Systems definition study for shuttle demonstration flights of large space structures. Volume 3: Thermal analyses

NASA Technical Reports Server (NTRS)

1979-01-01

the development of large space structure technology is discussed. A detailed thermal analysis of a model space fabricated 1 meter beam is presented. Alternative thermal coatings are evaluated, and deflections, stresses, and stiffness variations resulting from flight orientations and solar conditions are predicted.

Establishment of design criteria for acceptable failure modes and fail safe considerations for the space shuttle structural system

NASA Technical Reports Server (NTRS)

Westrup, R. W.

1972-01-01

Investigations of fatigue life, and safe-life and fail-safe design concepts as applied to space shuttle structure are summarized. The results are evaluated to select recommended structural design criteria to provide assurance that premature failure due to propagation of undetected crack-like defects will not occur during shuttle operational service. The space shuttle booster, GDC configuration B-9U, is selected as the reference vehicle. Structural elements used as basis of detail analyses include wing spar caps, vertical stabilizer skins, crew compartment skin, orbiter support frame, and propellant tank shell structure. Fatigue life analyses of structural elements are performed to define potential problem areas and establish upper limits of operating stresses. Flaw growth analyses are summarized in parametric form over a range of initial flaw types and sizes, operating stresses and service life requirements. Service life of 100 to 500 missions is considered.

Integrated NDE and FEM characterization of composite rotors

NASA Astrophysics Data System (ADS)

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

2001-08-01

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

An Integrated NDE and FEM Characterization of Composite Rotors

NASA Technical Reports Server (NTRS)

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

2000-01-01

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

Structural analysis consultation using artificial intelligence

NASA Technical Reports Server (NTRS)

Melosh, R. J.; Marcal, P. V.; Berke, L.

1978-01-01

The primary goal of consultation is definition of the best strategy to deal with a structural engineering analysis objective. The knowledge base to meet the need is designed to identify the type of numerical analysis, the needed modeling detail, and specific analysis data required. Decisions are constructed on the basis of the data in the knowledge base - material behavior, relations between geometry and structural behavior, measures of the importance of time and temperature changes - and user supplied specifics characteristics of the spectrum of analysis types, the relation between accuracy and model detail on the structure, its mechanical loadings, and its temperature states. Existing software demonstrated the feasibility of the approach, encompassing the 36 analysis classes spanning nonlinear, temperature affected, incremental analyses which track the behavior of structural systems.

Refining Windows and Frames: Visions toward Integration in the Discipline(s) of Communication. Part II.

ERIC Educational Resources Information Center

Burke, Ken

1998-01-01

Detailed analyses are made of the concepts of window (seemingly deep spatial renderings) and frame (flatter, more technique-conscious structures) as they apply to a wide variety of visual media and communicative purposes. Special cases of each of these are detailed, along with their applications in cinema history to a range of realist, formalist,…

Advances in Fatigue and Fracture Mechanics Analyses for Aircraft Structures

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.

1999-01-01

This paper reviews some of the advances that have been made in stress analyses of cracked aircraft components, in the understanding of the fatigue and fatigue-crack growth process, and in the prediction of residual strength of complex aircraft structures with widespread fatigue damage. Finite-element analyses of cracked structures are now used to determine accurate stress-intensity factors for cracks at structural details. Observations of small-crack behavior at open and rivet-loaded holes and the development of small-crack theory has lead to the prediction of stress-life behavior for components with stress concentrations under aircraft spectrum loading. Fatigue-crack growth under simulated aircraft spectra can now be predicted with the crack-closure concept. Residual strength of cracked panels with severe out-of-plane deformations (buckling) in the presence of stiffeners and multiple-site damage can be predicted with advanced elastic-plastic finite-element analyses and the critical crack-tip-opening angle (CTOA) fracture criterion. These advances are helping to assure continued safety of aircraft structures.

Advances in Fatigue and Fracture Mechanics Analyses for Metallic Aircraft Structures

NASA Technical Reports Server (NTRS)

Newman, J. C., Jr.

2000-01-01

This paper reviews some of the advances that have been made in stress analyses of cracked aircraft components, in the understanding of the fatigue and fatigue-crack growth process, and in the prediction of residual strength of complex aircraft structures with widespread fatigue damage. Finite-element analyses of cracked metallic structures are now used to determine accurate stress-intensity factors for cracks at structural details. Observations of small-crack behavior at open and rivet-loaded holes and the development of small-crack theory has lead to the prediction of stress-life behavior for components with stress concentrations under aircraft spectrum loading. Fatigue-crack growth under simulated aircraft spectra can now be predicted with the crack-closure concept. Residual strength of cracked panels with severe out-of-plane deformations (buckling) in the presence of stiffeners and multiple-site damage can be predicted with advanced elastic-plastic finite-element analyses and the critical crack-tip-opening angle (CTOA) fracture criterion. These advances are helping to assure continued safety of aircraft structures.

Modular space station phase B extension, preliminary system design. Volume 4: Subsystems analyses

NASA Technical Reports Server (NTRS)

Antell, R. W.

1972-01-01

The subsystems tradeoffs, analyses, and preliminary design results are summarized. Analyses were made of the structural and mechanical, environmental control and life support, electrical power, guidance and control, reaction control, information, and crew habitability subsystems. For each subsystem a summary description is presented including subsystem requirements, subsystem description, and subsystem characteristics definition (physical, performance, and interface). The major preliminary design data and tradeoffs or analyses are described in detail at each of the assembly levels.

Cryogenic Tank Structure Sizing With Structural Optimization Method

NASA Technical Reports Server (NTRS)

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

2001-01-01

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

Optimisation and evaluation of pre-design models for offshore wind turbines with jacket support structures and their influence on integrated load simulations

NASA Astrophysics Data System (ADS)

Schafhirt, S.; Kaufer, D.; Cheng, P. W.

2014-12-01

In recent years many advanced load simulation tools, allowing an aero-servo-hydroelastic analyses of an entire offshore wind turbine, have been developed and verified. Nowadays, even an offshore wind turbine with a complex support structure such as a jacket can be analysed. However, the computational effort rises significantly with an increasing level of details. This counts especially for offshore wind turbines with lattice support structures, since those models do naturally have a higher number of nodes and elements than simpler monopile structures. During the design process multiple load simulations are demanded to obtain an optimal solution. In the view of pre-design tasks it is crucial to apply load simulations which keep the simulation quality and the computational effort in balance. The paper will introduce a reference wind turbine model consisting of the REpower5M wind turbine and a jacket support structure with a high level of detail. In total twelve variations of this reference model are derived and presented. Main focus is to simplify the models of the support structure and the foundation. The reference model and the simplified models are simulated with the coupled simulation tool Flex5-Poseidon and analysed regarding frequencies, fatigue loads, and ultimate loads. A model has been found which reaches an adequate increase of simulation speed while holding the results in an acceptable range compared to the reference results.

Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors.

PubMed

Schmaltz, Thomas; Gothe, Bastian; Krause, Andreas; Leitherer, Susanne; Steinrück, Hans-Georg; Thoss, Michael; Clark, Timothy; Halik, Marcus

2017-09-26

Self-assembled monolayer field-effect transistors (SAMFETs) are not only a promising type of organic electronic device but also allow detailed analyses of structure-property correlations. The influence of the morphology on the charge transport is particularly pronounced, due to the confined monolayer of 2D-π-stacked organic semiconductor molecules. The morphology, in turn, is governed by relatively weak van-der-Waals interactions and is thus prone to dynamic structural fluctuations. Accordingly, combining electronic and physical characterization and time-averaged X-ray analyses with the dynamic information available at atomic resolution from simulations allows us to characterize self-assembled monolayer (SAM) based devices in great detail. For this purpose, we have constructed transistors based on SAMs of two molecules that consist of the organic p-type semiconductor benzothieno[3,2-b][1]benzothiophene (BTBT), linked to a C 11 or C 12 alkylphosphonic acid. Both molecules form ordered SAMs; however, our experiments show that the size of the crystalline domains and the charge-transport properties vary considerably in the two systems. These findings were confirmed by molecular dynamics (MD) simulations and semiempirical molecular-orbital electronic-structure calculations, performed on snapshots from the MD simulations at different times, revealing, in atomistic detail, how the charge transport in organic semiconductors is influenced and limited by dynamic disorder.

Thermal Structure Analysis of SIRCA Tile for X-34 Wing Leading Edge TPS

NASA Technical Reports Server (NTRS)

Milos, Frank S.; Squire, Thomas H.; Rasky, Daniel J. (Technical Monitor)

1997-01-01

This paper will describe in detail thermal/structural analyses of SIRCA tiles which were performed at NASA Ames under the The Tile Analysis Task of the X-34 Program. The analyses used the COSMOS/M finite element software to simulate the material response in arc-jet tests, mechanical deflection tests, and the performance of candidate designs for the TPS system. Purposes of the analysis were to verify thermal and structural models for the SIRCA tiles, to establish failure criteria for stressed tiles, to simulate the TPS response under flight aerothermal and mechanical load, and to confirm that adequate safety margins exist for the actual TPS design.

Arrow-wing supersonic cruise aircraft structural design concepts evaluation. Volume 1: Sections 1 through 6

NASA Technical Reports Server (NTRS)

Sakata, I. F.; Davis, G. W.

1975-01-01

The structural approach best suited for the design of a Mach 2.7 arrow-wing supersonic cruise aircraft was investigated. Results, procedures, and principal justification of results are presented. Detailed substantiation data are given. In general, each major analysis is presented sequentially in separate sections to provide continuity in the flow of the design concepts analysis effort. In addition to the design concepts evaluation and the detailed engineering design analyses, supporting tasks encompassing: (1) the controls system development; (2) the propulsion-airframe integration study; and (3) the advanced technology assessment are presented.

Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis

PubMed Central

2016-01-01

X-ray crystal structural determination of FABP4 in complex with four inhibitors revealed the complex binding modes, and the resulting observations led to improvement of the inhibitory potency of FABP4 inhibitors. However, the detailed structure–activity relationship (SAR) could not be explained from these structural observations. For a more detailed understanding of the interactions between FABP4 and inhibitors, fragment molecular orbital analyses were performed. These analyses revealed that the total interfragment interaction energies of FABP4 and each inhibitor correlated with the ranking of the Ki value for the four inhibitors. Furthermore, interactions between each inhibitor and amino acid residues in FABP4 were identified. The oxygen atom of Lys58 in FABP4 was found to be very important for strong interactions with FABP4. These results might provide useful information for the development of novel potent FABP4 inhibitors. PMID:27096055

Aero/structural tailoring of engine blades (AERO/STAEBL)

NASA Technical Reports Server (NTRS)

Brown, K. W.

1988-01-01

This report describes the Aero/Structural Tailoring of Engine Blades (AERO/STAEBL) program, which is a computer code used to perform engine fan and compressor blade aero/structural numerical optimizations. These optimizations seek a blade design of minimum operating cost that satisfies realistic blade design constraints. This report documents the overall program (i.e., input, optimization procedures, approximate analyses) and also provides a detailed description of the validation test cases.

Shape control of large space structures

NASA Technical Reports Server (NTRS)

Hagan, M. T.

1982-01-01

A survey has been conducted to determine the types of control strategies which have been proposed for controlling the vibrations in large space structures. From this survey several representative control strategies were singled out for detailed analyses. The application of these strategies to a simplified model of a large space structure has been simulated. These simulations demonstrate the implementation of the control algorithms and provide a basis for a preliminary comparison of their suitability for large space structure control.

