flow before valve opening, which is due to the simplified model geometry. The presented bidirectional coupled FSI analysis is a powerful tool for the development of new designs of micro-mechanical valves for GDD and may help to minimise the time and cost expended on manufacturing and testing prototypes. Further optimisation of the FSI model is expected to ensure further convergence between the simulation and the results of experimental investigations. Georg Thieme Verlag KG Stuttgart · New York.

Improved dynamic analysis method using load-dependent Ritz vectors

NASA Technical Reports Server (NTRS)

Escobedo-Torres, J.; Ricles, J. M.

1993-01-01

The dynamic analysis of large space structures is important in order to predict their behavior under operating conditions. Computer models of large space structures are characterized by having a large number of degrees of freedom, and the computational effort required to carry out the analysis is very large. Conventional methods of solution utilize a subset of the eigenvectors of the system, but for systems with many degrees of freedom, the solution of the eigenproblem is in many cases the most costly phase of the analysis. For this reason, alternate solution methods need to be considered. It is important that the method chosen for the analysis be efficient and that accurate results be obtainable. It is important that the method chosen for the analysis be efficient and that accurate results be obtainable. The load dependent Ritz vector method is presented as an alternative to the classical normal mode methods for obtaining dynamic responses of large space structures. A simplified model of a space station is used to compare results. Results show that the load dependent Ritz vector method predicts the dynamic response better than the classical normal mode method. Even though this alternate method is very promising, further studies are necessary to fully understand its attributes and limitations.

Hekate: Software Suite for the Mass Spectrometric Analysis and Three-Dimensional Visualization of Cross-Linked Protein Samples

PubMed Central

2013-01-01

Chemical cross-linking of proteins combined with mass spectrometry provides an attractive and novel method for the analysis of native protein structures and protein complexes. Analysis of the data however is complex. Only a small number of cross-linked peptides are produced during sample preparation and must be identified against a background of more abundant native peptides. To facilitate the search and identification of cross-linked peptides, we have developed a novel software suite, named Hekate. Hekate is a suite of tools that address the challenges involved in analyzing protein cross-linking experiments when combined with mass spectrometry. The software is an integrated pipeline for the automation of the data analysis workflow and provides a novel scoring system based on principles of linear peptide analysis. In addition, it provides a tool for the visualization of identified cross-links using three-dimensional models, which is particularly useful when combining chemical cross-linking with other structural techniques. Hekate was validated by the comparative analysis of cytochrome c (bovine heart) against previously reported data.1 Further validation was carried out on known structural elements of DNA polymerase III, the catalytic α-subunit of the Escherichia coli DNA replisome along with new insight into the previously uncharacterized C-terminal domain of the protein. PMID:24010795

A new multicomponent salt of imidazole and tetrabromoterepthalic acid: structural, optical, thermal, electrical transport properties and antibacterial activity along with Hirshfeld surface analysis.

PubMed

Dey, Sanjoy Kumar; Saha, Rajat; Singha, Soumen; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Ray, Partha Pratim; Bandhyopadhyay, Debasis; Kumar, Sanjay

2015-06-05

Herein, we report the structural, optical, thermal and electrical transport properties of a new multicomponent salt (TBTA(2-))·2(IM(+))·(water) [TBTA-IM] of tetrabromoterepthalic acid (TBTA) with imidazole (IM). The crystal structure of TBTA-IM is determined by both the single crystal and powder X-ray diffraction techniques. The structural analysis has revealed that the supramolecular charge assisted O(-)⋯HN(+) hydrogen bonding and Br⋯π interactions play the most vital role in formation of this multicomponent supramolecular assembly. The Hirshfeld surface analysis has been carried out to investigate supramolecular interactions and associated 2D fingerprint plots reveal the relative contribution of these interactions in the crystal structure quantitatively. According to theoretical analysis the HOMO-LUMO energy gap of the salt is 2.92 eV. The salt has been characterized by IR, UV-vis and photoluminescence spectroscopic studies. It shows direct optical transition with band gaps of 4.1 eV, which indicates that the salt is insulating in nature. The photoluminescence spectrum of the salt is significantly different from that of TBTA. Further, a comparative study on the antibacterial activity of the salt with respect to imidazole, Gatifloxacin and Ciprofloxacin has been performed. Moreover, the current-voltage (I-V) characteristic of ITO/TBTA-IM/Al sandwich structure exhibits good rectifying property and the electron tunneling process governs the electrical transport mechanism of the device. Copyright © 2015 Elsevier B.V. All rights reserved.

Indistinguishability and identifiability of kinetic models for the MurC reaction in peptidoglycan biosynthesis.

PubMed

Hattersley, J G; Pérez-Velázquez, J; Chappell, M J; Bearup, D; Roper, D; Dowson, C; Bugg, T; Evans, N D

2011-11-01

An important question in Systems Biology is the design of experiments that enable discrimination between two (or more) competing chemical pathway models or biological mechanisms. In this paper analysis is performed between two different models describing the kinetic mechanism of a three-substrate three-product reaction, namely the MurC reaction in the cytoplasmic phase of peptidoglycan biosynthesis. One model involves ordered substrate binding and ordered release of the three products; the competing model also assumes ordered substrate binding, but with fast release of the three products. The two versions are shown to be distinguishable; however, if standard quasi-steady-state assumptions are made distinguishability cannot be determined. Once model structure uniqueness is ensured the experimenter must determine if it is possible to successfully recover rate constant values given the experiment observations, a process known as structural identifiability. Structural identifiability analysis is carried out for both models to determine which of the unknown reaction parameters can be determined uniquely, or otherwise, from the ideal system outputs. This structural analysis forms an integrated step towards the modelling of the full pathway of the cytoplasmic phase of peptidoglycan biosynthesis. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Molecular structure, Hirshfeld surface analysis, theoretical investigations and nonlinear optical properties of a novel crystalline chalcone derivative: (E)-1-(5-bromothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one

NASA Astrophysics Data System (ADS)

Pramodh, B.; Lokanath, N. K.; Naveen, S.; Naresh, P.; Ganguly, S.; Panda, J.

2018-06-01

In the present work, the crystal structure of a novel chalcone derivative, (E)-1-(5-bromothiophen-2-yl)-3-(p-tolyl) prop-2-en-1-one has been confirmed by X-ray diffraction studies. Hirshfeld surface analysis was carried out to explore the intermolecular interactions. From the Hirshfeld surface analysis it was observed that H⋯H (26.7%) and C⋯H (26.3%) are the major contributors to the intermolecular interactions which stabilizes the crystal structure. The coordinates were optimized using the density functional theory (DFT) calculations using B3LYP hybrid functions with 6-31G(d) basis set. The structural parameters obtained from XRD studies compliment with those calculated using DFT calculations. The HOMO and LUMO energy gap was found to be 4.1778 eV. The molecular electrostatic potential (MEP) was plotted to identify the possible reactions sites of the molecule. Further, non-linear optical (NLO) properties were investigated by calculating hyperpolarizabilities which indicate that the title compound would be a potential candidate for the NLO applications.

From Laser Scanning to Finite Element Analysis of Complex Buildings by Using a Semi-Automatic Procedure

PubMed Central

Castellazzi, Giovanni; D’Altri, Antonio Maria; Bitelli, Gabriele; Selvaggi, Ilenia; Lambertini, Alessandro

2015-01-01

In this paper, a new semi-automatic procedure to transform three-dimensional point clouds of complex objects to three-dimensional finite element models is presented and validated. The procedure conceives of the point cloud as a stacking of point sections. The complexity of the clouds is arbitrary, since the procedure is designed for terrestrial laser scanner surveys applied to buildings with irregular geometry, such as historical buildings. The procedure aims at solving the problems connected to the generation of finite element models of these complex structures by constructing a fine discretized geometry with a reduced amount of time and ready to be used with structural analysis. If the starting clouds represent the inner and outer surfaces of the structure, the resulting finite element model will accurately capture the whole three-dimensional structure, producing a complex solid made by voxel elements. A comparison analysis with a CAD-based model is carried out on a historical building damaged by a seismic event. The results indicate that the proposed procedure is effective and obtains comparable models in a shorter time, with an increased level of automation. PMID:26225978

Matrix Isolation Spectroscopy and Photochemistry of Triplet 1,3-DIMETHYLPROPYNYLIDENE (MeC3Me)

NASA Astrophysics Data System (ADS)

Knezz, Stephanie N.; Waltz, Terese A.; Haenni, Benjamin C.; Burrmann, Nicola J.; McMahon, Robert J.

2015-06-01

Acetylenic carbenes and conjugated carbon chain molecules of the HCnH family are relevant to the study of combustion and chemistry in the interstellar medium (ISM). Propynylidene (HC3H) has been thoroughly studied and its structure and photochemistry determined. Here, we produce triplet diradical 1,3-dimethylpropynylidene (MeC3Me) photochemically from a precursor diazo compound in a cryogenic matrix (N2 or Ar) at 10 K, and spectroscopic analysis is carried out. The infrared, electronic absorption, and electron paramagnetic resonance spectra were examined in light of the parent (HC3H) system to ascertain the effect of alkyl substituents on delocalized carbon chains of this type. Computational analysis, EPR, and infrared analysis indicate a triplet ground state with a quasilinear structure. Infrared experiments reveal photochemical reaction to penten-3-yne upon UV irradiation. Further experimental and computational results pertaining to the structure and photochemistry will be presented. Seburg, R. A.; Patterson, E. V.; McMahon, R. J., Structure of Triplet Propynylidene (HCCCH) as Probed by IR, UV/vis, and EPR Spectroscopy of Isotopomers. Journal of the American Chemical Society 2009, 131 (26), 9442-9455.

[Studies on chemical constituents from leaves and stems of Aconitum coreanum].

PubMed

Li, Yan; Liang, Shuai

2009-05-01

To study the chemical constituents in the leaves and stems of Aconitum coreanum. The isolation and purification of chemical constituents were carried out on silica gel and polyamide column chromatographic. Their structures were identified by physico-chemical properties and spectral analysis. Five compounds were obtained and their structures were identified as guan-fu base I (1), guan-fu base R (2), beta-sitosterol (3), D-mannitol (4), daucosterol (5). Compound 2 is a new compound. Compounds 1 and 3, 4 are isolated from the leaves and stems of A. coreanum for the first time.

A Microstructural Analysis of Orientation Variation in Epitaxial AlN on Si, Its Probable Origin, and Effect on Subsequent GaN Growth

NASA Technical Reports Server (NTRS)

Beye, R.; George, T.; Yang, J. W.; Khan, M. A.

1996-01-01

A structural examination of aluminum nitride growth on [111] silicon was carried out using transmission electron microscopy. Electron diffraction indicates that the basal planes of the wurtzitic overlayer mimic the orientation of the close-packed planes of the substrate. However, considerable, random rotation in the basal plane and random out-of-plane tilts were evident. This article examines these issues with a structural examination of AlN and GaN/AlN on silicon and compares the findings to those reported in the literature.

An Investigation of the Fine Spatial Structure of Meteor Streams Using the Relational Database ``Meteor''

NASA Astrophysics Data System (ADS)

Karpov, A. V.; Yumagulov, E. Z.

2003-05-01

We have restored and ordered the archive of meteor observations carried out with a meteor radar complex ``KGU-M5'' since 1986. A relational database has been formed under the control of the Database Management System (DBMS) Oracle 8. We also improved and tested a statistical method for studying the fine spatial structure of meteor streams with allowance for the specific features of application of the DBMS. Statistical analysis of the results of observations made it possible to obtain information about the substance distribution in the Quadrantid, Geminid, and Perseid meteor streams.

Calculation of Prestressed Pressure Vessel Taking into Account the Concrete Temperature Inhomogeneity

NASA Astrophysics Data System (ADS)

Andreev, Vladimir

2018-03-01

The paper deals with the problem of determining the stress state of the pressure vessel (PV) with considering the concrete temperature inhomogeneity. Such structures are widely used in heat power engineering, for example, in nuclear power engineering. The structures of such buildings are quite complex and a comprehensive analysis of the stress state in them can be carried out either by numerical or experimental methods. However, a number of fundamental questions can be solved on the basis of simplified models, in particular, studies of the effect on the stressed state of the inhomogeneity caused by the temperature field.

Finite Element Stress Analysis of Spent Nuclear Fuel Disposal Canister in a Deep Geological Repository

NASA Astrophysics Data System (ADS)

Kwon, Young Joo; Choi, Jong Won

This paper presents the finite element stress analysis of a spent nuclear fuel disposal canister to provide basic information for dimensioning the canister and configuration of canister components and consequently to suggest the structural analysis methodology for the disposal canister in a deep geological repository which is nowadays very important in the environmental waste treatment technology. Because of big differences in the pressurized water reactor (PWR) and the Canadian deuterium and uranium reactor (CANDU) fuel properties, two types of canisters are conceived. For manufacturing, operational reasons and standardization, however, both canisters have the same outer diameter and length. The construction type of canisters introduced here is a solid structure with a cast insert and a corrosion resistant overpack. The structural stress analysis is carried out using a finite element analysis code, NISA, and focused on the structural strength of the canister against the expected external pressures due to the swelling of the bentonite buffer and the hydrostatic head. The canister must withstand these large pressure loads. Consequently, canisters presented here contain 4 PWR fuel assemblies and 33×9 CANDU fuel bundles. The outside diameter of the canister for both fuels is 122cm and the cast insert diameter is 112cm. The total length of the canister is 483cm with the lid/bottom and the outer shell of 5cm.

Determination of equilibrium structures of bromothymol blue revealed by using quantum chemistry with an aid of multivariate analysis of electronic absorption spectra

NASA Astrophysics Data System (ADS)

Shimada, Toru; Hasegawa, Takeshi

2017-10-01

The pH dependent chemical structures of bromothymol blue (BTB), which have long been under controversy, are determined by employing a combined technique of multivariate analysis of electronic absorption spectra and quantum chemistry. Principle component analysis (PCA) of the pH dependent spectra apparently reveals that only two chemical species are adequate to fully account for the color changes, with which the spectral decomposition is readily performed by using augmented alternative least-squares (ALS) regression analysis. The quantity variation by the ALS analysis also reveals the practical acid dissociation constant, pKa‧. The determination of pKa‧ is performed for various ionic strengths, which reveals the thermodynamic acid constant (pKa = 7.5) and the number of charge on each chemical species; the yellow form is negatively charged species of - 1 and the blue form that of - 2. On this chemical information, the quantum chemical calculation is carried out to find that BTB molecules take the pure quinoid form in an acid solution and the quinoid-phenolate form in an alkaline solution. The time-dependent density functional theory (TD-DFT) calculations for the theoretically determined chemical structures account for the peak shift of the electronic spectra. In this manner, the structures of all the chemical species appeared in equilibrium have finally been confirmed.

Determination of equilibrium structures of bromothymol blue revealed by using quantum chemistry with an aid of multivariate analysis of electronic absorption spectra.

PubMed

Shimada, Toru; Hasegawa, Takeshi

2017-10-05

The pH dependent chemical structures of bromothymol blue (BTB), which have long been under controversy, are determined by employing a combined technique of multivariate analysis of electronic absorption spectra and quantum chemistry. Principle component analysis (PCA) of the pH dependent spectra apparently reveals that only two chemical species are adequate to fully account for the color changes, with which the spectral decomposition is readily performed by using augmented alternative least-squares (ALS) regression analysis. The quantity variation by the ALS analysis also reveals the practical acid dissociation constant, pK a '. The determination of pK a ' is performed for various ionic strengths, which reveals the thermodynamic acid constant (pK a =7.5) and the number of charge on each chemical species; the yellow form is negatively charged species of -1 and the blue form that of -2. On this chemical information, the quantum chemical calculation is carried out to find that BTB molecules take the pure quinoid form in an acid solution and the quinoid-phenolate form in an alkaline solution. The time-dependent density functional theory (TD-DFT) calculations for the theoretically determined chemical structures account for the peak shift of the electronic spectra. In this manner, the structures of all the chemical species appeared in equilibrium have finally been confirmed. Copyright © 2017 Elsevier B.V. All rights reserved.

Correlations of nucleotide substitution rates and base composition of mammalian coding sequences with protein structure.

PubMed

Chiusano, M L; D'Onofrio, G; Alvarez-Valin, F; Jabbari, K; Colonna, G; Bernardi, G

1999-09-30

We investigated the relationships between the nucleotide substitution rates and the predicted secondary structures in the three states representation (alpha-helix, beta-sheet, and coil). The analysis was carried out on 34 alignments, each of which comprised sequences belonging to at least four different mammalian orders. The rates of synonymous substitution were found to be significantly different in regions predicted to be alpha-helix, beta-sheet, or coil. Likewise, the nonsynonymous rates also differ, although expectedly at a lower extent, in the three types of secondary structure, suggesting that different selective constraints associated with the different structures are affecting in a similar way the synonymous and nonsynonymous rates. Moreover, the base composition of the third codon positions is different in coding sequence regions corresponding to different secondary structures of proteins.

8. Inverted siphon structure carrying ditch flow under Willow Creek, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

8. Inverted siphon structure carrying ditch flow under Willow Creek, looking southwest - Natomas Ditch System, Blue Ravine Segment, Juncture of Blue Ravine & Green Valley Roads, Folsom, Sacramento County, CA

7. Inverted siphon structure carrying ditch flow under Willow Creek, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

7. Inverted siphon structure carrying ditch flow under Willow Creek, looking east - Natomas Ditch System, Blue Ravine Segment, Juncture of Blue Ravine & Green Valley Roads, Folsom, Sacramento County, CA

Spectroscopic and molecular docking studies on N,N-di-tert-butoxycarbonyl (Boc)-2-amino pyridine: A potential bioactive agent for lung cancer treatment

NASA Astrophysics Data System (ADS)

Mohamed Asath, R.; Premkumar, R.; Mathavan, T.; Milton Franklin Benial, A.

2017-09-01

Potential energy surface scan was performed and the most stable molecular structure of the N,N-di-tert-butoxycarbonyl (Boc)-2-amino pyridine (DBAP) molecule was predicted. The most stable molecular structure of the molecule was optimized using B3LYP method with cc-pVTZ basis set. Anticancer activity of the DBAP molecule was evaluated by molecular docking analysis. The structural parameters and vibrational wavenumbers were calculated for the optimized molecular structure. The experimental and theoretical wavenumbers were assigned and compared. Ultraviolet-Visible spectrum was simulated and validated experimentally. The molecular electrostatic potential surface was simulated and Fukui function calculations were also carried out to investigate the reactive nature of the DBAP molecule. The natural bond orbital analysis was also performed to probe the intramolecular interactions and confirm the bioactivity of the DBAP molecule. The molecular docking analysis reveals the better inhibitory nature of the DBAP molecule against the epidermal growth factor receptor (EGFR) protein which causes lung cancer. Hence, the present study unveils the structural and bioactive nature of the title molecule. The DBAP molecule was identified as a potential inhibitor against the lung cancer which may be useful in further development of drug designing in the treatment of lung cancer.

29 CFR 1926.751 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... process of erection. Steel joist means an open web, secondary load-carrying member of 144 feet (43.9 m) or... structural steel trusses or cold-formed joists. Steel joist girder means an open web, primary load-carrying... structural steel trusses. Steel truss means an open web member designed of structural steel components by the...

29 CFR 1926.751 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... process of erection. Steel joist means an open web, secondary load-carrying member of 144 feet (43.9 m) or... structural steel trusses or cold-formed joists. Steel joist girder means an open web, primary load-carrying... structural steel trusses. Steel truss means an open web member designed of structural steel components by the...

Functional and structural abnormalities associated with empathy in patients with schizophrenia: An fMRI and VBM study

PubMed Central

Singh, Sadhana; Modi, Shilpi; Goyal, Satnam; Kaur, Prabhjot; Singh, Namita; Bhatia, Triptish; Deshpande, Smita N; Khushu, Subash

2016-01-01

Empathy deficit is a core feature of schizophrenia which may lead to social dysfunction. The present study was carried out to investigate functional and structural abnormalities associated with empathy in patients with schizophrenia using functional magnetic resonance imaging (fMRI) and voxel-based morphometry (VBM). A sample of 14 schizophrenia patients and 14 healthy control subjects matched for age, sex and education were examined with structural high-resolution T1-weighted MRI; fMRI images were obtained during empathy task in the same session. The analysis was carried out using SPM8 software. On behavioural assessment, schizophrenic patients (83.00±29.04) showed less scores for sadness compared to healthy controls (128.70±22.26) (p<0.001). fMRI results also showed reduced clusters of activation in the bilateral fusiform gyrus, left lingual gyrus, left middle and inferior occipital gyrus in schizophrenic subjects as compared to controls during empathy task. In the same brain areas, VBM results also showed reduced grey and white matter volumes. The present study provides an evidence for an association between structural alterations and disturbed functional brain activation during empathy task in persons affected with schizophrenia. These findings suggest a biological basis for social cognition deficits in schizophrenics. PMID:25963262

Functional and structural abnormalities associated with empathy in patients with schizophrenia: An fMRI and VBM study.