Detailed analysis and test correlation of a stiffened composite wing panel

NASA Technical Reports Server (NTRS)

Davis, D. Dale, Jr.

1991-01-01

Nonlinear finite element analysis techniques are evaluated by applying them to a realistic aircraft structural component. A wing panel from the V-22 tiltrotor aircraft is chosen because it is a typical modern aircraft structural component for which there is experimental data for comparison of results. From blueprints and drawings supplied by the Bell Helicopter Textron Corporation, a very detailed finite element model containing 2284 9-node Assumed Natural-Coordinate Strain (ANS) elements was generated. A novel solution strategy which accounts for geometric nonlinearity through the use of corotating element reference frames and nonlinear strain displacements relations is used to analyze this detailed model. Results from linear analyses using the same finite element model are presented in order to illustrate the advantages and costs of the nonlinear analysis as compared with the more traditional linear analysis. Strain predictions from both the linear and nonlinear stress analyses are shown to compare well with experimental data up through the Design Ultimate Load (DUL) of the panel. However, due to the extreme nonlinear response of the panel, the linear analysis was not accurate at loads above the DUL. The nonlinear analysis more accurately predicted the strain at high values of applied load, and even predicted complicated nonlinear response characteristics, such as load reversals, at the observed failure load of the test panel. In order to understand the failure mechanism of the panel, buckling and first ply failure analyses were performed. The buckling load was 17 percent above the observed failure load while first ply failure analyses indicated significant material damage at and below the observed failure load.

Design, analysis, and testing of a metal matrix composite web/flange intersection

NASA Technical Reports Server (NTRS)

Biggers, S. B.; Knight, N. F., Jr.; Moran, S. G.; Olliffe, R.

1992-01-01

An experimental and analytical program to study the local design details of a typical T-shaped web/flange intersection made from a metal matrix composite is described. Loads creating flange bending were applied to specimens having different designs and boundary conditions. Finite element analyses were conducted on models of the test specimens to predict the structural response. The analyses correctly predict failure load, mode, and location in the fillet material in the intersection region of the web and the flange when specimen quality is good. The test program shows the importance of fabrication quality in the intersection region. The full-scale test program that led to the investigation of this local detail is also described.

Capacities of template-type platforms in the Gulf of Mexico during hurricane Andrew

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

Bea, R.G.; Loch, K.J.; Young, P.L.

1997-02-01

This paper details results from nonlinear analyses of the ultimate limit state performance characteristics of four Gulf of Mexico (GOM) platforms subjected to intense loadings from hurricane Andrew. These four platforms were located to the east of the track of hurricane Andrew, and were thus in the most intense portion of the storm (Smith, 1993). The nonlinear analyses are able to replicate details of the observed behavior of the four structures. This replication is very dependent on realistic characterization of the performance characteristics of the pile foundations and on accurate information on the as is condition of the platforms beforemore » the storm.« less

Structural Tailoring of Advanced Turboprops (STAT)

NASA Technical Reports Server (NTRS)

Brown, Kenneth W.

1988-01-01

This interim report describes the progress achieved in the structural Tailoring of Advanced Turboprops (STAT) program which was developed to perform numerical optimizations on highly swept propfan blades. The optimization procedure seeks to minimize an objective function, defined as either direct operating cost or aeroelastic differences between a blade and its scaled model, by tuning internal and external geometry variables that must satisfy realistic blade design constraints. This report provides a detailed description of the input, optimization procedures, approximate analyses and refined analyses, as well as validation test cases for the STAT program. In addition, conclusions and recommendations are summarized.

Folding Properties of Two-Dimensional Deployable Membrane Using FEM Analyses

NASA Astrophysics Data System (ADS)

Satou, Yasutaka; Furuya, Hiroshi

Folding FEM analyses are presented to examine folding properties of a two-dimensional deployable membrane for a precise deployment simulation. A fold model of the membrane is proposed by dividing the wrapping fold process into two regions which are the folded state and the transient process. The cross-section of the folded state is assumed to be a repeating structure, and analytical procedures of the repeating structure are constructed. To investigate the mechanical properties of the crease in detail, the bending stiffness is considered in the FEM analyses. As the results of the FEM analyses, the configuration of the membrane and the contact force by the adjacent membrane are obtained quantitatively for an arbitrary layer pitch. Possible occurrence of the plastic deformation is estimated using the Mises stress in the crease. The FEM results are compared with one-dimensional approximation analyses to evaluate these results.

Advanced composite vertical stabilizer for DC-10 transport aircraft

NASA Technical Reports Server (NTRS)

Stephens, C. O.

1979-01-01

Structural design, tooling, fabrication, and test activities are reported for a program to develop an advanced composite vertical stabilizer (CVS) for the DC 10 Commercial Transport Aircraft. Structural design details are described and the status of structural and weight analyses are reported. A structural weight reduction of 21.7% is currently predicted. Test results are discussed for sine wave stiffened shear webs containing representative of the CVS spar webs and for lightning current transfer and tests on a panel representative of the CVS skins.

Aeroelastic Stability and Response of Rotating Structures

NASA Technical Reports Server (NTRS)

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

1998-01-01

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

Computational fluid dynamics analysis in support of the simplex turbopump design

NASA Technical Reports Server (NTRS)

Garcia, Roberto; Griffin, Lisa W.; Benjamin, Theodore G.; Cornelison, Joni W.; Ruf, Joseph H.; Williams, Robert W.

1994-01-01

Simplex is a turbopump that is being developed at NASA/Marshall Space Flight Center (MSFC) by an in-house team. The turbopump consists of a single-stage centrifugal impeller, vaned-diffuser pump powered by a single-stage, axial, supersonic, partial admission turbine. The turbine is driven by warm gaseous oxygen tapped off of the hybrid motor to which it will be coupled. Rolling element bearings are cooled by the pumping fluid. Details of the configuration and operating conditions are given by Marsh. CFD has been used extensively to verify one-dimensional (1D) predictions, assess aerodynamic and hydrodynamic designs, and to provide flow environments. The complete primary flow path of the pump-end and the hot gas path of the turbine, excluding the inlet torus, have been analyzed. All CFD analyses conducted for the Simplex turbopump employed the pressure based Finite Difference Navier-Stokes (FDNS) code using a standard kappa-epsilon turbulence model with wall functions. More detailed results are presented by Garcia et. al. To support the team, loading and temperature results for the turbine rotor were provided as inputs to structural and thermal analyses, and blade loadings from the inducer were provided for structural analyses.

Structure of the Upper Troposphere-Lower Stratosphere (UTLS) in GEOS-5

NASA Technical Reports Server (NTRS)

Pawson, Steven

2011-01-01

This study examines the structure of the upper troposphere and lower stratosphere in the GEOS-5 data assimilation system. Near-real time analyses, with a horizontal resolution of one-half or one quarter degree and a vertical resolution of about 1km in the tropopause region are examined with an emphasis on spatial structures at and around the tropopause. The contributions of in-situ observations of temperature and microwave and infrared radiances to the analyses are discussed, with some focus on the interplay between these types of observations. For a historical analysis (Merra) performed with GEOS-5, the impacts of changing observations on the assimilation system are examined in some detail - this documents some aspects of the time dependence of analysis that must be taken into account in the isolation of true geophysical trends. Finally, some sensitivities of the ozone analyses to input data and correlated errors between temperature and ozone are discussed.

Detailed Structural Analyses of KOH Activated Carbon from Waste Coffee Beans

NASA Astrophysics Data System (ADS)

Takahata, Tomokazu; Toda, Ikumi; Ono, Hiroki; Ohshio, Shigeo; Akasaka, Hiroki; Himeno, Syuji; Kokubu, Toshinori; Saitoh, Hidetoshi

2009-11-01

The relationship of the detailed structural change of KOH activated carbon and hydrogen storage ability was investigated in activated carbon materials fabricated from waste coffee beans. The specific surface area of porous carbon materials calculated from N2 adsorption isotherms stood at 2070 m2/g when the weight ratio of KOH to carbon materials was 5:1, and pore size was in the range of approximately 0.6 to 1.1 nm as micropores. In the structural analysis, X-ray diffraction analysis and Raman spectroscopy indicated structural change in these carbon materials through KOH activation. The order of the graphite structure changed to a smaller scale with this activation. It is theorized that specific surface area increased using micropores provided by carbon materials developed from the descent of the graphite structure. Hydrogen storage ability improved with these structural changes, and reached 0.6 wt % at 2070 m2/g. These results suggest that hydrogen storage ability is conferred by the chemical effect on graphite of carbon materials.

Steroidal saponins from fresh stems of Dracaena angustifolia

USDA-ARS?s Scientific Manuscript database

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

Cycle 0(CY1991) NLS trade studies and analyses report. Book 1: Structures and core vehicle

NASA Technical Reports Server (NTRS)

1992-01-01

This report (SR-1: Structures, Trades, and Analysis), documents the Core Tankage Trades and analyses performed in support of the National Launch System (NLS) Cycle 0 preliminary design activities. The report covers trades that were conducted on the Vehicle Assembly, Fwd Skirt, LO2 Tank, Intertank, LH2 Tank, and Aft Skirt of the NLS Core Tankage. For each trade study, a two page executive summary and the detail trade study are provided. The trade studies contain study results, recommended changes to the Cycle 0 Baselines, and suggested follow on tasks to be performed during Cycle 1.

The Consumer Motivation Scale: A detailed review of item generation, exploration, confirmation, and validation procedures.

PubMed

Barbopoulos, I; Johansson, L-O

2017-08-01

This data article offers a detailed description of analyses pertaining to the development of the Consumer Motivation Scale (CMS), from item generation and the extraction of factors, to confirmation of the factor structure and validation of the emergent dimensions. The established goal structure - consisting of the sub-goals Value for Money, Quality, Safety, Stimulation, Comfort, Ethics, and Social Acceptance - is shown to be related to a variety of consumption behaviors in different contexts and for different products, and should thereby prove useful in standard marketing research, as well as in the development of tailored marketing strategies, and the segmentation of consumer groups, settings, brands, and products.

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

NASA Technical Reports Server (NTRS)

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

1979-01-01

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

Arrow-wing supersonic cruise aircraft structural design concepts evaluation. Volume 4: Sections 15 through 21

NASA Technical Reports Server (NTRS)

Sakata, I. F.; Davis, G. W.

1975-01-01

The analyses performed to provide structural mass estimates for the arrow wing supersonic cruise aircraft are presented. To realize the full potential for structural mass reduction, a spectrum of approaches for the wing and fuselage primary structure design were investigated. The objective was: (1) to assess the relative merits of various structural arrangements, concepts, and materials; (2) to select the structural approach best suited for the Mach 2.7 environment; and (3) to provide construction details and structural mass estimates based on in-depth structural design studies. Production costs, propulsion-airframe integration, and advanced technology assessment are included.

Program for establishing long-time flight service performance of composite materials in the center wing structure of C-130 aircraft. Phase 4: Ground/flight acceptance tests

NASA Technical Reports Server (NTRS)

Harvill, W. E.; Kizer, J. A.

1976-01-01

The advantageous structural uses of advanced filamentary composites are demonstrated by design, fabrication, and test of three boron-epoxy reinforced C-130 center wing boxes. The advanced development work necessary to support detailed design of a composite reinforced C-130 center wing box was conducted. Activities included the development of a basis for structural design, selection and verification of materials and processes, manufacturing and tooling development, and fabrication and test of full-scale portions of the center wing box. Detailed design drawings, and necessary analytical structural substantiation including static strength, fatigue endurance, flutter, and weight analyses are considered. Some additional component testing was conducted to verify the design for panel buckling, and to evaluate specific local design areas. Development of the cool tool restraint concept was completed, and bonding capabilities were evaluated using full-length skin panel and stringer specimens.