PubMed

Singh, Sadhana; Modi, Shilpi; Goyal, Satnam; Kaur, Prabhjot; Singh, Namita; Bhatia, Triptish; Deshpande, Smita N; Khushu, Subash

2015-06-01

Empathy deficit is a core feature of schizophrenia which may lead to social dysfunction. The present study was carried out to investigate functional and structural abnormalities associated with empathy in patients with schizophrenia using functional magnetic resonance imaging (fMRI) and voxel-based morphometry (VBM). A sample of 14 schizophrenia patients and 14 healthy control subjects matched for age, sex and education were examined with structural highresolution T1-weighted MRI; fMRI images were obtained during empathy task in the same session. The analysis was carried out using SPM8 software. On behavioural assessment, schizophrenic patients (83.00+-29.04) showed less scores for sadness compared to healthy controls (128.70+-22.26) (p less than 0.001). fMRI results also showed reduced clusters of activation in the bilateral fusiform gyrus, left lingual gyrus, left middle and inferior occipital gyrus in schizophrenic subjects as compared to controls during empathy task. In the same brain areas, VBM results also showed reduced grey and white matter volumes. The present study provides an evidence for an association between structural alterations and disturbed functional brain activation during empathy task in persons affected with schizophrenia. These findings suggest a biological basis for social cognition deficits in schizophrenics.

Development of Metal Plate with Internal Structure Utilizing the Metal Injection Molding (MIM) Process.

PubMed

Shin, Kwangho; Heo, Youngmoo; Park, Hyungpil; Chang, Sungho; Rhee, Byungohk

2013-12-12

In this study, we focus on making a double-sided metal plate with an internal structure, such as honeycomb. The stainless steel powder was used in the metal injection molding (MIM) process. The preliminary studies were carried out for the measurement of the viscosity of the stainless steel feedstock and for the prediction of the filling behavior through Computer Aided Engineering (CAE) simulation. PE (high density polyethylene (HDPE) and low density polyethylene (LDPE)) and polypropylene (PP) resins were used to make the sacrificed insert with a honeycomb structure using a plastic injection molding process. Additionally, these sacrificed insert parts were inserted in the metal injection mold, and the metal injection molding process was carried out to build a green part with rectangular shape. Subsequently, debinding and sintering processes were adopted to remove the sacrificed polymer insert. The insert had a suitable rigidity that was able to endure the filling pressure. The core shift analysis was conducted to predict the deformation of the insert part. The 17-4PH feedstock with a low melting temperature was applied. The glass transition temperature of the sacrificed polymer insert would be of a high grade, and this insert should be maintained during the MIM process. Through these processes, a square metal plate with a honeycomb structure was made.

Development of Metal Plate with Internal Structure Utilizing the Metal Injection Molding (MIM) Process

PubMed Central

Shin, Kwangho; Heo, Youngmoo; Park, Hyungpil; Chang, Sungho; Rhee, Byungohk

2013-01-01

In this study, we focus on making a double-sided metal plate with an internal structure, such as honeycomb. The stainless steel powder was used in the metal injection molding (MIM) process. The preliminary studies were carried out for the measurement of the viscosity of the stainless steel feedstock and for the prediction of the filling behavior through Computer Aided Engineering (CAE) simulation. PE (high density polyethylene (HDPE) and low density polyethylene (LDPE)) and polypropylene (PP) resins were used to make the sacrificed insert with a honeycomb structure using a plastic injection molding process. Additionally, these sacrificed insert parts were inserted in the metal injection mold, and the metal injection molding process was carried out to build a green part with rectangular shape. Subsequently, debinding and sintering processes were adopted to remove the sacrificed polymer insert. The insert had a suitable rigidity that was able to endure the filling pressure. The core shift analysis was conducted to predict the deformation of the insert part. The 17-4PH feedstock with a low melting temperature was applied. The glass transition temperature of the sacrificed polymer insert would be of a high grade, and this insert should be maintained during the MIM process. Through these processes, a square metal plate with a honeycomb structure was made. PMID:28788427

Synthesis, structural analysis, Hirshfeld surface, spectroscopic characterization and, in vitro, antioxidant activity of a novel organic cyclohexaphosphate

NASA Astrophysics Data System (ADS)

Fezai, Ramzi; Mezni, Ali; Rzaigui, Mohamed

2018-02-01

The new hybrid [4-Cl-2-(CH3)C6H3NH3]6P6O18·2H2O was synthesized under normal conditions of temperature and pressure. Single crystal X-ray diffraction study was used to identify its structure. It revealed that this organic cyclohexaphosphate crystallized in the P 1 bar triclinic space group with a = 10.41 (10) Å b = 10.94 (7) Å, c = 15.45 (10) Å, α = 77.37 (8), β = 89.75 (8)°, γ = 61.69 (7)°, V = 1501 (2) Å3 and Z = 1. In the crystal framework, the assembling of the three dimensional (3D) structure is formed by intermolecular hydrogen bonds and Van Der Waals interactions. A spectroscopic characterization was carried out to elucidate the structure (UV-Vis, FTIR, 31P MAS-NMR and fluorescent properties). The thermal stability was studied by TG-DTA diagrams under argon atmosphere. Furthermore, 3-D Hirshfeld surfaces in combination with 2-D fingerprint plots were carried out. This compound was also evaluated for its antioxidant activity; four tests were done, in vitro, 1,1-diphenyl-2-picrylhydrazyl (DPPH•), hydroxyl scavenging ability (OH•), ferric reducing power (FRP) and ferrous ion chelating (FIC) ability, using ascorbic acid as a control.

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.

Moisture Content Numerical Simulation on Structural Damage of Hot Mix Asphaltic Pavement

NASA Astrophysics Data System (ADS)

Abejide, O. S.; Mostafa, M. M. H.

2017-06-01

Considering the merits of road transportation in the economy and communication activities of the modern societies, it is imperative to design a safe, stable, efficient and cost effective road that will lead to increased economic development and growth of the South African nation. Although, the overarching effect of failed roads has in many ways led to increased travel time, loss of life and property; leading to reduced driver control on failed road sections (riding quality). Thus, time rate delamination of flexible pavement is a major focus of this study. Since structural collapse in a flexible pavement structure is caused by the evolution of different types of damage mechanisms; fatigue cracking, advanced crushing, temperature variation, and delamination. The effect of moisture content on HMA was analysed. The analysis from the multi-layered elastic model indicates that increase in moisture content in the underlying layer of HMA pavement results to increase in the strain of the individual layers and culminates to a decrease in the structural carrying capacity of the pavement with respect to number of load cycles that can be carried on the HMA pavement. This study shows a clear relationship between the moisture/saturation coefficient and the Elastic Modulus of the underlying geometric material layer properties of the pavement during the service life of the pavement.

MTF measurement and analysis of linear array HgCdTe infrared detectors

NASA Astrophysics Data System (ADS)

Zhang, Tong; Lin, Chun; Chen, Honglei; Sun, Changhong; Lin, Jiamu; Wang, Xi

2018-01-01

The slanted-edge technique is the main method for measurement detectors MTF, however this method is commonly used on planar array detectors. In this paper the authors present a modified slanted-edge method to measure the MTF of linear array HgCdTe detectors. Crosstalk is one of the major factors that degrade the MTF value of such an infrared detector. This paper presents an ion implantation guard-ring structure which was designed to effectively absorb photo-carriers that may laterally defuse between adjacent pixels thereby suppressing crosstalk. Measurement and analysis of the MTF of the linear array detectors with and without a guard-ring were carried out. The experimental results indicated that the ion implantation guard-ring structure effectively suppresses crosstalk and increases MTF value.

Structural analysis of the industrial grade calcite

NASA Astrophysics Data System (ADS)

Shah, Rajiv P.; Raval, Kamlesh G.

2017-05-01

The chemical, optical and structural characterization of the industrial grade Calcite by EDAX, FT-IR and XRD. EDAX is a widely used technique to analyze the chemical components in a material, FT-IR stands for Fourier Transform Infra-Red, the preferred method of infrared spectroscopy. The resultant spectrum represents the molecular absorption and transmission, creating a molecular fingerprint of the sample, The atomic planes of a crystal cause an incident beam of X-rays to interfere with one another as they leave the crystal. The phenomenon is called X ray diffraction.(XRD). Data analysis of EDAX, FT-IR and XRD has been carried out with help of various instruments and software and find out the results of the these industrial grade materials which are mostly used in ceramics industries

Analysis on spectra of hydroacoustic field in sonar cavity of the sandwich elastic wall structure

NASA Astrophysics Data System (ADS)

Xuetao, W.; Rui, H.; Weike, W.

2017-09-01

In this paper, the characteristics of the mechanical self - noise in sonar array cavity are studied by using the elastic flatbed - filled rectangular cavity parameterization model. Firstly, the analytic derivation of the vibration differential equation of the single layer, sandwich elastic wall plate structure and internal fluid coupling is carried out, and the modal method is used to solve it. Finally, the spectral characteristics of the acoustic field of rectangular cavity of different elastic wallboard materials are simulated and analyzed, which provides a theoretical reference for the prediction and control of sonar mechanical self-noise. In this paper, the sandwich board as control inside the dome background noise of a potential means were discussed, the dome background noise of qualitative prediction analysis and control has important theoretical significance.

Factor analysis of Wechsler Adult Intelligence Scale-Revised in developmentally disabled persons.

PubMed

Di Nuovo, Santo F; Buono, Serafino

2006-12-01

The results of previous studies on the factorial structure of Wechsler Intelligence Scales are somewhat inconsistent across normal and pathological samples. To study specific clinical groups, such as developmentally disabled persons, it is useful to examine the factor structure in appropriate samples. A factor analysis was carried out using the principal component method and the Varimax orthogonal rotation on the Wechsler Adult Intelligence Scale (WAIS-R) in a sample of 203 developmentally disabled persons, with a mean age of 25 years 4 months. Developmental disability ranged from mild to moderate. Partially contrasting with previous studies on normal samples, results found a two-factor solution. Wechsler's traditional Verbal and Performance scales seems to be more appropriate for this sample than the alternative three-factor solution.