Structural design considerations for a Personnel Launch System

NASA Technical Reports Server (NTRS)

Bush, Lance B.; Lentz, Christopher A.; Robinson, James C.; Macconochie, Ian O.

1990-01-01

A vehicle capable of performing the transfer of eight people to and from the Space Station Freedom is currently in the conceptual/preliminary design stages at the NASA Langley Research Center. Structural definition of this Personnel Launch System (PLS) and the considerations leading to it are described. Issues such as cost, technology level, human factors, and maintainability are used as guidelines for the structural definition. A synergistic design technique involving aerodynamics, performance, mission, packaging, and weights and sizing analyses is utilized to evaluate the structural design. A closed-loop design is achieved when the mission requirements are met by each previously mentioned analysis for a particular vehicle weight. Although satisfactory, the structural concept presented herein is not to be treated as a final answer, but one promising solution. An examination of alternative designs and more detailed analyses can be undertaken in order to identify design inadequacies and more efficient approaches.

Compilation and network analyses of cambrian food webs.

PubMed

Dunne, Jennifer A; Williams, Richard J; Martinez, Neo D; Wood, Rachel A; Erwin, Douglas H

2008-04-29

A rich body of empirically grounded theory has developed about food webs--the networks of feeding relationships among species within habitats. However, detailed food-web data and analyses are lacking for ancient ecosystems, largely because of the low resolution of taxa coupled with uncertain and incomplete information about feeding interactions. These impediments appear insurmountable for most fossil assemblages; however, a few assemblages with excellent soft-body preservation across trophic levels are candidates for food-web data compilation and topological analysis. Here we present plausible, detailed food webs for the Chengjiang and Burgess Shale assemblages from the Cambrian Period. Analyses of degree distributions and other structural network properties, including sensitivity analyses of the effects of uncertainty associated with Cambrian diet designations, suggest that these early Paleozoic communities share remarkably similar topology with modern food webs. Observed regularities reflect a systematic dependence of structure on the numbers of taxa and links in a web. Most aspects of Cambrian food-web structure are well-characterized by a simple "niche model," which was developed for modern food webs and takes into account this scale dependence. However, a few aspects of topology differ between the ancient and recent webs: longer path lengths between species and more species in feeding loops in the earlier Chengjiang web, and higher variability in the number of links per species for both Cambrian webs. Our results are relatively insensitive to the exclusion of low-certainty or random links. The many similarities between Cambrian and recent food webs point toward surprisingly strong and enduring constraints on the organization of complex feeding interactions among metazoan species. The few differences could reflect a transition to more strongly integrated and constrained trophic organization within ecosystems following the rapid diversification of species, body plans, and trophic roles during the Cambrian radiation. More research is needed to explore the generality of food-web structure through deep time and across habitats, especially to investigate potential mechanisms that could give rise to similar structure, as well as any differences.

Aeroelastic Stability & Response of Rotating Structures

NASA Technical Reports Server (NTRS)

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

2001-01-01

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

Advanced Metallic Thermal Protection System Development

NASA Technical Reports Server (NTRS)

Blosser, M. L.; Chen, R. R.; Schmidt, I. H.; Dorsey, J. T.; Poteet, C. C.; Bird, R. K.

2002-01-01

A new Adaptable, Robust, Metallic, Operable, Reusable (ARMOR) thermal protection system (TPS) concept has been designed, analyzed, and fabricated. In addition to the inherent tailorable robustness of metallic TPS, ARMOR TPS offers improved features based on lessons learned from previous metallic TPS development efforts. A specific location on a single-stage-to-orbit reusable launch vehicle was selected to develop loads and requirements needed to design prototype ARMOR TPS panels. The design loads include ascent and entry heating rate histories, pressures, acoustics, and accelerations. Additional TPS design issues were identified and discussed. An iterative sizing procedure was used to size the ARMOR TPS panels for thermal and structural loads as part of an integrated TPS/cryogenic tank structural wall. The TPS panels were sized to maintain acceptable temperatures on the underlying structure and to operate under the design structural loading. Detailed creep analyses were also performed on critical components of the ARMOR TPS panels. A lightweight, thermally compliant TPS support system (TPSS) was designed to connect the TPS to the cryogenic tank structure. Four 18-inch-square ARMOR TPS panels were fabricated. Details of the fabrication process are presented. Details of the TPSS for connecting the ARMOR TPS panels to the externally stiffened cryogenic tank structure are also described. Test plans for the fabricated hardware are presented.

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.

Structure of a Clostridium botulinum C143S thiaminase I/thiamin complex reveals active site architecture .

PubMed

Sikowitz, Megan D; Shome, Brateen; Zhang, Yang; Begley, Tadhg P; Ealick, Steven E

2013-11-05

Thiaminases are responsible for the degradation of thiamin and its metabolites. Two classes of thiaminases have been identified based on their three-dimensional structures and their requirements for a nucleophilic second substrate. Although the reactions of several thiaminases have been characterized, the physiological role of thiamin degradation is not fully understood. We have determined the three-dimensional X-ray structure of an inactive C143S mutant of Clostridium botulinum (Cb) thiaminase I with bound thiamin at 2.2 Å resolution. The C143S/thiamin complex provides atomic level details of the orientation of thiamin upon binding to Cb-thiaminase I and the identity of active site residues involved in substrate binding and catalysis. The specific roles of active site residues were probed by using site directed mutagenesis and kinetic analyses, leading to a detailed mechanism for Cb-thiaminase I. The structure of Cb-thiaminase I is also compared to the functionally similar but structurally distinct thiaminase II.

Reinforcement and validation of the analyses and conclusions related to fishway evaluation data from Bunt et al.: ‘Performance of fish passage structures at upstream barriers to migration’

USGS Publications Warehouse

Bunt, C.M.; Castro-Santos, Theodore R.; Haro, Alexander

2016-01-01

Detailed re-examination of the datasets that were used for a meta-analysis of fishway attraction and passage revealed a number of errors that we addressed and corrected. We subsequently re-analysed the revised dataset, and results showed no significant changes in the primary conclusions of the original study; for most species, effective performance cannot be assured for any fishway type.

Ostwald ripening of clays and metamorphic minerals

USGS Publications Warehouse

Eberl, D.D.; Srodon, J.; Kralik, M.; Taylor, B.E.; Peterman, Z.E.

1990-01-01

Analyses of particle size distributions indicate that clay minerals and other diagenetic and metamorphic minerals commonly undergo recrystallization by Ostwald ripening. The shapes of their particle size distributions can yield the rate law for this process. One consequence of Ostwald ripening is that a record of the recrystallization process is preserved in the various particle sizes. Therefore, one can determine the detailed geologic history of clays and other recrystallized minerals by separating, from a single sample, the various particle sizes for independent chemical, structural, and isotopic analyses.

Characterization of structures of the Nankai Trough accretionary prism from integrated analyses of LWD log response, resistivity images and clay mineralogy of cuttings: Expedition 338 Site C0002

NASA Astrophysics Data System (ADS)

Jurado, Maria Jose; Schleicher, Anja

2014-05-01

The objective of our research is a detailed characterization of structures on the basis of LWD oriented images and logs,and clay mineralogy of cuttings from Hole C0002F of the Nankai Trough accretionary prism. Our results show an integrated interpretation of structures derived from borehole images, petrophysical characterization on LWD logs and cuttings mineralogy. The geometry of the structure intersected at Hole C0002F has been characterized by the interpretation of oriented borehole resistivity images acquired during IODP Expedition 338. The characterization of structural features, faults and fracture zones is based on a detailed post-cruise interpretation of bedding and fractures on borehole images and also on the analysis of Logging While Drilling (LWD) log response (gamma radioactivity, resistivity and sonic logs). The interpretation and complete characterization of structures (fractures, fracture zones, fault zones, folds) was achieved after detailed shorebased reprocessing of resistivity images, which allowed to enhance bedding and fracture's imaging for geometry and orientation interpretation. In order to characterize distinctive petrophysical properties based on LWD log response, it could be compared with compositional changes derived from cuttings analyses. Cuttings analyses were used to calibrate and to characterize log response and to verify interpretations in terms of changes in composition and texture at fractures and fault zones defined on borehole images. Cuttings were taken routinely every 5 m during Expedition 338, indicating a clay-dominated lithology of silty claystone with interbeds of weakly consolidated, fine sandstones. The main mineralogical components are clay minerals, quartz, feldspar and calcite. Selected cuttings were taken from areas of interest as defined on LWD logs and images. The clay mineralogy was investigated on the <2 micron clay-size fraction, with special focus on smectite and illite minerals. Based on X-ray diffraction analysis measured at room temperature and a relative humidity of ~30%, we compared the shape and size of illite and smectite, as well as their water content and their polytypes. The comparison of cuttings mineralogy with logging while drilling (LWD) data allowed us to characterize structural, petrophysical and mineralogical properties at fracture and fault zones. We also analyzed the relationship between deformation structures and compositional and mineralogical changes. We established a correlation between observed results on clay mineralogy and log responses in relation with the structures and trends characterized on logging data. In general, the log data provide a good correlation with the actual mineralogy and the relative abundance of clay. In particular we analyzed trends characterized by smectite water layers as indication of compaction. These trends were correlated with log response (on sonic velocity) within Unit IV. Our results show the integration of logging data and cutting sample analyses as a valuable tool for characterization of petrophysical and mineralogical changes of the structures of the Nankai accretionary prism.

On the question of fractal packing structure in metallic glasses

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

Ding, Jun; Asta, Mark; Ritchie, Robert O.

2017-07-25

This work addresses the long-standing debate over fractal models of packing structure in metallic glasses (MGs). Through detailed fractal and percolation analyses of MG structures, derived from simulations spanning a range of compositions and quenching rates, we conclude that there is no fractal atomic-level structure associated with the packing of all atoms or solute-centered clusters. The results are in contradiction with conclusions derived from previous studies based on analyses of shifts in radial distribution function and structure factor peaks associated with volume changes induced by pressure and compositional variations. Here in this paper, the interpretation of such shifts is shownmore » to be challenged by the heterogeneous nature of MG structure and deformation at the atomic scale. Moreover, our analysis in the present work illustrates clearly the percolation theory applied to MGs, for example, the percolation threshold and characteristics of percolation clusters formed by subsets of atoms, which can have important consequences for structure–property relationships in these amorphous materials.« less

Spatial-structural analysis of leafless woody riparian vegetation for hydraulic considerations

NASA Astrophysics Data System (ADS)

Weissteiner, Clemens; Jalonen, Johanna; Järvelä, Juha; Rauch, Hans Peter

2013-04-01

Woody riparian vegetation is a vital element of riverine environments. On one hand woody riparian vegetation has to be taken into account from a civil engineering point of view due to boundary shear stress and vegetation drag. On the other hand it has to be considered from a river ecological point of view due to shadowing effects and as a source of organic material for aquatic habitats. In hydrodynamic and hydro-ecological studies the effects of woody riparian vegetation on flow patterns are usually investigated on a very detailed level. On the contrary vegetation elements and their spatial patterns are generally analysed and discussed on the basis of an integral approach measuring for example basal diameters, heights and projected plant areas. For a better understanding of the influence of woody riparian vegetation on turbulent flow and on river ecology, it is essential to record and analyse plant data sets on the same level of quality as for hydrodynamic or hydro-ecologic purposes. As a result of the same scale of the analysis it is possible to incorporate riparian vegetation as a sub-model in the hydraulic analysis. For plant structural components, such as branches on different topological levels it is crucial to record plant geometrical parameters describing the habitus of the plant on branch level. An exact 3D geometrical model of real plants allows for an extraction of various spatial-structural plant parameters. In addition, allometric relationships help to summarize and describe plant traits of riparian vegetation. This paper focuses on the spatial-structural composition of leafless riparia woddy vegetation. Structural and spatial analyses determine detailed geometric properties of the structural components of the plants. Geometrical and topological parameters were recorded with an electro-magnetic scanning device. In total, 23 plants (willows, alders and birches) were analysed in the study. Data were recorded on branch level, which allowed for the development of a 3D geometric plant model. The results are expected to improve knowledge on how the architectural system and allometric relationships of the plants relate to ecological and hydrodynamic properties.