Analysis of phytoplankton distribution and community structure in the German Bight with respect to the different size classes

NASA Astrophysics Data System (ADS)

Wollschläger, Jochen; Wiltshire, Karen Helen; Petersen, Wilhelm; Metfies, Katja

2015-05-01

Investigation of phytoplankton biodiversity, ecology, and biogeography is crucial for understanding marine ecosystems. Research is often carried out on the basis of microscopic observations, but due to the limitations of this approach regarding detection and identification of picophytoplankton (0.2-2 μm) and nanophytoplankton (2-20 μm), these investigations are mainly focused on the microphytoplankton (20-200 μm). In the last decades, various methods based on optical and molecular biological approaches have evolved which enable a more rapid and convenient analysis of phytoplankton samples and a more detailed assessment of small phytoplankton. In this study, a selection of these methods (in situ fluorescence, flow cytometry, genetic fingerprinting, and DNA microarray) was placed in complement to light microscopy and HPLC-based pigment analysis to investigate both biomass distribution and community structure of phytoplankton. As far as possible, the size classes were analyzed separately. Investigations were carried out on six cruises in the German Bight in 2010 and 2011 to analyze both spatial and seasonal variability. Microphytoplankton was identified as the major contributor to biomass in all seasons, followed by the nanophytoplankton. Generally, biomass distribution was patchy, but the overall contribution of small phytoplankton was higher in offshore areas and also in areas exhibiting higher turbidity. Regarding temporal development of the community, differences between the small phytoplankton community and the microphytoplankton were found. The latter exhibited a seasonal pattern regarding number of taxa present, alpha- and beta-diversity, and community structure, while for the nano- and especially the picophytoplankton, a general shift in the community between both years was observable without seasonality. Although the reason for this shift remains unclear, the results imply a different response of large and small phytoplankton to environmental influences.

Abuse of guaifenesin-containing medications generates an excess of a carboxylate salt of beta-(2-methoxyphenoxy)-lactic acid, a guaifenesin metabolite, and results in urolithiasis.

PubMed

Pickens, C L; Milliron, A R; Fussner, A L; Dversdall, B C; Langenstroer, P; Ferguson, S; Fu, X; Schmitz, F J; Poole, E C

1999-07-01

Several urinary calculi were submitted to our institution for compositional analysis. The typical techniques of analysis, polarized light microscopy, electron microprobe analysis, and infrared spectroscopy proved inadequate for a definitive identification. As a result, a more detailed organic analysis was conducted to determine the exact chemical structure of the material. Infrared spectroscopy and mass spectrometric analysis were carried out on the solid material, providing information concerning the functional groups and the molecular mass of the organic constituent and its components. The stone was solubilized in deuterated solvents and analyzed by nuclear magnetic resonance spectroscopy, which resulted in a definitive chemical structure. The spectroscopic analysis indicated that the stones were composed of a calcium salt of beta-(2-methoxyphenoxy)-lactic acid, a metabolite of the pharmaceutical guaifenesin, which is used as an expectorant. Guaifenesin, an expectorant common in over-the-counter cold and allergy remedies, can cause urolithiasis if taken in excess. Discussions with physicians and their patients confirmed that most patients admitted to taking large doses of guaifenesin-containing medications.

Ruby-Helix: an implementation of helical image processing based on object-oriented scripting language.

PubMed

Metlagel, Zoltan; Kikkawa, Yayoi S; Kikkawa, Masahide

2007-01-01

Helical image analysis in combination with electron microscopy has been used to study three-dimensional structures of various biological filaments or tubes, such as microtubules, actin filaments, and bacterial flagella. A number of packages have been developed to carry out helical image analysis. Some biological specimens, however, have a symmetry break (seam) in their three-dimensional structure, even though their subunits are mostly arranged in a helical manner. We refer to these objects as "asymmetric helices". All the existing packages are designed for helically symmetric specimens, and do not allow analysis of asymmetric helical objects, such as microtubules with seams. Here, we describe Ruby-Helix, a new set of programs for the analysis of "helical" objects with or without a seam. Ruby-Helix is built on top of the Ruby programming language and is the first implementation of asymmetric helical reconstruction for practical image analysis. It also allows easier and semi-automated analysis, performing iterative unbending and accurate determination of the repeat length. As a result, Ruby-Helix enables us to analyze motor-microtubule complexes with higher throughput to higher resolution.

Strain Modal Analysis of Small and Light Pipes Using Distributed Fibre Bragg Grating Sensors

PubMed Central

Huang, Jun; Zhou, Zude; Zhang, Lin; Chen, Juntao; Ji, Chunqian; Pham, Duc Truong

2016-01-01

Vibration fatigue failure is a critical problem of hydraulic pipes under severe working conditions. Strain modal testing of small and light pipes is a good option for dynamic characteristic evaluation, structural health monitoring and damage identification. Unique features such as small size, light weight, and high multiplexing capability enable Fibre Bragg Grating (FBG) sensors to measure structural dynamic responses where sensor size and placement are critical. In this paper, experimental strain modal analysis of pipes using distributed FBG sensors ispresented. Strain modal analysis and parameter identification methods are introduced. Experimental strain modal testing and finite element analysis for a cantilever pipe have been carried out. The analysis results indicate that the natural frequencies and strain mode shapes of the tested pipe acquired by FBG sensors are in good agreement with the results obtained by a reference accelerometer and simulation outputs. The strain modal parameters of a hydraulic pipe were obtained by the proposed strain modal testing method. FBG sensors have been shown to be useful in the experimental strain modal analysis of small and light pipes in mechanical, aeronautic and aerospace applications. PMID:27681728

Seismic soil structure interaction analysis for asymmetrical buildings supported on piled raft for the 2015 Nepal earthquake

NASA Astrophysics Data System (ADS)

Badry, Pallavi; Satyam, Neelima

2017-01-01

Seismic damage surveys and analyses conducted on modes of failure of structures during past earthquakes observed that the asymmetrical buildings show the most vulnerable effect throughout the course of failures (Wegner et al., 2009). Thus, all asymmetrical buildings significantly fails during the shaking events and it is really needed to focus on the accurate analysis of the building, including all possible accuracy in the analysis. Apart from superstructure geometry, the soil behavior during earthquake shaking plays a pivotal role in the building collapse (Chopra, 2012). Fixed base analysis where the soil is considered to be infinitely rigid cannot simulate the actual scenario of wave propagation during earthquakes and wave transfer mechanism in the superstructure (Wolf, 1985). This can be well explained in the soil structure interaction analysis, where the ground movement and structural movement can be considered with the equal rigor. In the present study the object oriented program has been developed in C++ to model the SSI system using the finite element methodology. In this attempt the seismic soil structure interaction analysis has been carried out for T, L and C types piled raft supported buildings in the recent 25th April 2015 Nepal earthquake (M = 7.8). The soil properties have been considered with the appropriate soil data from the Katmandu valley region. The effect of asymmetry of the building on the responses of the superstructure is compared with the author's research work. It has been studied/observed that the shape or geometry of the superstructure governs the response of the superstructure subjected to the same earthquake load.

Synthesis, structural and vibrational studies on mixed alkali metal gadolinium double tungstate, K1-xNaxGd(WO4)2

NASA Astrophysics Data System (ADS)

Durairajan, A.; Thangaraju, D.; Moorthy Babu, S.

2013-02-01

Mixed alkali double tungstates K1-xNaxGd(WO4)2 (KNGW) (0 ⩽ x ⩽ 1) were synthesized by solid state reaction using sodium doped monoclinic KGd(WO4)2 (KGW). Synthesized KNGW powders were characterized using powder X-ray diffraction (XRD), differential thermal analysis (DTA), scanning electron microscopy (SEM) and Raman analysis. DTA analysis confirms that the melting point of the KGW matrix increases from 1063 °C to 1255 °C with increasing sodium content. The Powder XRD analyses reveal that mixed phases were observed up to 40 wt.% of Na in the KGW matrix above that percentage there is domination of scheelite structure in the synthesized powder. Polyhedral type, bi-pyramidal shape and spheroid shape morphology was observed for KGW, NKGW and NGW powders respectively. The Raman analysis was carried out to understand the vibrational characteristic changes with mixing of sodium ions in the KGW matrix.

Image analysis of the blood cells for cytomorphodiagnostics and control of the effectiveness treatment

NASA Astrophysics Data System (ADS)

Zhukotsky, Alexander V.; Kogan, Emmanuil M.; Kopylov, Victor F.; Marchenko, Oleg V.; Lomakin, O. A.

1994-07-01

A new method for morphodensitometric analysis of blood cells was applied for medically screening some ecological influence and infection pathologies. A complex algorithm of computational image processing was created for supra molecular restructurings of interphase chromatin of lymphocytes research. It includes specific methods of staining and unifies different quantitative analysis methods. Our experience with the use of a television image analyzer in cytological and immunological studies made it possible to carry out some research in morphometric analysis of chromatin structure in interphase lymphocyte nuclei in genetic and virus pathologies. In our study to characterize lymphocytes as an image-forming system by a rigorous mathematical description we used an approach involving contaminant evaluation of the topography of chromatin network intact and victims' lymphocytes. It is also possible to digitize data, which revealed significant distinctions between control and experiment. The method allows us to observe the minute structural changes in chromatin, especially eu- and hetero-chromatin that were previously studied by genetics only in chromosomes.

PDBStat: a universal restraint converter and restraint analysis software package for protein NMR.