Moving into Management: How 360[degrees] Appraisal Worked for Me

ERIC Educational Resources Information Center

Scott, Heather

2004-01-01

Being interested in how being led and leading others was working in practice, the author undertook an evaluation of different leadership styles (including his) and their effectiveness in the context of the school. The author detailed the management structure of the school, recorded and analysed the different leadership styles in the light of…

Similarities and Differences between Phrase Structure and Morphosyntactic Violations in Spanish: An Event-Related Potentials Study.

ERIC Educational Resources Information Center

Hinojosa, Jose A.; Martin-Loeches, Manuel; Casado, Pilar; Munoz, Francisco; Rubia, Francisco J.

2003-01-01

Event-related potentials (EPRs) were employed to compare word category and verb inflection violations in Spanish. A similar frontal negativity was found between 250-400 ms for both violation types, suggesting that they equally disrupt initial syntactic analyses. These and other findings are discussed in detail. (VWL)

Human Resource Strategic Management in NPOs: An Explorative Study on Managers' Psychosocial Training

ERIC Educational Resources Information Center

Benevene, Paula; Cortini, Michela

2010-01-01

Purpose: This explorative research aims at examining the social representation of psychosocial training in NPOs managers. Design/methodology/approach: An adopted multiple research approach was adopted to analyse a corpus of qualitative data. A detailed semi-structured interview was administered to 122 senior managers of as many Italian NPOs.…

Structural dynamic analysis of the Space Shuttle Main Engine

NASA Technical Reports Server (NTRS)

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

1981-01-01

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

Nonstationary envelope process and first excursion probability

NASA Technical Reports Server (NTRS)

Yang, J.

1972-01-01

A definition of the envelope of nonstationary random processes is proposed. The establishment of the envelope definition makes it possible to simulate the nonstationary random envelope directly. Envelope statistics, such as the density function, joint density function, moment function, and level crossing rate, which are relevent to analyses of catastrophic failure, fatigue, and crack propagation in structures, are derived. Applications of the envelope statistics to the prediction of structural reliability under random loadings are discussed in detail.

The forced vibration of one-dimensional multi-coupled periodic structures: An application to finite element analysis

NASA Astrophysics Data System (ADS)

Mead, Denys J.

2009-01-01

A general theory for the forced vibration of multi-coupled one-dimensional periodic structures is presented as a sequel to a much earlier general theory for free vibration. Starting from the dynamic stiffness matrix of a single multi-coupled periodic element, it derives matrix equations for the magnitudes of the characteristic free waves excited in the whole structure by prescribed harmonic forces and/or displacements acting at a single periodic junction. The semi-infinite periodic system excited at its end is first analysed to provide the basis for analysing doubly infinite and finite periodic systems. In each case, total responses are found by considering just one periodic element. An already-known method of reducing the size of the computational problem is reexamined, expanded and extended in detail, involving reduction of the dynamic stiffness matrix of the periodic element through a wave-coordinate transformation. Use of the theory is illustrated in a combined periodic structure+finite element analysis of the forced harmonic in-plane motion of a uniform flat plate. Excellent agreement between the computed low-frequency responses and those predicted by simple engineering theories validates the detailed formulations of the paper. The primary purpose of the paper is not towards a specific application but to present a systematic and coherent forced vibration theory, carefully linked with the existing free-wave theory.

Collagenolytic Matrix Metalloproteinase Structure-Function Relationships: Insights From Molecular Dynamics Studies.

PubMed

Karabencheva-Christova, Tatyana G; Christov, Christo Z; Fields, Gregg B

2017-01-01

Several members of the zinc-dependent matrix metalloproteinase (MMP) family catalyze collagen degradation. Experimental data reveal a collaboration between different MMP domains in order to achieve efficient collagenolysis. Molecular dynamics (MD) simulations have been utilized to provide atomistic details of the collagenolytic process. The triple-helical structure of collagen exhibits local regions of flexibility, with modulation of interchain salt bridges and water bridges contributing to accessibility of individual chains by the enzyme. In turn, the hemopexin-like (HPX) domain of the MMP initially binds the triple helix and facilitates the presentation of individual strands to active site in the catalytic (CAT) domain. Extensive positive and negative correlated motions are observed between the CAT and HPX domains when collagen is bound. Ultimately, the MD simulation studies have complemented structural (NMR spectroscopy, X-ray crystallography) and kinetic analyses to provide a more detailed mechanistic view of MMP-catalyzed collagenolysis. © 2017 Elsevier Inc. All rights reserved.

Computerized structural mechanics for 1990's: Advanced aircraft needs

NASA Technical Reports Server (NTRS)

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

1989-01-01

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

3D quantitative comparative analysis of long bone diaphysis variations in microanatomy and cross-sectional geometry.

PubMed

Houssaye, Alexandra; Taverne, Maxime; Cornette, Raphaël

2018-05-01

Long bone inner structure and cross-sectional geometry display a strong functional signal, leading to convergences, and are widely analyzed in comparative anatomy at small and large taxonomic scales. Long bone microanatomical studies have essentially been conducted on transverse sections but also on a few longitudinal ones. Recent studies highlighted the interest in analyzing variations of the inner structure along the diaphysis using a qualitative as well as a quantitative approach. With the development of microtomography, it has become possible to study three-dimensional (3D) bone microanatomy and, in more detail, the form-function relationships of these features. This study focused on the selection of quantitative parameters to describe in detail the cross-sectional shape changes and distribution of the osseous tissue along the diaphysis. Two-dimensional (2D) virtual transverse sections were also performed in the two usual reference planes and results were compared with those obtained based on the whole diaphysis analysis. The sample consisted in 14 humeri and 14 femora of various mammalian taxa that are essentially terrestrial. Comparative quantitative analyses between different datasets made it possible to highlight the parameters that are strongly impacted by size and phylogeny and the redundant ones, and thus to estimate their relevance for use in form-function analyses. The analysis illustrated that results based on 2D transverse sections are similar for both sectional planes; thus if a strong bias exists when mixing sections from the two reference planes in the same analysis, it would not problematic to use either one plane or the other in comparative studies. However, this may no longer hold for taxa showing a much stronger variation in bone microstructure along the diaphysis. Finally, the analysis demonstrated the significant contribution of the parameters describing variations along the diaphysis, and thus the interest in performing 3D analyses; this should be even more fruitful for heterogeneous diaphyses. In addition, covariation analyses showed that there is a strong interest in removing the size effect to access the differences in the microstructure of the humerus and femur. This methodological study provides a reference for future quantitative analyses on long bone inner structure and should make it possible, through a detailed knowledge of each descriptive parameter, to better interpret results from the multivariate analyses associated with these studies. This will have direct implications for studies in vertebrate anatomy, but also in paleontology and anthropology. © 2018 Anatomical Society.

Applied Integrated Design in Composite UAV Development

NASA Astrophysics Data System (ADS)

Vasić, Zoran; Maksimović, Stevan; Georgijević, Dragutin

2018-04-01

This paper presents a modern approach to integrated development of Unmanned Aerial Vehicle made of laminated composite materials from conceptual design, through detail design, strength and stiffness analyses, definition and management of design and production data, detailed tests results and other activities related to development of laminated composite structures with main of its particularities in comparison to metal structures. Special attention in this work is focused to management processes of product data during life cycle of an UAV and experimental tests of its composite wing. Experience shows that the automation management processes of product data during life cycle, as well as processes of manufacturing, are inevitable if a company wants to get cheaper and quality composite aircraft structures. One of the most effective ways of successful management of product data today is Product Life cycle Management (PLM). In terms of the PLM, a spectrum of special measures and provisions has to be implemented when defining fiber-reinforced composite material structures in comparison to designing with metals which is elaborated in the paper.

Thermal design of composite materials high temperature attachments

NASA Technical Reports Server (NTRS)

1972-01-01

The thermal aspects of using filamentary composite materials as primary airframe structures on advanced atmospheric entry spacecraft such as the space shuttle vehicle were investigated to identify and evaluate potential design approaches for maintaining composite structures within allowable temperature limits at thermal protection system (TPS) attachments and/or penetrations. The investigation included: (1) definition of thermophysical data for composite material structures; (2) parametric characterization and identification of the influence of the aerodynamic heating and attachment design parameters on composite material temperatures; (3) conceptual design, evaluation, and detailed thermal analyses of temperature limiting design concepts; and (4) the development of experimental data for assessment of the thermal design methodologies and data used for evaluation of the temperature-limiting design concepts. Temperature suppression attachment concepts were examined for relative merit. The simple isolator was identified as the most weight-effective concept and was selected for detail design, thermal analysis, and testing. Tests were performed on TPS standoff attachments to boron/aluminum, boron/polyimide and graphite/epoxy composite structures.

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

Palmer, Michael H., E-mail: m.h.palmer@ed.ac.uk; Ridley, Trevor, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu; Hoffmann, Søren Vrønning, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu

New photoelectron, ultraviolet (UV), and vacuum UV (VUV) spectra have been obtained for bromobenzene by synchrotron study with higher sensitivity and resolution than previous work. This, together with use of ab initio calculations with both configuration interaction and time dependent density functional theoretical methods, has led to major advances in interpretation. The VUV spectrum has led to identification of a considerable number of Rydberg states for the first time. The Franck-Condon (FC) analyses including both hot and cold bands lead to identification of the vibrational structure of both ionic and electronically excited states including two Rydberg states. The UV onsetmore » has been interpreted in some detail, and an interpretation based on the superposition of FC and Herzberg-Teller contributions has been performed. In a similar way, the 6 eV absorption band which is poorly resolved is analysed in terms of the presence of two ππ* states of {sup 1}A{sub 1} (higher oscillator strength) and {sup 1}B{sub 2} (lower oscillator strength) symmetries, respectively. The detailed analysis of the vibrational structure of the 2{sup 2}B{sub 1} ionic state is particularly challenging, and the best interpretation is based on equation-of-motion-coupled cluster with singles and doubles computations. A number of equilibrium structures of the ionic and singlet excited states show that the molecular structure is less subject to variation than corresponding studies for iodobenzene. The equilibrium structures of the 3b{sub 1}3s and 6b{sub 2}3s (valence shell numbering) Rydberg states have been obtained and compared with the corresponding ionic limit structures.« less

In the Image of Confucius: The Education and Preparation of Teachers in Taiwan.

ERIC Educational Resources Information Center

Smith, Douglas C.

This book reviews both preservice and inservice teacher education in the Republic of China and provides detailed analyses. In the first chapter, an overview of the educational system's structure in modern Taiwan and the United States is presented and comparisons drawn. Features of Chinese educational and intellectual thought and philosophy are…

The Effect of Process Writing Activities on the Writing Skills of Prospective Turkish Teachers

ERIC Educational Resources Information Center

Dilidüzgün, Sükran

2013-01-01

Problem statement: Writing an essay is a most difficult creative work and consequently requires detailed instruction. There are in fact two types of instruction that contribute to the development of writing skills: Reading activities analysing texts in content and schematic structure to find out how they are composed and process writing…

Anticipating College Enrollment: Adapting "SuccessNavigator"® for High School Students. Research Report. ETS RR-15-37

ERIC Educational Resources Information Center

Rikoon, Samuel H.; Liebtag, Travis; Olivera-Aguilar, Margarita; Steinberg, Jonathan; Robbins, Steven B.

2015-01-01

In this report, we describe the development of an extension of the "SuccessNavigator"® assessment for late high school settings. We discuss the assessment's conceptualization and support its application with psychometric studies detailing scale development in terms of structural analyses, reliability, and several other aspects of…

A Skeleton Tells Its Own Story: Forensic Analyses of Skeletal Elements for the Science Classroom Laboratory

ERIC Educational Resources Information Center

Naples, Virginia L.; Breed, David; Miller, Jon S.

2010-01-01

The techniques of forensic anthropology and pathology can provide new information to increase student interest in studying the structural details of the human skeleton. We present a simplified methodology for assessing skeletal ethnicity, sex, age, and stature. An inexpensive method has been devised for constructing an osteometric board to allow…

Global and Local Stress Analyses of McDonnell Douglas Stitched/RFI Composite Wing Stub Box

NASA Technical Reports Server (NTRS)

Wang, John T.

1996-01-01

This report contains results of structural analyses performed in support of the NASA structural testing of an all-composite stitched/RFI (resin film infusion) wing stub box. McDonnell Douglas Aerospace Company designed and fabricated the wing stub box. The analyses used a global/local approach. The global model contains the entire test article. It includes the all-composite stub box, a metallic load-transition box and a metallic wing-tip extension box. The two metallic boxes are connected to the inboard and outboard ends of the composite wing stub box, respectively. The load-transition box was attached to a steel and concrete vertical reaction structure and a load was applied at the tip of the extension box to bend the wing stub box upward. The local model contains an upper cover region surrounding three stringer runouts. In that region, a large nonlinear deformation was identified by the global analyses. A more detailed mesh was used for the local model to obtain more accurate analysis results near stringer runouts. Numerous analysis results such as deformed shapes, displacements at selected locations, and strains at critical locations are included in this report.

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

NASA Technical Reports Server (NTRS)

Hur, Jiyoung

2014-01-01

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

Interpretive geologic bedrock map of the Tanana B-1 Quadrangle, Central Alaska

USGS Publications Warehouse

Reifenstuh, Rocky R.; Dover, James H.; Newberry, Rainer J.; Calutice, Karen H.; Liss, Shirley A.; Blodgett, Robert B.; Budtzen, Thomas K.; Weber, Florence R.

1997-01-01

This report provides detailed (1:63,360-scale) mapping of the Tanana B-1 Quadrangle (250 square miles; equivalent to four 7.5 minute quadrangles). The area is part of the Manley Hot Springs-Tofty mining districts and adjacent to the Rampart mining district to the north of the Tanana A-1 and A-2 Quadrangles. This report includes detailed bedrock, structural, stratigraphic, and geochronologic data. Based on the resulting geologic maps, field investigations, and laboratory materials analyses, the project has also generated derivative maps of geologic construction materials and geologic hazards.

Fatigue and fail-safe design features of the DC-10 airplane

NASA Technical Reports Server (NTRS)

Stone, M. E.

1972-01-01

The philosophy and methods used in the design of the DC-10 aircraft to assure structural reliability against cracks under repeated service loads are described in detail. The approach consists of three complementary parts: (1) the structure is designed to be fatigue resistant for a crack-free life of 60,000 flight hours; (2) inasmuch as small undetected cracks could develop from other sources, such as material flaws and manufacturing preloads, the structure also is designed to arrest and control cracks within a reasonable service-inspection interval; and (3) a meaningful service-inspection program has been defined on the basis of analysis and test experience from the design development program. This service-inspection program closes the loop to assure the structural integrity of the DC-10 airframe. Selected materials, fasteners, and structural arrangements are used to achieve these design features with minimum structural weight and with economy in manufacturing and maintenance. Extensive analyses and testing were performed to develop and verify the design. The basic design considerations for fatigue-resistant structure are illustrated in terms of material selection, design loads spectra, methods for accurate stress and fatigue damage analysis, and proven concepts for efficient detail design.

Sharp Refractory Composite Leading Edges on Hypersonic Vehicles

NASA Technical Reports Server (NTRS)

Walker, Sandra P.; Sullivan, Brian J.

2003-01-01

On-going research of advanced sharp refractory composite leading edges for use on hypersonic air-breathing vehicles is presented in this paper. Intense magnitudes of heating and of heating gradients on the leading edge lead to thermal stresses that challenge the survivability of current material systems. A fundamental understanding of the problem is needed to further design development. Methodology for furthering the technology along with the use of advanced fiber architectures to improve the thermal-structural response is explored in the current work. Thermal and structural finite element analyses are conducted for several advanced fiber architectures of interest. A tailored thermal shock parameter for sharp orthotropic leading edges is identified for evaluating composite material systems. The use of the tailored thermal shock parameter has the potential to eliminate the need for detailed thermal-structural finite element analyses for initial screening of material systems being considered for a leading edge component.

Analysis of the Effects of Sea Disposal on a One-Ton Container

NASA Technical Reports Server (NTRS)

Jackson, Wde C.; Jackson, Karen E.; Fasanella, Edwin L.; Kelley, John

2007-01-01

Excess and obsolete stocks of chemical warfare material (CWM) were sea disposed by the United States between 1919 and 1970. One-ton containers were used for bulk storage of CWM and were the largest containers sea disposed. Disposal depths ranged from 300 to 17,000 feet. Based on a Type D container assembly drawing, three independent analyses (one corrosion and two structural) were performed on the containers to address the corrosion resistance from prolonged exposure to sea water and the structural response during the descent. Corrosion predictions were made using information about corrosion rates and the disposal environment. The structural analyses employed two different finite element codes and were used to predict the buckling and material response of the container during sea disposal. The results of these investigations are summarized below. Detailed reports on each study are contained in the appendices.

A detailed mechanistic fragmentation analysis of methamphetamine and select regioisomers by GC/MS.

PubMed

Sachs, Sandra B; Woo, Francis

2007-03-01

A novel ring-substituted methamphetamine regioisomer, N,alpha,4-trimethyl phenmethylamine, was synthesized in order to study the validity of proposed structures for various mass spectrometry (MS)-derived peaks in a methamphetamine fragmentation pattern. While other research efforts have studied aspects of methamphetamine in detail, a full fragmentation study has not been reported previously. In addition to showing molecular structures represented by fragment peaks, mechanisms for selected processes are detailed. An empirically derived procedure to easily determine by simple spectral peak pattern recognition the geometry of dimethyl- or ethyl-substituted immonium ions (RRC = N+ RR) where m/z = 58 is outlined. These results are platform independent for electron ionization (EI) instruments, but have also proven to be helpful in explaining spectral peaks observed in spectra from ion trap systems. The spectrum for the synthesized methamphetamine regioisomer was accurately predicted using this methodology. While this approach is useful in some casework, the converse may be more useful: when an unexpected or unusual peak pattern arises in a spectrum, being able to analyze it to determine the structure of the molecule. This paper gives an analyst the means to begin such retro-synthetic analyses.

The role of CSP in the electricity system of South Africa - technical operation, grid constraints, market structure and economics

NASA Astrophysics Data System (ADS)

Kost, Christoph; Friebertshäuser, Chris; Hartmann, Niklas; Fluri, Thomas; Nitz, Peter

2017-06-01

This paper analyses the role of solar technologies (CSP and PV) and their interaction in the South African electricity system by using a fundamental electricity system modelling (ENTIGRIS-SouthAfrica). The model is used to analyse the South African long-term electricity generation portfolio mix, optimized site selection and required transmission capacities until the year 2050. Hereby especially the location and grid integration of solar technology (PV and CSP) and wind power plants is analysed. This analysis is carried out by using detailed resource assessment of both technologies. A cluster approach is presented to reduce complexity by integrating the data in an optimization model.

Structural pierce into molecular mechanism underlying Clostridium perfringens Epsilon toxin function.

PubMed

Khalili, Saeed; Jahangiri, Abolfazl; Hashemi, Zahra Sadat; Khalesi, Bahman; Mard-Soltani, Maysam; Amani, Jafar

2017-03-01

Epsilon toxin of the Clostridium perfringens garnered a lot of attention due to its potential for toxicity in humans, extreme potency for cytotoxicity in mice and lack of any approved therapeutics prescribed for human. However, the intricacies of the Epsilon toxin action mechanism are yet to be understood. In this regard, various in silico tools have been exploited to model and refine the 3D structure of the toxin and its two receptors. The receptor proteins were embedded into designed lipid membranes within an aqueous and ionized environment. Thereafter, the modeled structures subjected to series of consecutive molecular dynamics runs to achieve the most natural like coordination for each model. Ultimately, protein-protein interaction analyses were performed to understand the probable action mechanism. The obtained results successfully confirmed the accuracy of employed methods to achieve high quality models for the toxin and its receptors within their lipid bilayers. Molecular dynamics analyses lead the structures to a more native like coordination. Moreover, the results of previous empirical studies were confirmed, while new insights for action mechanisms including the detailed roles of Hepatitis A virus cellular receptor 1 (HAVCR1) and Myelin and lymphocyte protein (MAL) proteins were achieved. In light of previous and our observations, we suggested novel models which elucidated the existing interplay between potential players of Epsilon toxin action mechanism with detailed structural evidences. These models would pave the way to have more robust understanding of the Epsilon toxin biology, more precise vaccine construction and more successful drug (inhibitor) design. Copyright © 2017 Elsevier Ltd. All rights reserved.

Imaging the Alpine Fault: preliminary results from a detailed 3D-VSP experiment at the DFDP-2 drill site in Whataroa, New Zealand

NASA Astrophysics Data System (ADS)

Lay, Vera; Bodenburg, Sascha; Buske, Stefan; Townend, John; Kellett, Richard; Savage, Martha; Schmitt, Douglas; Constantinou, Alexis; Eccles, Jennifer; Lawton, Donald; Hall, Kevin; Bertram, Malcolm; Gorman, Andrew

2017-04-01

The plate-bounding Alpine Fault in New Zealand is an 850 km long transpressive continental fault zone that is late in its earthquake cycle. The Deep Fault Drilling Project (DFDP) aims to deliver insight into the geological structure of this fault zone and its evolution by drilling and sampling the Alpine Fault at depth. Previously analysed 2D reflection seismic data image the main Alpine Fault reflector at a depth of 1.5-2.2 km with a dip of approximately 48° to the southeast below the DFDP-2 borehole. Additionally, there are indications of a more complex 3D fault structure with several fault branches which have not yet been clearly imaged in detail. For that reason we acquired a 3D-VSP seismic data set at the DFDP-2 drill site in January 2016. A zero-offset VSP and a walk-away VSP survey were conducted using a Vibroseis source. Within the borehole, a permanently installed "Distributed Acoustic Fibre Optic Cable" (down to 893 m) and a 3C Sercel slimwave tool (down to 400 m) were used to record the seismic wavefield. In addition, an array of 160 three-component receivers with a spacing of 10 m perpendicular and 20 m parallel to the main strike of the Alpine Fault was set up and moved successively along the valley to record reflections from the main Alpine Fault zone over a broad depth range and to derive a detailed 3D tomographic velocity model in the hanging wall. We will show a detailed 3D velocity model derived from first-arrival traveltime tomography. Subsets of the whole data set were analysed separately to estimate the corresponding ray coverage and the reliability of the observed features in the obtained velocity model. By testing various inversion parameters and starting models, we derived a detailed near-surface velocity model that reveals the significance of the old glacial valley structures. Hence, this new 3D model improves the velocity model derived previously from a 2D seismic profile line in that area. Furthermore, processing of the dense 3C data shows clear reflections on both inline and crossline profiles. Correlating single reflection events enables us to identify the origin of reflections recorded in the data and reveal their 3D character. This array data gives strong evidence for reflections coming from the side, possibly from the steeply dipping valley flanks. Finally, the data will be processed using advanced seismic imaging methods to derive a detailed structural image of the valley and the fault zone at depth. Thus, the results will provide a detailed basis for a seismic site characterization at the DFDP-2 drill site, that will be of crucial importance for further structural and geological investigations of the architecture of the Alpine Fault in this area.