PubMed

Tejero, Roberto; Snyder, David; Mao, Binchen; Aramini, James M; Montelione, Gaetano T

2013-08-01

The heterogeneous array of software tools used in the process of protein NMR structure determination presents organizational challenges in the structure determination and validation processes, and creates a learning curve that limits the broader use of protein NMR in biology. These challenges, including accurate use of data in different data formats required by software carrying out similar tasks, continue to confound the efforts of novices and experts alike. These important issues need to be addressed robustly in order to standardize protein NMR structure determination and validation. PDBStat is a C/C++ computer program originally developed as a universal coordinate and protein NMR restraint converter. Its primary function is to provide a user-friendly tool for interconverting between protein coordinate and protein NMR restraint data formats. It also provides an integrated set of computational methods for protein NMR restraint analysis and structure quality assessment, relabeling of prochiral atoms with correct IUPAC names, as well as multiple methods for analysis of the consistency of atomic positions indicated by their convergence across a protein NMR ensemble. In this paper we provide a detailed description of the PDBStat software, and highlight some of its valuable computational capabilities. As an example, we demonstrate the use of the PDBStat restraint converter for restrained CS-Rosetta structure generation calculations, and compare the resulting protein NMR structure models with those generated from the same NMR restraint data using more traditional structure determination methods. These results demonstrate the value of a universal restraint converter in allowing the use of multiple structure generation methods with the same restraint data for consensus analysis of protein NMR structures and the underlying restraint data.

PDBStat: A Universal Restraint Converter and Restraint Analysis Software Package for Protein NMR

PubMed Central

Tejero, Roberto; Snyder, David; Mao, Binchen; Aramini, James M.; Montelione, Gaetano T

2013-01-01

The heterogeneous array of software tools used in the process of protein NMR structure determination presents organizational challenges in the structure determination and validation processes, and creates a learning curve that limits the broader use of protein NMR in biology. These challenges, including accurate use of data in different data formats required by software carrying out similar tasks, continue to confound the efforts of novices and experts alike. These important issues need to be addressed robustly in order to standardize protein NMR structure determination and validation. PDBStat is a C/C++ computer program originally developed as a universal coordinate and protein NMR restraint converter. Its primary function is to provide a user-friendly tool for interconverting between protein coordinate and protein NMR restraint data formats. It also provides an integrated set of computational methods for protein NMR restraint analysis and structure quality assessment, relabeling of prochiral atoms with correct IUPAC names, as well as multiple methods for analysis of the consistency of atomic positions indicated by their convergence across a protein NMR ensemble. In this paper we provide a detailed description of the PDBStat software, and highlight some of its valuable computational capabilities. As an example, we demonstrate the use of the PDBStat restraint converter for restrained CS-Rosetta structure generation calculations, and compare the resulting protein NMR structure models with those generated from the same NMR restraint data using more traditional structure determination methods. These results demonstrate the value of a universal restraint converter in allowing the use of multiple structure generation methods with the same restraint data for consensus analysis of protein NMR structures and the underlying restraint data. PMID:23897031

Buckling and limit states of composite profiles with top-hat channel section subjected to axial compression

NASA Astrophysics Data System (ADS)

RóŻyło, Patryk; Debski, Hubert; Kral, Jan

2018-01-01

The subject of the research was a short thin-walled top-hat cross-section composite profile. The tested structure was subjected to axial compression. As part of the critical state research, critical load and the corresponding buckling mode was determined. Later in the study laminate damage areas were determined throughout numerical analysis. It was assumed that the profile is simply supported on the cross sections ends. Experimental tests were carried out on a universal testing machine Zwick Z100 and the results were compared with the results of numerical calculations. The eigenvalue problem and a non-linear problem of stability of thin-walled structures were carried out by the use of commercial software ABAQUS®. In the presented cases, it was assumed that the material is linear-elastic and non-linearity of the model results from the large displacements. Solution to the geometrically nonlinear problem was conducted by the use of the incremental-iterative Newton-Raphson method.

Pore Structure Characterization in Concrete Prepared with Carbonated Fly Ash

NASA Astrophysics Data System (ADS)

Sahoo, Sanjukta

2018-03-01

Carbon dioxide capture and storage (CCS) is a technique to address the global concern of continuously rising CO2 level in the atmosphere. Fly ash is considered as a suitable medium for CCS due to presence of metal oxides. The fly ash which has already sequestered carbon dioxide is referred to as carbonated fly ash. Recent research reveals better durability of concretes using carbonated fly ash as part replacement of cement. In the present research pore structure characterization of the carbonated fly ash concrete has been carried out. Mercury Intrusion porosimetry test has been conducted on control concrete and concrete specimens using fly ash and carbonated fly ash at replacement levels of 25% and 40%. The specimens have been water cured for 28 days and 90 days. It is observed that porosity reduction rate is more pronounced in carbonated fly ash concrete compared to control concrete at higher water curing age. Correlation analysis is also carried out which indicates moderately linear relationship between porosity % and pore distribution with particle size and water curing.

Influence of the wavelet order on proper damage location in plate structures

NASA Astrophysics Data System (ADS)

Pawlak, Zdzisław; Knitter-Piątkowska, Anna

2018-01-01

The rectangular thin plates were analyzed in the paper. The static response in plate structure subjected to the uniform load was derived by applying the finite element method. In the dynamic, experimental tests the accelerations were obtained with the use of modal hammer and DEWEsoft® software. Next, the analysis of the signal was carried out with the use of Discrete Wavelet Transform (DWT), provided that damage exists in the considered plate structure. It was assumed, that in the middle of the structure a certain area of the plate is thinner or there is a crack across the entire plate thickness. The aim of this work was to choose the appropriate wavelet order to reveal the localization of defect. The results of selected numerical example proved the efficiency of proposed approach.

Effect of simulated microgravitation on phytohormones and cell structure of tropical orchids

NASA Astrophysics Data System (ADS)

Cherevchenko, T.; Zaimenko, N.; Majko, T.; Sytnjanskaja, N.

When studing the effect of two month clinostating on the phytohormonal system of orchids with different types of shoot system branching and different shoot morphology, it was determined that, as a result of simulated microgravitation, endogenous growth regulators changed less in the species with sympodial branching than in species with monopodial branching and without pseudobulbs. Stimulators prevail in the balance of growth regulators in species of the first type and inhibitors in species of the second type. Besides this, comparative analysis of structural organization of juvenile leaf surface tissue of tested orchids was carried out. Variability of size, number and structure of stomatal organization were found according to species belonging to each branching type after clinostating. Electronic microscope studies show some structural peculiarities of epidermal and mesophilous cells.

Synthesis, structural, optical and thermal studies of an organic nonlinear optical 4-aminopyridinium maleate single crystal.

PubMed

Pandi, P; Peramaiyan, G; Kumar, M Krishna; Kumar, R Mohan; Jayavel, R

2012-03-01

Synthesis and growth of a novel organic nonlinear optical (NLO) crystal of 4-aminopyridinium maleate (4APM) in larger size by the slow evaporation solution growth technique are reported. Single crystal and powder X-ray diffraction analyses reveal that 4APM crystallizes in monoclinic system with space group P2(1) with cell parameters a=8.140(4)Å, b=5.457(5)Å, c=10.926(10)Å and volume=481.4(7)Å(3). The grown crystal has been characterized by Fourier transform infrared and UV-visible spectral analyses. Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) have been carried out to study its thermal properties. Dielectric measurements have been carried out to study the distribution of charges within the crystal. The mechanical strength of the crystal has been studied by using Vickers' microhardness test. The etching studies have been carried out on the grown crystal. The Kurtz and Perry powder SHG technique confirms the NLO property of the grown crystal and the SHG efficiency of 4APM was found to be 4.8 times greater than that of KDP crystal. Copyright © 2011 Elsevier B.V. All rights reserved.

Statistical analysis of modal properties of a cable-stayed bridge through long-term structural health monitoring with wireless smart sensor networks

NASA Astrophysics Data System (ADS)

Asadollahi, Parisa; Li, Jian

2016-04-01

Understanding the dynamic behavior of complex structures such as long-span bridges requires dense deployment of sensors. Traditional wired sensor systems are generally expensive and time-consuming to install due to cabling. With wireless communication and on-board computation capabilities, wireless smart sensor networks have the advantages of being low cost, easy to deploy and maintain and therefore facilitate dense instrumentation for structural health monitoring. A long-term monitoring project was recently carried out for a cable-stayed bridge in South Korea with a dense array of 113 smart sensors, which feature the world's largest wireless smart sensor network for civil structural monitoring. This paper presents a comprehensive statistical analysis of the modal properties including natural frequencies, damping ratios and mode shapes of the monitored cable-stayed bridge. Data analyzed in this paper is composed of structural vibration signals monitored during a 12-month period under ambient excitations. The correlation between environmental temperature and the modal frequencies is also investigated. The results showed the long-term statistical structural behavior of the bridge, which serves as the basis for Bayesian statistical updating for the numerical model.

The crystal structure and morphology of NiO-YSZ composite that prepared from local zircon concentrate of Bangka Island

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

Rahmawati, F., E-mail: fitria@mipa.uns.ac.id; Apriyani, K.; Heraldy, E.

2016-03-29

In order to increase the economic value of local zircon concentrate from Bangka Island, NiO-YSZ was synthesized from Zirconia, ZrO{sub 2} that was prepared from local zircon concentrate. The NiO-YSZ composite was synthesized by solid state reaction method. XRD analysis equipped with Le Bail refinement was carried out to analyze the crystal structure and cell parameters of the prepared materials. The result showed that zirconia was crystallized in tetragonal structure with a space group of P42/NMC. Yttria-Stabilized-Zirconia (YSZ) was prepared by doping 8% mol yttrium oxide into zirconia and then sintered at 1250°C for 3 hours. Doping of 8% molmore » Yttria allowed phase transformation of zirconia from tetragonal into the cubic structure. Meanwhile, the composite of NiO-YSZ consists of two crystalline phases, i.e. the NiO with cubic structure and the YSZ with cubic structure. SEM analysis of the prepared materials shows that the addition of NiO into YSZ allows the morphology to become more roughness with larger grain size.« less

Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: the myoglobin case.

PubMed

Papaleo, Elena; Mereghetti, Paolo; Fantucci, Piercarlo; Grandori, Rita; De Gioia, Luca

2009-01-01

Several molecular dynamics (MD) simulations were used to sample conformations in the neighborhood of the native structure of holo-myoglobin (holo-Mb), collecting trajectories spanning 0.22 micros at 300 K. Principal component (PCA) and free-energy landscape (FEL) analyses, integrated by cluster analysis, which was performed considering the position and structures of the individual helices of the globin fold, were carried out. The coherence between the different structural clusters and the basins of the FEL, together with the convergence of parameters derived by PCA indicates that an accurate description of the Mb conformational space around the native state was achieved by multiple MD trajectories spanning at least 0.14 micros. The integration of FEL, PCA, and structural clustering was shown to be a very useful approach to gain an overall view of the conformational landscape accessible to a protein and to identify representative protein substates. This method could be also used to investigate the conformational and dynamical properties of Mb apo-, mutant, or delete versions, in which greater conformational variability is expected and, therefore identification of representative substates from the simulations is relevant to disclose structure-function relationship.