"I Was Going around with This Mist in Front of My Eyes": Poetic Representation of the Experience of Addiction and Recovery

ERIC Educational Resources Information Center

Shinebourne, Pnina

2012-01-01

This paper evolved from previous research on women's experience of addiction and recovery. The original study was based on detailed semi-structured interviews analysed using interpretative phenomenological analysis (IPA). In this study a poetic representation of material from participants' accounts was created to explore how a focus on the poetic…

An Assessment of the State-of-the-Art in Multidisciplinary Aeromechanical Analyses

DTIC Science & Technology

2008-01-01

monolithic formulations. In summary, for aerospace structures, partitioned formulations provide fundamental advantages over fully coupled ones, in addition...important frequencies of local analysis directly to global analysis using detailed modeling. Performed ju- diciously, based on a fundamental understanding of...in 2000 has com- prehensively described the problem, and reviewed the status of fundamental understanding, experimental data, and analytical

N-(3-aminopropyl)subergorgamide, a new alkaloid from the gorgonian Paraplexaura sp.

PubMed

Liu, Fen; Li, Shuo; Ju, Zhi-Ran; Liu, Ting-Ting; Liang, Rui-Yu; Liao, Xiao-Jian; Xu, Shi-Hai

2015-01-01

A new alkaloid named N-(3-aminopropyl)subergorgamide (1), along with nine known nitrogen-containing compounds (2-10), was isolated from the organic extract of gorgonian Paraplexaura sp. collected from Zhanjiang in Naozhou Island, South China Sea. Their structures were established by detailed MS and NMR spectroscopic analyses, as well as by comparison with literature data.

[Diagnostic possibilities of digital volume tomography].

PubMed

Lemkamp, Michael; Filippi, Andreas; Berndt, Dorothea; Lambrecht, J Thomas

2006-01-01

Cone beam computed tomography allows high quality 3D images of cranio-facial structures. Although detail resolution is increased, x-ray exposition is reduced compared to classic computer tomography. The volume is analysed in three orthogonal plains, which can be rotated independently without quality loss. Cone beam computed tomography seems to be a less expensive and less x-ray exposing alternative to classic computer tomography.

Plasmaspheric Plumes Observed by the CLUSTER and IMAGE Spacecraft

NASA Technical Reports Server (NTRS)

Fung, S. F.; Benson, R. F.; Garcia, L. N.; Adrian, M. L.; Sandel, B.; Goldstein, M. L.

2008-01-01

Global IMAGE/EUV observations have revealed complex changes in plasmaspheric structures as the plasmasphere responds to geomagnetic activity while remaining under varying degrees of influence by co-rotation, depending on the radial distance. The complex plasmaspheric dynamics, with different scales of variability, is clearly far from being well understood. There is now renewed interest in the plasmasphere due to its apparent connections with the development of the ring current and radiation belt, and loss of ionospheric plasmas. Early in the mission, the Cluster spacecraft only crossed the plasmapause (L - 4) occasionally and made measurements of the outer plasmasphere and plasmaspheric drainage plumes. The study by Darrouzet et al. [2006] provided detailed analyses of in situ Cluster observations and IMAGE EUV observations of three plasmaspheric plumes detected in April-June, 2002. Within the next couple of years, Cluster orbit will change, causing perigee to migrate to lower altitudes, and thus providing excellent opportunities to obtain more detailed measurements of the plasmasphere. In this paper, we report our analyses of the earlier Cluster-IMAGE events by incorporating the different perspectives provided by the IMAGE Radio Plasma Imager (RPI) observations. We will discuss our new understanding of the structure and dynamics of the Cluster-IMAGE events.

NSTX Disruption Simulations of Detailed Divertor and Passive Plate Models by Vector Potential Transfer from OPERA Global Analysis Results

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

P. H. Titus, S. Avasaralla, A.Brooks, R. Hatcher

2010-09-22

The National Spherical Torus Experiment (NSTX) project is planning upgrades to the toroidal field, plasma current and pulse length. This involves the replacement of the center-stack, including the inner legs of the TF, OH, and inner PF coils. A second neutral beam will also be added. The increased performance of the upgrade requires qualification of the remaining components including the vessel, passive plates, and divertor for higher disruption loads. The hardware needing qualification is more complex than is typically accessible by large scale electromagnetic (EM) simulations of the plasma disruptions. The usual method is to include simplified representations of componentsmore » in the large EM models and attempt to extract forces to apply to more detailed models. This paper describes a more efficient approach of combining comprehensive modeling of the plasma and tokamak conducting structures, using the 2D OPERA code, with much more detailed treatment of individual components using ANSYS electromagnetic (EM) and mechanical analysis. This capture local eddy currents and resulting loads in complex details, and allows efficient non-linear, and dynamic structural analyses.« less

Evaluation of normal findings using a detailed and focused technique for transcutaneous abdominal ultrasonography in the horse

PubMed Central

2014-01-01

Background Ultrasonography is an important diagnostic tool in the investigation of abdominal disease in the horse. Several factors may affect the ability to image different structures within the abdomen. The aim of the study was to describe the repeatability of identification of abdominal structures in normal horses using a detailed ultrasonographic examination technique and using a focused, limited preparation technique. Methods A detailed abdominal ultrasound examination was performed in five normal horses, repeated on five occasions (total of 25 examinations). The abdomen was divided into ten different imaging sites, and structures identified in each site were recorded. Five imaging sites were then selected for a single focused ultrasound examination in 20 normal horses. Limited patient preparation was performed. Structures were recorded as ‘identified’ if ultrasonographic features could be distinguished. The location of organs and their frequency of identification were recorded. Data from both phases were analysed to determine repeatability of identification of structures in each examination (irrespective of imaging site), and for each imaging site. Results Caecum, colon, spleen, liver and right kidney were repeatably identified using the detailed technique, and had defined locations. Large colon and right kidney were identified in 100% of examinations with both techniques. Liver, spleen, caecum, duodenum and other small intestine were identified more frequently with the detailed examination. Small intestine was most frequently identified in the ventral abdomen, its identification varied markedly within and between horses, and required repeated examinations in some horses. Left kidney could not be identified in every horse using either technique. Sacculated colon was identified in all ventral sites, and was infrequently identified in dorsal sites. Conclusions Caecum, sacculated large intestine, spleen, liver and right kidney were consistently identified with both techniques. There were some normal variations which should be considered when interpreting ultrasonographic findings in clinical cases: left kidney was not always identified, sacculated colon was occasionally identified in dorsal flank sites. Multiple imaging sites and repeated examinations may be required to identify small intestine. A focused examination identified most key structures, but has some limitations compared to a detailed examination. PMID:25238559

Lipid and glycolipid isomer analyses using ultra-high resolution ion mobility spectrometry separations

DOE PAGES

Wojcik, Roza; Webb, Ian K.; Deng, Liulin; ...

2017-01-18

Understanding the biological mechanisms related to lipids and glycolipids is challenging due to the vast number of possible isomers. Mass spectrometry (MS) measurements are currently the dominant approach for studying and providing detailed information on lipid and glycolipid structures. However, difficulties in distinguishing many structural isomers (e.g. distinct acyl chain positions, double bond locations, as well as glycan isomers) inhibit the understanding of their biological roles. Here we utilized ultra-high resolution ion mobility spectrometry (IMS) separations based upon the use of traveling waves in a serpentine long path length multi-pass Structures for Lossless Manipulations (SLIM) to enhance isomer resolution. Themore » multi-pass arrangement allowed separations ranging from ~16 m (1 pass) to ~470 m (32 passes) to be investigated for the distinction of lipids and glycolipids with extremely small structural differences. Lastly, these ultra-high resolution SLIM IMS-MS analyses provide a foundation for exploring and better understanding isomer specific biological and disease processes.« less

The structure of harassment and abuse in the workplace: a factorial comparison of two measures.

PubMed

Fendrich, Michael; Woodword, Paul; Richman, Judith A

2002-08-01

The structures of two measures examining negative experiences in the workplace, one focusing primarily on sexual harassment (SEQ) and one focusing on workplace abuse (GWA), were examined in detail. This article investigated whether the five subscales for the relatively unexplored measure (GWA) are reliably measured by a single underlying construct. It also investigated whether the two workplace-based measures are distinct but related constructs and the consistency of their factor structure across genders. Using a large and diverse organizational survey derived from a Midwestern university, analyses supported the distinctiveness of the two measures and showed that the factor structures for the two constructs were remarkably similar across genders. Analyses also suggested that indices of extreme behavior within each of the constructs were not reliably measured. The findings have important implications for data collection strategies in research focused on negative workplace experiences. This study provides considerable support for the continued use of both measures in research investigating the impact of adverse workplace environment on health.

Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analyses

NASA Astrophysics Data System (ADS)

Degrève, Léo; Fuzo, Carlos A.; Caliri, Antonio

2012-12-01

The Dengue has become a global public health threat, with over 100 million infections annually; to date there is no specific vaccine or any antiviral drug. The structures of the envelope (E) proteins of the four known serotype of the dengue virus (DENV) are already known, but there are insufficient molecular details of their structural behavior in solution in the distinct environmental conditions in which the DENVs are submitted, from the digestive tract of the mosquito up to its replication inside the host cell. Such detailed knowledge becomes important because of the multifunctional character of the E protein: it mediates the early events in cell entry, via receptor endocytosis and, as a class II protein, participates determinately in the process of membrane fusion. The proposed infection mechanism asserts that once in the endosome, at low pH, the E homodimers dissociate and insert into the endosomal lipid membrane, after an extensive conformational change, mainly on the relative arrangement of its three domains. In this work we employ all-atom explicit solvent Molecular Dynamics simulations to specify the thermodynamic conditions in that the E proteins are induced to experience extensive structural changes, such as during the process of reducing pH. We study the structural behavior of the E protein monomer at acid pH solution of distinct ionic strength. Extensive simulations are carried out with all the histidine residues in its full protonated form at four distinct ionic strengths. The results are analyzed in detail from structural and energetic perspectives, and the virtual protein movements are described by means of the principal component analyses. As the main result, we found that at acid pH and physiological ionic strength, the E protein suffers a major structural change; for lower or higher ionic strengths, the crystal structure is essentially maintained along of all extensive simulations. On the other hand, at basic pH, when all histidine residues are in the unprotonated form, the protein structure is very stable for ionic strengths ranging from 0 to 225 mM. Therefore, our findings support the hypothesis that the histidines constitute the hot points that induce configurational changes of E protein in acid pH, and give extra motivation to the development of new ideas for antivirus compound design.

Condition assessment of a highly porous limestone fortress: damage categories and structural integrity

NASA Astrophysics Data System (ADS)

Török, Ákos; Czinder, Balázs; Farkas, Orsolya; Görög, Péter; Kopecskó, Katalin; Lógó, János; Rozgonyi-Boissinot, Nikoletta; Vásárhelyi, Balázs

2016-04-01

An emblematic monument the Citadella fortress of Budapest has been studied in details to assess the condition of stone structure. The fortress is a large stone structure of 220 m in length and 60 m in width. The height of the porous limestone walls are in between 12-16 metres. The fortress was completed in 1854 but has been partly rebuilt due to changes in function and war related structural damages. The present paper provides an overview of the lithology, weathering forms and structural condition of the fortress related to a forthcoming restoration-reconstruction project. To assess the condition of stone both on site and laboratory analyses were performed. Lithological varieties were documented. Major identified lithotypes are porous oolitic limestone, less porous bioclastic limestone and fine grained highly porous limestone. To identify wet zones portable moisture meter was applied. Surface strength and weathering grade were also assessed using Schmidt hammer and Duroscop. Decay features were diagnosed and mapped. The most common forms are white weathering crusts, scaling and blistering of crusts as well as granular disintegration. Black weathering crusts were also recognized. Laboratory tests were focused on mechanical properties of stones and on mineralogical and chemical compositional analyses. Small samples of stone were collected and tested by optical microscopy, SEM-EDX, XRD and Thermogravimetric analyses. Laboratory analyses proved that the major salt responsible for the damage of external walls is gypsum, although significant amount of halite and hygroscopic salts were found both on the external walls and in the interior parts of the fortress. During structural analyses displacement of walls, tilting and major amount of cracks were recognized. Loss of material and subsidence also caused problems and at some places unstable wall sections were recognized.

Advanced Structural Analyses by Third Generation Synchrotron Radiation Powder Diffraction

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

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

2007-01-19

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

An accurate nonlinear finite element analysis and test correlation of a stiffened composite wing panel

NASA Astrophysics Data System (ADS)

Davis, D. D., Jr.; Krishnamurthy, T.; Stroud, W. J.; McCleary, S. L.

1991-05-01

State-of-the-art nonlinear finite element analysis techniques are evaluated by applying them to a realistic aircraft structural component. A wing panel from the V-22 tiltrotor aircraft is chosen because it is a typical modern aircraft structural component for which there is experimental data for comparison of results. From blueprints and drawings, a very detailed finite element model containing 2284 9-node Assumed Natural-Coordinate Strain elements was generated. A novel solution strategy which accounts for geometric nonlinearity through the use of corotating element reference frames and nonlinear strain-displacement relations is used to analyze this detailed model. Results from linear analyses using the same finite element model are presented in order to illustrate the advantages and costs of the nonlinear analysis as compared with the more traditional linear analysis.

An accurate nonlinear finite element analysis and test correlation of a stiffened composite wing panel

NASA Technical Reports Server (NTRS)

Davis, D. D., Jr.; Krishnamurthy, T.; Stroud, W. J.; Mccleary, S. L.

1991-01-01

State-of-the-art nonlinear finite element analysis techniques are evaluated by applying them to a realistic aircraft structural component. A wing panel from the V-22 tiltrotor aircraft is chosen because it is a typical modern aircraft structural component for which there is experimental data for comparison of results. From blueprints and drawings, a very detailed finite element model containing 2284 9-node Assumed Natural-Coordinate Strain elements was generated. A novel solution strategy which accounts for geometric nonlinearity through the use of corotating element reference frames and nonlinear strain-displacement relations is used to analyze this detailed model. Results from linear analyses using the same finite element model are presented in order to illustrate the advantages and costs of the nonlinear analysis as compared with the more traditional linear analysis.

White Light Used to Enable Enhanced Surface Topography, Geometry, and Wear Characterization of Oil-Free Bearings

NASA Technical Reports Server (NTRS)

Lucero, John M.

2003-01-01

A new optically based measuring capability that characterizes surface topography, geometry, and wear has been employed by NASA Glenn Research Center s Tribology and Surface Science Branch. To characterize complex parts in more detail, we are using a three-dimensional, surface structure analyzer-the NewView5000 manufactured by Zygo Corporation (Middlefield, CT). This system provides graphical images and high-resolution numerical analyses to accurately characterize surfaces. Because of the inherent complexity of the various analyzed assemblies, the machine has been pushed to its limits. For example, special hardware fixtures and measuring techniques were developed to characterize Oil- Free thrust bearings specifically. We performed a more detailed wear analysis using scanning white light interferometry to image and measure the bearing structure and topography, enabling a further understanding of bearing failure causes.

Syntheses, crystal structures and properties of series of 4d-4f ln(III)-Ag(I) heterometallic coordination polymers

NASA Astrophysics Data System (ADS)

Ran, Xing-Rui; Wang, Ning; Xie, Wei-Ping; Xiong, Yan-Ju; Cheng, Qian; Long, Yi; Yue, Shan-Tang; Liu, Ying-Liang

2015-05-01

By control of the experimental parameters such as ligands, pH value and reacting temperature, series of three-dimensional (3D) 4d-4f Ln(III)-Ag(I) porous coordination polymers (PCPs) with interesting chain-layer construction, namely, {[LnIIIAgI(na)(ina)(ox)]·2(H2O)}n [Ln=Sm(1), Eu(2), Gd(3), Tb(4), Dy(5), Ho(6), Y(7), Yb(8)], have been successfully synthesized under hydrothermal conditions and structurally characterized. All the complexes are characterized by elemental analyses, FT-IR spectroscopy, Powder X-ray diffraction (PXRD) and thermogravimetric analyses (TGA). Furthermore, the luminescence properties of compounds 2 and 4 and the magsnetic properties of complexes 3 and 5 were also investigated in detail.

Regional health accounts for Pakistan--expenditure disparities on provincial and district level.

PubMed

Lorenz, Christian; Khalid, Muhammad

2011-05-01

Since May 2009 the first National Health Accounts (NHA) for Pakistan have been finalised and published by Federal Bureau of Statistics (FBS) in cooperation with German Technical Cooperation (GTZ). This paper goes one step ahead of the report and analyses in more detail the regional differences in health expenditure structures in Pakistan. The further analyses can be divided into four parts: health expenditures in provinces (Provincial Health Accounts, PHA), Punjab provincial and district governments health expenditures and its comparison with ADB figures, all districts of Pakistan and comparison between total district government and provincial government expenditure for each province; the latter calculation is applied as indication for the degree of fiscal autonomy of the districts in each province. Consequently, first the provincial health expenditures by Financial Agents is analysed and compared between the provinces which leads to very heterogeneous results (section 2); the per capita health expenditures differ from 16 to 23 USD. Secondly, NHA results on Punjab district government are compared with available ADB results and differences in methods as possible reasons for different results are presented (section 3). Third, district data of all district governments in all four Pakistani provinces are analysed on the level of detailed function codes in section 4; the aim is to discover regional differences between districts of the same as well as of different provinces. Fourth, in section 5 the degree of fiscal autonomy on health of the districts in each province is analysed; therefore the ordinance description is reviewed and total district government with total provincial government expenditures are compared per province. Finally recommendations for future rounds of NHA in Pakistan are given regarding formats and necessities of detailed health expenditure data collection to ensure evidence based decision making not only on federal, but also on provincial and district level.

Roles of silica and lignin in horsetail (Equisetum hyemale), with special reference to mechanical properties

NASA Astrophysics Data System (ADS)

Yamanaka, Shigeru; Sato, Kanna; Ito, Fuyu; Komatsubara, Satoshi; Ohata, Hiroshi; Yoshino, Katsumi

2012-02-01

This research deals with detailed analyses of silica and lignin distribution in horsetail with special reference to mechanical strength. Scanning electron images of a cross-section of an internode showed silica deposited densely only around the outer epidermis. Detailed histochemical analyses of lignin showed no lignin deposition in the silica-rich outer internodes of horsetail, while a characteristic lignin deposition was noticed in the vascular bundle in inner side of internodes. To analyze the structure of horsetail from a mechanical viewpoint, we calculated the response of a model structure of horsetail to a mechanical force applied perpendicularly to the long axis by a finite element method. We found that silica distributed in the outer epidermis may play the major structural role, with lignin's role being limited ensuring that the vascular bundle keep waterproof. These results were in contrast to more modern tall trees like gymnosperms, for which lignin provides mechanical strength. Lignin has the advantage of sticking to cellulose, hemicellulose, and other materials. Such properties make it possible for plants containing lignin to branch. Branching of tree stems aids in competing for light and other atmospheric resources. This type of branching was impossible for ancient horsetails, which relied on the physical properties of silica. From the evolutional view points, over millennia in trees with high lignin content, true branching, and many chlorophyll-containing leaves developed.

Revealing the planar chemistry of two-dimensional heterostructures at the atomic level.

PubMed

Chou, Harry; Ismach, Ariel; Ghosh, Rudresh; Ruoff, Rodney S; Dolocan, Andrei

2015-06-23

Two-dimensional (2D) atomic crystals and their heterostructures are an intense area of study owing to their unique properties that result from structural planar confinement. Intrinsically, the performance of a planar vertical device is linked to the quality of its 2D components and their interfaces, therefore requiring characterization tools that can reveal both its planar chemistry and morphology. Here, we propose a characterization methodology combining (micro-) Raman spectroscopy, atomic force microscopy and time-of-flight secondary ion mass spectrometry to provide structural information, morphology and planar chemical composition at virtually the atomic level, aimed specifically at studying 2D vertical heterostructures. As an example system, a graphene-on-h-BN heterostructure is analysed to reveal, with an unprecedented level of detail, the subtle chemistry and interactions within its layer structure that can be assigned to specific fabrication steps. Such detailed chemical information is of crucial importance for the complete integration of 2D heterostructures into functional devices.

Threading the biophysics of mammalian Slo1 channels onto structures of an invertebrate Slo1 channel

PubMed Central

2017-01-01

For those interested in the machinery of ion channel gating, the Ca2+ and voltage-activated BK K+ channel provides a compelling topic for investigation, by virtue of its dual allosteric regulation by both voltage and intracellular Ca2+ and because its large-single channel conductance facilitates detailed kinetic analysis. Over the years, biophysical analyses have illuminated details of the allosteric regulation of BK channels and revealed insights into the mechanism of BK gating, e.g., inner cavity size and accessibility and voltage sensor-pore coupling. Now the publication of two structures of an Aplysia californica BK channel—one liganded and one metal free—promises to reinvigorate functional studies and interpretation of biophysical results. The new structures confirm some of the previous functional inferences but also suggest new perspectives regarding cooperativity between Ca2+-binding sites and the relationship between voltage- and Ca2+-dependent gating. Here we consider the extent to which the two structures explain previous functional data on pore-domain properties, voltage-sensor motions, and divalent cation binding and activation of the channel. PMID:29025867

The Vip3Ag4 Insecticidal Protoxin from Bacillus thuringiensis Adopts A Tetrameric Configuration That Is Maintained on Proteolysis

PubMed Central

Palma, Leopoldo; Scott, David J.; Harris, Gemma; Din, Salah-Ud; Williams, Thomas L.; Roberts, Oliver J.; Young, Mark T.; Caballero, Primitivo; Berry, Colin

2017-01-01

The Vip3 proteins produced during vegetative growth by strains of the bacterium Bacillus thuringiensis show insecticidal activity against lepidopteran insects with a mechanism of action that may involve pore formation and apoptosis. These proteins are promising supplements to our arsenal of insecticidal proteins, but the molecular details of their activity are not understood. As a first step in the structural characterisation of these proteins, we have analysed their secondary structure and resolved the surface topology of a tetrameric complex of the Vip3Ag4 protein by transmission electron microscopy. Sites sensitive to proteolysis by trypsin are identified and the trypsin-cleaved protein appears to retain a similar structure as an octomeric complex comprising four copies each of the ~65 kDa and ~21 kDa products of proteolysis. This processed form of the toxin may represent the active toxin. The quality and monodispersity of the protein produced in this study make Vip3Ag4 a candidate for more detailed structural analysis using cryo-electron microscopy. PMID:28505109

Conceptual Design and Structural Analysis of an Open Rotor Hybrid Wing Body Aircraft

NASA Technical Reports Server (NTRS)

Gern, Frank H.