Comparative structural modeling of six old yellow enzymes (OYEs) from the necrotrophic fungus Ascochyta rabiei: insight into novel OYE classes with differences in cofactor binding, organization of active site residues and stereopreferences.

PubMed

Nizam, Shadab; Gazara, Rajesh Kumar; Verma, Sandhya; Singh, Kunal; Verma, Praveen Kumar

2014-01-01

Old Yellow Enzyme (OYE1) was the first flavin-dependent enzyme identified and characterized in detail by the entire range of physical techniques. Irrespective of this scrutiny, true physiological role of the enzyme remains a mystery. In a recent study, we systematically identified OYE proteins from various fungi and classified them into three classes viz. Class I, II and III. However, there is no information about the structural organization of Class III OYEs, eukaryotic Class II OYEs and Class I OYEs of filamentous fungi. Ascochyta rabiei, a filamentous phytopathogen which causes Ascochyta blight (AB) in chickpea possesses six OYEs (ArOYE1-6) belonging to the three OYE classes. Here we carried out comparative homology modeling of six ArOYEs representing all the three classes to get an in depth idea of structural and functional aspects of fungal OYEs. The predicted 3D structures of A. rabiei OYEs were refined and evaluated using various validation tools for their structural integrity. Analysis of FMN binding environment of Class III OYE revealed novel residues involved in interaction. The ligand para-hydroxybenzaldehyde (PHB) was docked into the active site of the enzymes and interacting residues were analyzed. We observed a unique active site organization of Class III OYE in comparison to Class I and II OYEs. Subsequently, analysis of stereopreference through structural features of ArOYEs was carried out, suggesting differences in R/S selectivity of these proteins. Therefore, our comparative modeling study provides insights into the FMN binding, active site organization and stereopreference of different classes of ArOYEs and indicates towards functional differences of these enzymes. This study provides the basis for future investigations towards the biochemical and functional characterization of these enigmatic enzymes.

Integrated support structure for GASCAN 2

NASA Technical Reports Server (NTRS)

1990-01-01

The focus of the Worcester Polytechnic Institute (WPI) Advanced Space Design Program was the preliminary design of the Integrated Support Structure for GASCAN II, a Get Away Special canister donated by the MITRE Corporation. Two teams of three students each worked on the support structure. There was a structural design team and a thermal design team. The structure will carry three experiments also undergoing preliminary design this year, the mu-gravity Ignition Experiment, the Rotational Flow in Low Gravity Experiment, and the Ionospheric Properties and Propagation Experiment. The structural design team was responsible for the layout of the GASCAN and the preliminary design of the structure itself. They produced the physical interface specifications defining the baseline weights and volumes for the equipment and produced layout drawings of the system. The team produced static and modal finite element analysis of the structure using ANSYS. The thermal design team was responsible for the power and timing requirements of the payload and for the identification and preliminary analysis of potential thermal problems. The team produced the power, timing, and energy interface specifications and assisted in the development of the specification of the battery pack. The thermal parameters of each experiment were cataloged and the experiments were subjected to worst case heat transfer scenarios.

Thermal Analysis of a Structural Solution for Sustainable, Modular and Prefabricated Buildings

NASA Astrophysics Data System (ADS)

Isopescu, D. N.; Maxineasa, S. G.; Neculai, O.

2017-06-01

In the construction field, the design principles for an efficient and operational use of buildings and a minimal impact on the environment are essential aspects of sustainable development. In this regard, several aspects must be taken into consideration, such as: durability, easy maintenance, flexibility in interior design, and reduced energy consumption. Decreasing energy consumption in buildings during the service life (heating / cooling / drinking water / electricity) can mean lower costs, but also a lower impact on the environment. The paper presents the thermal analysis for a GF+1F height structure, consisting of several identical, adjacent and / or overlapped metallic cubic modules. The spaces inside this cubes ensemble solve the functionality of a family home building. The good carrying capacity, the rapidity of execution, the superior degree of thermal insulation and the minimum losses of material in execution were the main advantages provided by this structural solution. Regarding the thermal comfort for the users of this constructive system, the thermal analysis showed that the internal temperatures are constant and uniform, without cold surfaces or temperature fluctuations. In addition, humidity is controlled and there is no risk of condensation.

Astronautic Structures Manual, Volume 3

NASA Technical Reports Server (NTRS)

1975-01-01

This document (Volumes I, II, and III) presents a compilation of industry-wide methods in aerospace strength analysis that can be carried out by hand, that are general enough in scope to cover most structures encountered, and that are sophisticated enough to give accurate estimates of the actual strength expected. It provides analysis techniques for the elastic and inelastic stress ranges. It serves not only as a catalog of methods not usually available, but also as a reference source for the background of the methods themselves. An overview of the manual is as follows: Section A is a general introduction of methods used and includes sections on loads, combined stresses, and interaction curves; Section B is devoted to methods of strength analysis; Section C is devoted to the topic of structural stability; Section D is on thermal stresses; Section E is on fatigue and fracture mechanics; Section F is on composites; Section G is on rotating machinery; and Section H is on statistics. These three volumes supersede Volumes I and II, NASA TM X-60041 and NASA TM X-60042, respectively.

Crystal growth, structural, optical, dielectric and thermal studies of an amino acid based organic NLO material: L-phenylalanine L-phenylalaninium malonate.

PubMed

Prakash, M; Geetha, D; Caroline, M Lydia; Ramesh, P S

2011-12-01

Good transparent single crystals of L-phenylalanine L-phenylalaninium malonate (LPPMA) have been grown successfully by slow evaporation technique from aqueous solution. Single crystal X-ray diffractometer was utilized to measure unit cell parameter and to confirm the crystal structure. The chemical structure of compound was established by FT-NMR technique. The vibrational modes of the molecules of elucidated from FTIR spectra. Its optical behaviour has been examined by UV-vis spectral analysis, which shows the absence of absorbance in the visible region. Thermal properties of the LPPMA crystal were carried out by thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) techniques, which indicate that the material does not decompose before melting. The melting point of grown crystal was observed as 180°C by melting point apparatus. The NLO property was confirmed by the powder technique of Kurtz and Perry. The dielectric behaviour of the sample was also studied for the first time. Copyright © 2011 Elsevier B.V. All rights reserved.

Experimental and Theoretical Approaches for the Surface Interaction between Copper and Activated Sludge Microorganisms at Molecular Scale

NASA Astrophysics Data System (ADS)

Luo, Hong-Wei; Chen, Jie-Jie; Sheng, Guo-Ping; Su, Ji-Hu; Wei, Shi-Qiang; Yu, Han-Qing

2014-11-01

Interactions between metals and activated sludge microorganisms substantially affect the speciation, immobilization, transport, and bioavailability of trace heavy metals in biological wastewater treatment plants. In this study, the interaction of Cu(II), a typical heavy metal, onto activated sludge microorganisms was studied in-depth using a multi-technique approach. The complexing structure of Cu(II) on microbial surface was revealed by X-ray absorption fine structure (XAFS) and electron paramagnetic resonance (EPR) analysis. EPR spectra indicated that Cu(II) was held in inner-sphere surface complexes of octahedral coordination with tetragonal distortion of axial elongation. XAFS analysis further suggested that the surface complexation between Cu(II) and microbial cells was the distorted inner-sphere coordinated octahedra containing four short equatorial bonds and two elongated axial bonds. To further validate the results obtained from the XAFS and EPR analysis, density functional theory calculations were carried out to explore the structural geometry of the Cu complexes. These results are useful to better understand the speciation, immobilization, transport, and bioavailability of metals in biological wastewater treatment plants.

An online input force time history reconstruction algorithm using dynamic principal component analysis

NASA Astrophysics Data System (ADS)

Prawin, J.; Rama Mohan Rao, A.

2018-01-01

The knowledge of dynamic loads acting on a structure is always required for many practical engineering problems, such as structural strength analysis, health monitoring and fault diagnosis, and vibration isolation. In this paper, we present an online input force time history reconstruction algorithm using Dynamic Principal Component Analysis (DPCA) from the acceleration time history response measurements using moving windows. We also present an optimal sensor placement algorithm to place limited sensors at dynamically sensitive spatial locations. The major advantage of the proposed input force identification algorithm is that it does not require finite element idealization of structure unlike the earlier formulations and therefore free from physical modelling errors. We have considered three numerical examples to validate the accuracy of the proposed DPCA based method. Effects of measurement noise, multiple force identification, different kinds of loading, incomplete measurements, and high noise levels are investigated in detail. Parametric studies have been carried out to arrive at optimal window size and also the percentage of window overlap. Studies presented in this paper clearly establish the merits of the proposed algorithm for online load identification.

Investigation of anodic TiO2 nanotube composition with high spatial resolution AES and ToF SIMS

NASA Astrophysics Data System (ADS)

Dronov, Alexey; Gavrilin, Ilya; Kirilenko, Elena; Dronova, Daria; Gavrilov, Sergey

2018-03-01

High resolution Scanning Auger Electron Spectroscopy (AES) and Time-of-Flight Secondary Ion Mass-Spectrometry (ToF SIMS) were used to investigate structure and elemental composition variation of both across an array of TiO2 nanotubes (NTs) and single tube of an array. The TiO2 NT array was grown by anodic oxidation of Ti foil in fluorine-containing ethylene glycol electrolyte. It was found that the studied anodic TiO2 nanotubes have a layered structure with rather sharp interfaces. The differences in AES depth profiling results of a single tube with the focused primary electron beam (point analysis) and over an area of 75 μm in diameter of a nanotube array with the defocused primary electron beam are discussed. Depth profiling by ToF SIMS was carried out over approximately the same size of a nanotube array to determine possible ionic fragments in the structure. The analysis results show that the combination of both mentioned methods is useful for a detailed analysis of nanostructures with complex morphology and multi-layered nature.

[Automated morphometric evaluation of the chromatin structure of liver cell nuclei after vagotomy].

PubMed

Butusova, N N; Zhukotskiĭ, A V; Sherbo, I V; Gribkov, E N; Dubovaia, T K

1989-05-01

The morphometric analysis of the interphase chromatine structure of the hepatic cells nuclei was carried out on the automated TV installation for the quantitative analysis of images "IBAS-2" (by the OPTON firm, the FRG) according to 50 optical and geometric parameters during various periods (1.2 and 4 weeks) after the vagotomy operation. It is determined that upper-molecular organisation of chromatine undergoes the biggest changes one week after operation, and changes of granular component are more informative than changes of the nongranular component (with the difference 15-20%). It was also revealed that chromatine components differ in tinctorial properties, which are evidently dependent on physicochemical characteristics of the chromatine under various functional conditions of the cell. As a result of the correlation analysis the group of morphometric indices of chromatine structure was revealed, which are highly correlated with level of transcription activity of chromatine during various terms after denervation. The correlation quotient of these parameters is 0.85-0.97. The summing up: vagus denervation of the liver causes changes in the morphofunctional organisation of the chromatine.

Vibration analysis of resistance spot welding joint for dissimilar plate structure (mild steel 1010 and stainless steel 304)

NASA Astrophysics Data System (ADS)

Sani, M. S. M.; Nazri, N. A.; Alawi, D. A. J.

2017-09-01

Resistance spot welding (RSW) is a proficient joining method commonly used for sheet metal joining and become one of the oldest spot welding processes use in industry especially in the automotive. RSW involves the application of heat and pressure without neglecting time taken when joining two or more metal sheets at a localized area which is claimed as the most efficient welding process in metal fabrication. The purpose of this project is to perform model updating of RSW plate structure between mild steel 1010 and stainless steel 304. In order to do the updating, normal mode finite element analysis (FEA) and experimental modal analysis (EMA) have been carried out. Result shows that the discrepancies of natural frequency between FEA and EMA are below than 10 %. Sensitivity model updating is evaluated in order to make sure which parameters are influences in this structural dynamic modification. Young’s modulus and density both materials are indicate significant parameters to do model updating. As a conclusion, after perform model updating, total average error of dissimilar RSW plate is improved significantly.

A mechanistic insight into the amyloidogenic structure of hIAPP peptide revealed from sequence analysis and molecular dynamics simulation.

PubMed

Chakraborty, Sandipan; Chatterjee, Barnali; Basu, Soumalee

2012-07-01

A collective approach of sequence analysis, phylogenetic tree and in silico prediction of amyloidogenecity using bioinformatics tools have been used to correlate the observed species-specific variations in IAPP sequences with the amyloid forming propensity. Observed substitution patterns indicate that probable changes in local hydrophobicity are instrumental in altering the aggregation propensity of the peptide. In particular, residues at 17th, 22nd and 23rd positions of the IAPP peptide are found to be crucial for amyloid formation. Proline25 primarily dictates the observed non-amyloidogenecity in rodents. Furthermore, extensive molecular dynamics simulation of 0.24 μs have been carried out with human IAPP (hIAPP) fragment 19-27, the portion showing maximum sequence variation across different species, to understand the native folding characteristic of this region. Principal component analysis in combination with free energy landscape analysis illustrates a four residue turn spanning from residue 22 to 25. The results provide a structural insight into the intramolecular β-sheet structure of amylin which probably is the template for nucleation of fibril formation and growth, a pathogenic feature of type II diabetes. Copyright © 2012 Elsevier B.V. All rights reserved.

Experimental strain modal analysis for beam-like structure by using distributed fiber optics and its damage detection

NASA Astrophysics Data System (ADS)

Cheng, Liangliang; Busca, Giorgio; Cigada, Alfredo

2017-07-01

Modal analysis is commonly considered as an effective tool to obtain the intrinsic characteristics of structures including natural frequencies, modal damping ratios, and mode shapes, which are significant indicators for monitoring the health status of engineering structures. The complex mode indicator function (CMIF) can be regarded as an effective numerical tool to perform modal analysis. In this paper, experimental strain modal analysis based on the CMIF has been introduced. Moreover, a distributed fiber-optic sensor, as a dense measuring device, has been applied to acquire strain data along a beam surface. Thanks to the dense spatial resolution of the distributed fiber optics, more detailed mode shapes could be obtained. In order to test the effectiveness of the method, a mass lump—considered as a linear damage component—has been attached to the surface of the beam, and damage detection based on strain mode shape has been carried out. The results manifest that strain modal parameters can be estimated effectively by utilizing the CMIF based on the corresponding simulations and experiments. Furthermore, damage detection based on strain mode shapes benefits from the accuracy of strain mode shape recognition and the excellent performance of the distributed fiber optics.

Acoustic design criteria in a general system for structural optimization

NASA Technical Reports Server (NTRS)

Brama, Torsten

1990-01-01

Passenger comfort is of great importance in most transport vehicles. For instance, in the new generation of regional turboprop aircraft, a low noise level is vital to be competitive on the market. The possibilities to predict noise levels analytically has improved rapidly in recent years. This will make it possible to take acoustic design criteria into account in early project stages. The development of the ASKA FE-system to include also acoustic analysis has been carried out at Saab Aircraft Division and the Aeronautical Research Institute of Sweden in a joint project. New finite elements have been developed to model the free fluid, porous damping materials, and the interaction between the fluid and structural degrees of freedom. The FE approach to the acoustic analysis is best suited for lower frequencies up to a few hundred Hz. For accurate analysis of interior cabin noise, large 3-D FE-models are built, but 2-D models are also considered to be useful for parametric studies and optimization. The interest is here focused on the introduction of an acoustic design criteria in the general structural optimization system OPTSYS available at the Saab Aircraft Division. The first implementation addresses a somewhat limited class of problems. The problems solved are formulated: Minimize the structural weight by modifying the dimensions of the structure while keeping the noise level in the cavity and other structural design criteria within specified limits.

Molecular and ultrastructural analysis of forisome subunits reveals the principles of forisome assembly

PubMed Central

Müller, Boje; Groscurth, Sira; Menzel, Matthias; Rüping, Boris A.; Twyman, Richard M.; Prüfer, Dirk; Noll, Gundula A.

2014-01-01

Background and Aims Forisomes are specialized structural phloem proteins that mediate sieve element occlusion after wounding exclusively in papilionoid legumes, but most studies of forisome structure and function have focused on the Old World clade rather than the early lineages. A comprehensive phylogenetic, molecular, structural and functional analysis of forisomes from species covering a broad spectrum of the papilionoid legumes was therefore carried out, including the first analysis of Dipteryx panamensis forisomes, representing the earliest branch of the Papilionoideae lineage. The aim was to study the molecular, structural and functional conservation among forisomes from different tribes and to establish the roles of individual forisome subunits. Methods Sequence analysis and bioinformatics were combined with structural and functional analysis of native forisomes and artificial forisome-like protein bodies, the latter produced by expressing forisome genes from different legumes in a heterologous background. The structure of these bodies was analysed using a combination of confocal laser scanning microscopy (CLSM), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), and the function of individual subunits was examined by combinatorial expression, micromanipulation and light microscopy. Key Results Dipteryx panamensis native forisomes and homomeric protein bodies assembled from the single sieve element occlusion by forisome (SEO-F) subunit identified in this species were structurally and functionally similar to forisomes from the Old World clade. In contrast, homomeric protein bodies assembled from individual SEO-F subunits from Old World species yielded artificial forisomes differing in proportion to their native counterparts, suggesting that multiple SEO-F proteins are required for forisome assembly in these plants. Structural differences between Medicago truncatula native forisomes, homomeric protein bodies and heteromeric bodies containing all possible subunit combinations suggested that combinations of SEO-F proteins may fine-tune the geometric proportions and reactivity of forisomes. Conclusions It is concluded that forisome structure and function have been strongly conserved during evolution and that species-dependent subsets of SEO-F proteins may have evolved to fine-tune the structure of native forisomes. PMID:24694827

Microstructural development at weld interface between Zr-based glassy alloy and stainless steel by resistance microwelding

NASA Astrophysics Data System (ADS)

Fukumoto, S.; Minami, M.; Soeda, A.; Matsushima, M.; Takahashi, M.; Yokoyama, Y.; Fujimoto, K.

2012-08-01

Zr-based bulk metallic glasses are expected to be welded to conventional structural alloys. Dissimilar welding of metallic glasses to stainless steel was carried out by resistance microwelding. The metallurgical analysis of the weld interface revealed the welding mechanism. A thin reaction layer was formed between the two liquid materials. The melting of stainless steel should be limited to obtain sound joints.

Educational Transfer as Transformation: A Case Study about the Emergence and Implementation of Dual Apprenticeship Structures in a German Automotive Transplant in the United States

ERIC Educational Resources Information Center

Gessler, Michael

2017-01-01

The apprenticeship system in Germany is carried out both by companies and vocational schools (the Dual System). The question of whether the German Dual System is transferable is currently being asked in vocational education and training research. The analysis of current transfer discourses alludes to a research desideratum: the actual approaches…

2D problems of surface growth theory with applications to additive manufacturing

NASA Astrophysics Data System (ADS)

Manzhirov, A. V.; Mikhin, M. N.

2018-04-01

We study 2D problems of surface growth theory of deformable solids and their applications to the analysis of the stress-strain state of AM fabricated products and structures. Statements of the problems are given, and a solution method based on the approaches of the theory of functions of a complex variable is suggested. Computations are carried out for model problems. Qualitative and quantitative results are discussed.

An Analysis on High School Students' Perceptions of Physics Courses in Terms of Gender (A Sample from Turkey)

ERIC Educational Resources Information Center

Baran, Medine

2016-01-01

This study was carried out to determine high school students' perceptions of the courses of Physics and the factors influential on their perceptions with respect to gender. The research sample included 154 high school students (F:78; M:76). In the study, as the data collection tool, a structured interview form was used. The data collected in the…

Direct numerical simulation of the flow around an aerofoil in ramp-up motion

NASA Astrophysics Data System (ADS)

Rosti, Marco E.; Omidyeganeh, Mohammad; Pinelli, Alfredo

2016-02-01

A detailed analysis of the flow around a NACA0020 aerofoil at Rec = 2 × 104 undergoing a ramp up motion has been carried out by means of direct numerical simulations. During the manoeuvre, the angle of attack is linearly varied in time between 0° and 20° with a constant rate of change of α ˙ rad = 0 . 12 U ∞ / c . When the angle of incidence has reached the final value, the lift experiences a first overshoot and then suddenly decreases towards the static stall asymptotic value. The transient instantaneous flow is dominated by the generation and detachment of the dynamic stall vortex, a large scale structure formed by the merging of smaller scales vortices generated by an instability originating at the trailing edge. New insights on the vorticity dynamics leading to the lift overshoot, lift crisis, and the damped oscillatory cycle that gradually matches the steady condition are discussed using a number of post-processing techniques. These include a detailed analysis of the flow ensemble average statistics and coherent structures identification carried out using the Q -criterion and the finite-time Lyapunov exponent technique. The results are compared with the one obtained in a companion simulation considering a static stall condition at the final angle of incidence α = 20°.

Effect of Genetic Variant in BICC1 on Functional and Structural Brain Changes in Depression

PubMed Central

Bermingham, Rachel; Carballedo, Angela; Lisiecka, Danuta; Fagan, Andrew; Morris, Derek; Fahey, Ciara; Donohoe, Gary; Meaney, James; Gill, Michael; Frodl, Thomas

2012-01-01

Genes and early-life adversity (ELA) interactively increase the risk of developing major depressive disorder (MDD). A recent genome-wide association study suggests that the minor T-allele of single-nucleotide polymorphisms in the bicaudal C homolog 1 gene (BICC1) has a protective role against MDD. The aims of the study were to investigate whether the minor T-allele of BICC1 is protective against hippocampal structural brain changes, whether it is associated with increased functional brain activity in the emotion regulation system, and how ELA would modify this association. Forty-four patients with MDD and 44 healthy controls were investigated using structural magnetic resonance imaging (MRI) and functional MRI with an emotion inhibition task. Analysis of a single-nucleotide polymorphism in the BICC1-1 (rs999845) gene was performed. Right hippocampal bodies of patients and controls without a history of ELA and who carry the protective T-allele of BICC1 were significantly larger compared with those participants homozygous for the major C-allele of BICC1. However, MDD patients with ELA, who carry the T-allele, had smaller hippocampal head volumes compared with MDD patients without ELA. FMRI showed that patients and controls carrying the protective T-allele of BICC1 activate the emotion regulation system significantly more compared with those participants homozygous for the major C-allele (p<0.05, family wise error corrected). These results are suggestive that the minor T-allele of BICC1 has a protective role against MDD and its known structural and functional brain changes. However, this protective effect seems to be lost in the case of co-occurrence of ELA. PMID:22910460

Geological Investigation and analysis in response to Earthquake Induced Landslide in West Sumatra

NASA Astrophysics Data System (ADS)

Karnawati, D.; Wilopo, W.; Salahudin, S.; Sudarno, I.; Burton, P.

2009-12-01

Substantial socio-economical loss occurred in response to the September 30. 2009 West Sumatra Earthquake with magnitude of 7.6. Damage of houses and engineered structures mostly occurred at the low land of alluvium sediments due to the ground amplification, whilst at the high land of mountain slopes several villages were buried by massive debris of rocks and soils. It was recorded that 1115 people died due to this disasters. Series of geological investigation was carried out by Geological Engineering Department of Gadjah Mada University, with the purpose to support the rehabilitation program. Based on this preliminary investigation it was identified that most of the house and engineered structural damages at the alluvial deposits mainly due to by the poor quality of such houses and engineered structures, which poorly resist the ground amplification, instead of due to the control of geological conditions. On the other hand, the existence and distribution of structural geology (faults and joints) at the mountaineous regions are significant in controlling the distribution of landslides, with the types of rock falls, debris flows and debris falls. Despite the landslide susceptibility mapping conducted by Geological Survey of Indonesia, more detailed investigation is required to be carried out in the region surrounding Maninjau Lake, in order to provide safer places for village relocation. Accordingly Gadjah Mada University in collaboration with the local university (Andalas University) as well as with the local Government of Agam Regency and the Geological Survey of Indonesia, serve the mission for conducting rather more detailed geological and landslide investigation. It is also crucial that the investigation (survey and mapping) on the social perception and expectation of local people living in this landslide susceptible area should also be carried out, to support the mitigation effort of any future potential earthquake induced landslides.

Investigation of Interrelation between Deformation, Composition and Structural Characteristics of Magnesium Oxychloride Cements

NASA Astrophysics Data System (ADS)

Averina, G. F.; Chernykh, T. N.; Kramar, L. Ya

2017-11-01

The paper studies the process of volume deformation changes in magnesium cement at its hardening in accordance with its composition and structural peculiarities, which result from the roasting parameters of the raw materials. The study has been carried out with the aim of broadening raw materials sources for production of magnesia cements and construction materials through the use waste products of ore-dressing and processing enterprises. The mineralogical and phase composition of magnesium cements, obtained on the basis of magnesite with high content of impurity minerals from the mine dumps, has been studied by the X-ray phase analysis and derivatography. The roasting of the initial raw materials was carried out at various temperature conditions in order to get cements of different activities. The typical content of hydrated phases has been found for the hardened magnesian stone obtained from cements with different activity degrees. The characteristics of volume deformations developed in the magnesian stone have been described in relation to its phase composition. The influence of low- and high-activity crystals and calcium oxide crystals on the soundness and the structural integrity of magnesian stone has been covered.

A framework for performing workplace hazard and risk analysis: a participative ergonomics approach.

PubMed

Morag, Ido; Luria, Gil

2013-01-01

Despite the unanimity among researchers about the centrality of workplace analysis based on participatory ergonomics (PE) as a basis for preventive interventions, there is still little agreement about the necessary of a theoretical framework for providing practical guidance. In an effort to develop a conceptual PE framework, the authors, focusing on 20 studies, found five primary dimensions for characterising an analytical structure: (1) extent of workforce involvement; (2) analysis duration; (3) diversity of reporter role types; (4) scope of analysis and (5) supportive information system for analysis management. An ergonomics analysis carried out in a chemical manufacturing plant serves as a case study for evaluating the proposed framework. The study simultaneously demonstrates the five dimensions and evaluates their feasibility. The study showed that managerial leadership was fundamental to the successful implementation of the analysis; that all job holders should participate in analysing their own workplace and simplified reporting methods contributed to a desirable outcome. This paper seeks to clarify the scope of workplace ergonomics analysis by offering a theoretical and structured framework for providing practical advice and guidance. Essential to successfully implementing the analytical framework are managerial involvement, participation of all job holders and simplified reporting methods.

Vibrational spectroscopic, structural and nonlinear optical activity studies on 2-amino-3-chloro-5-trifluoromethyl pyridine: A DFT approach

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

Asath, R. Mohamed; Premkumar, S.; Mathavan, T.

2016-05-23

The conformational analysis was carried out for 2-amino-3-chloro-5-trifluoromethylpyridine using potential energy surface (PES) scan and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program package. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the calculation of ionization energy, electron affinity, global hardness, chemical potential, electrophilicity index and softness of the moleculemore » were carried out. The nonlinear optical (NLO) activity was studied and the first order hyperpolarizability value was computed, which was 3.48 times greater than the urea. The natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ACTP molecule is a promising candidate for NLO materials.« less

Vibrational spectroscopic, structural and nonlinear optical activity studies on 2-amino-3-chloro-5-trifluoromethyl pyridine: A DFT approach

NASA Astrophysics Data System (ADS)

Asath, R. Mohamed; Premkumar, S.; Rekha, T. N.; Jawahar, A.; Mathavan, T.; Benial, A. Milton Franklin

2016-05-01

The conformational analysis was carried out for 2-amino-3-chloro-5-trifluoromethylpyridine using potential energy surface (PES) scan and the most stable optimized conformer was predicted. The theoretical vibrational frequencies were calculated for the optimized geometry using DFT/B3LYP cc-pVQZ basis set by Gaussian 09 Program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using VEDA 4.0 program package. The Mulliken atomic charge values were calculated. In the Frontier molecular orbitals analysis, the molecular reactivity, kinetic stability, intermolecular charge transfer studies and the calculation of ionization energy, electron affinity, global hardness, chemical potential, electrophilicity index and softness of the molecule were carried out. The nonlinear optical (NLO) activity was studied and the first order hyperpolarizability value was computed, which was 3.48 times greater than the urea. The natural bond orbital analysis was also performed to confirm the NLO activity of the molecule. Hence, the ACTP molecule is a promising candidate for NLO materials.

Analysis of Foundation of Tall R/C Chimney Incorporating Flexibility of Soil

NASA Astrophysics Data System (ADS)

Jayalekshmi, B. R.; Jisha, S. V.; Shivashankar, R.

2017-09-01

Three dimensional Finite Element (FE) analysis was carried out for 100 and 400 m high R/C chimneys having piled annular raft and annular raft foundations considering the flexibility of soil subjected to across-wind load. Stiffness of supporting soil and foundation were varied to evaluate the significance of Soil-Structure Interaction (SSI). The integrated chimney-foundation-soil system was analysed by finite element software ANSYS based on direct method of SSI assuming linear elastic material behaviour. FE analyses were carried out for two cases of SSI namely, (1) chimney with annular raft foundation and (2) chimney with piled annular raft foundation. The responses in raft such as bending moments and settlements were evaluated for both the cases and compared to those obtained from the conventional method of analysis of annular raft foundation. It is found that the responses in raft vary considerably depending on the stiffness of the underlying soil and the stiffness of foundation. Piled raft foundations are better suited for tall chimneys to be constructed in loose or medium sand.

Synthesis and electrical properties of (LiCo 3/5Fe 1/5Mn 1/5)VO 4 ceramics

NASA Astrophysics Data System (ADS)

Ram, Moti

2010-03-01

(LiCo 3/5Fe 1/5Mn 1/5)VO 4 ceramic was synthesized via solution-based chemical method. X-ray diffraction analysis was carried out on the synthesized powder sample at room temperature, which confirms the orthorhombic structure with the lattice parameters of a = 10.3646 (20) Å, b = 3.7926 (20) Å, c = 9.2131 (20) Å. Field emission scanning electron microscopic analysis was carried out on the sintered pellet sample that indicates grains of unequal sizes (˜0.1 to 2 μm) presents average grains size with polydisperse distribution on the surface of the ceramic. Complex impedance spectroscopy (CIS) technique is used for the study of electrical properties. CIS analysis identifies: (i) grain interior, grain boundary and electrode-material interface contributions to electrical response (ii) the presence of temperature dependent electrical relaxation phenomena in the ceramics. Detailed conductivity study indicates that electrical conduction in the material is a thermally activated process. The variation of A.C. conductivity with frequency at different temperatures obeys Jonscher's universal law.