2013-01-01

Through a recent NASA contract, Boeing Research and Technology in Huntington Beach, CA developed and optimized a conceptual design of an open rotor hybrid wing body aircraft (HWB). Open rotor engines offer a significant potential for fuel burn savings over turbofan engines, while the HWB configuration potentially allows to offset noise penalties through possible engine shielding. Researchers at NASA Langley converted the Boeing design to a FLOPS model which will be used to develop take-off and landing trajectories for community noise analyses. The FLOPS model was calibrated using Boeing data and shows good agreement with the original Boeing design. To complement Boeing s detailed aerodynamics and propulsion airframe integration work, a newly developed and validated conceptual structural analysis and optimization tool was used for a conceptual loads analysis and structural weights estimate. Structural optimization and weight calculation are based on a Nastran finite element model of the primary HWB structure, featuring centerbody, mid section, outboard wing, and aft body. Results for flight loads, deformations, wing weight, and centerbody weight are presented and compared to Boeing and FLOPS analyses.

Bifilar analysis users manual, volume 2

NASA Technical Reports Server (NTRS)

Cassarino, S. J.

1980-01-01

The digital computer program developed to study the vibration response of a coupled rotor/bifilar/airframe coupled system is described. The theoretical development of the rotor/airframe system equations of motion is provided. The fuselage and bifilar absorber equations of motion are discussed. The modular block approach used in the make-up of this computer program is described. The input data needed to run the rotor and bifilar absorber analyses is described. Sample output formats are presented and discussed. The results for four test cases, which use the major logic paths of the computer program, are presented. The overall program structure is discussed in detail. The FORTRAN subroutines are described in detail.

The inner formal structure of the H-T-P drawings: an exploratory study.

PubMed

Vass, Z

1998-08-01

The study describes some interrelated patterns of traits of the House-Tree-Person (H-T-P) drawings with the instruments of hierarchical cluster analysis. First, according to the literature 1 7 formal or structural aspects of the projective drawings were collected, after which a detailed manual for coding was compiled. Second, the interrater reliability and the consistency of this manual was tested. Third, the hierarchical cluster structure of the reliable and consistent formal aspects was analysed. Results are: (a) a psychometrically tested coding manual of the investigated formal-structural aspects, each of them illustrated with drawings that showed the highest interrater agreement; and (b) the hierarchic cluster structure of the formal aspects of the H-T-P drawings of "normal" adults.

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

PubMed

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

2010-06-01

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

Full-scale testing, production and cost analysis data for the advanced composite stabilizer for Boeing 737 aircraft. Volume 1: Technical summary

NASA Technical Reports Server (NTRS)

Aniversario, R. B.; Harvey, S. T.; Mccarty, J. E.; Parsons, J. T.; Peterson, D. C.; Pritchett, L. D.; Wilson, D. R.; Wogulis, E. R.

1983-01-01

The full scale ground test, ground vibration test, and flight tests conducted to demonstrate a composite structure stabilizer for the Boeing 737 aircraft and obtain FAA certification are described. Detail tools, assembly tools, and overall production are discussed. Cost analyses aspects covered include production costs, composite material usage factors, and cost comparisons.

Examination of Bursty Electromagnetic Waves Observed During Intervals of Turbulent Magnetosheath Reconnection

NASA Technical Reports Server (NTRS)

Adrian, Mark L.; Wendel, D. E.

2011-01-01

We investigate observations of intense bursts of electromagnetic waves in association with magnetic reconnection in the turbulent magnetosheath. These structured, broadband bursts occur above 80-Hz, often displaying features reminiscent of absorption bands and are observed at local minima in the magnetic field. We present detailed analyses of these intense bursts of electromagnetic waves and quantify their proximity to X- and O-nulls.

Structure—activity relationships for insecticidal carbamates*

PubMed Central

Metcalf, Robert L.

1971-01-01

Carbamate insecticides are biologically active because of their structural complementarity to the active site of acetylcholinesterase (AChE) and their consequent action as substrates with very low turnover numbers. Carbamates behave as synthetic neurohormones that produce their toxic action by interrupting the normal action of AChE so that acetylcholine accumulates at synaptic junctions. The necessary properties for a suitable insecticidal carbamate are lipid solubility, suitable structural complementarity to AChE, and sufficient stability to multifunction-oxidase detoxification. The relationships between the structure and the activity of a large number of synthetic carbamates are analysed in detail, with particular attention to the second of these properties. PMID:5315358

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

NASA Technical Reports Server (NTRS)

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

2013-01-01

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

Comparisons of several aerodynamic methods for application to dynamic loads analyses

NASA Technical Reports Server (NTRS)

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

1976-01-01

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

Automated asteroseismic peak detections

NASA Astrophysics Data System (ADS)

García Saravia Ortiz de Montellano, Andrés; Hekker, S.; Themeßl, N.

2018-05-01

Space observatories such as Kepler have provided data that can potentially revolutionize our understanding of stars. Through detailed asteroseismic analyses we are capable of determining fundamental stellar parameters and reveal the stellar internal structure with unprecedented accuracy. However, such detailed analyses, known as peak bagging, have so far been obtained for only a small percentage of the observed stars while most of the scientific potential of the available data remains unexplored. One of the major challenges in peak bagging is identifying how many solar-like oscillation modes are visible in a power density spectrum. Identification of oscillation modes is usually done by visual inspection that is time-consuming and has a degree of subjectivity. Here, we present a peak-detection algorithm especially suited for the detection of solar-like oscillations. It reliably characterizes the solar-like oscillations in a power density spectrum and estimates their parameters without human intervention. Furthermore, we provide a metric to characterize the false positive and false negative rates to provide further information about the reliability of a detected oscillation mode or the significance of a lack of detected oscillation modes. The algorithm presented here opens the possibility for detailed and automated peak bagging of the thousands of solar-like oscillators observed by Kepler.

Multiscale Analysis of Nanocomposites and Their Use in Structural Level Applications

NASA Astrophysics Data System (ADS)

Hasan, Zeaid

This research focuses on the benefits of using nanocomposites in aerospace structural components to prevent or delay the onset of unique composite failure modes, such as delamination. Analytical, numerical, and experimental analyses were conducted to provide a comprehensive understanding of how carbon nanotubes (CNTs) can provide additional structural integrity when they are used in specific hot spots within a structure. A multiscale approach was implemented to determine the mechanical and thermal properties of the nanocomposites, which were used in detailed finite element models (FEMs) to analyze interlaminar failures in T and Hat section stringers. The delamination that first occurs between the tow filler and the bondline between the stringer and skin was of particular interest. Both locations are considered to be hot spots in such structural components, and failures tend to initiate from these areas. In this research, nanocomposite use was investigated as an alternative to traditional methods of suppressing delamination. The stringer was analyzed under different loading conditions and assuming different structural defects. Initial damage, defined as the first drop in the load displacement curve was considered to be a useful variable to compare the different behaviors in this study and was detected via the virtual crack closure technique (VCCT) implemented in the FE analysis. Experiments were conducted to test T section skin/stringer specimens under pull-off loading, replicating those used in composite panels as stiffeners. Two types of designs were considered: one using pure epoxy to fill the tow region and another that used nanocomposite with 5 wt. % CNTs. The response variable in the tests was the initial damage. Detailed analyses were conducted using FEMs to correlate with the experimental data. The correlation between both the experiment and model was satisfactory. Finally, the effects of thermal cure and temperature variation on nanocomposite structure behavior were studied, and both variables were determined to influence the nanocomposite structure performance.

Crystal structure of listeriolysin O reveals molecular details of oligomerization and pore formation

NASA Astrophysics Data System (ADS)

Köster, Stefan; van Pee, Katharina; Hudel, Martina; Leustik, Martin; Rhinow, Daniel; Kühlbrandt, Werner; Chakraborty, Trinad; Yildiz, Özkan

2014-04-01

Listeriolysin O (LLO) is an essential virulence factor of Listeria monocytogenes that causes listeriosis. Listeria monocytogenes owes its ability to live within cells to the pH- and temperature-dependent pore-forming activity of LLO, which is unique among cholesterol-dependent cytolysins. LLO enables the bacteria to cross the phagosomal membrane and is also involved in activation of cellular processes, including the modulation of gene expression or intracellular Ca2+ oscillations. Neither the pore-forming mechanism nor the mechanisms triggering the signalling processes in the host cell are known in detail. Here, we report the crystal structure of LLO, in which we identified regions important for oligomerization and pore formation. Mutants were characterized by determining their haemolytic and Ca2+ uptake activity. We analysed the pore formation of LLO and its variants on erythrocyte ghosts by electron microscopy and show that pore formation requires precise interface interactions during toxin oligomerization on the membrane.

Advanced Main Combustion Chamber structural jacket strength analysis

NASA Astrophysics Data System (ADS)

Johnston, L. M.; Perkins, L. A.; Denniston, C. L.; Price, J. M.

1993-04-01

The structural analysis of the Advanced Main Combustion Chamber (AMCC) is presented. The AMCC is an advanced fabrication concept of the Space Shuttle Main Engine main combustion chamber (MCC). Reduced cost and fabrication time of up to 75 percent were the goals of the AMCC with cast jacket with vacuum plasma sprayed or platelet liner. Since the cast material for the AMCC is much weaker than the wrought material for the MCC, the AMCC is heavier and strength margins much lower in some areas. Proven hand solutions were used to size the manifolds cutout tee areas for combined pressure and applied loads. Detailed finite element strength analyses were used to size the manifolds, longitudinal ribs, and jacket for combined pressure and applied local loads. The design of the gimbal actuator strut attachment lugs were determined by finite element analyses and hand solutions.

Analysis of a Hybrid Wing Body Center Section Test Article

NASA Technical Reports Server (NTRS)

Wu, Hsi-Yung T.; Shaw, Peter; Przekop, Adam

2013-01-01

The hybrid wing body center section test article is an all-composite structure made of crown, floor, keel, bulkhead, and rib panels utilizing the Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) design concept. The primary goal of this test article is to prove that PRSEUS components are capable of carrying combined loads that are representative of a hybrid wing body pressure cabin design regime. This paper summarizes the analytical approach, analysis results, and failure predictions of the test article. A global finite element model of composite panels, metallic fittings, mechanical fasteners, and the Combined Loads Test System (COLTS) test fixture was used to conduct linear structural strength and stability analyses to validate the specimen under the most critical combination of bending and pressure loading conditions found in the hybrid wing body pressure cabin. Local detail analyses were also performed at locations with high stress concentrations, at Tee-cap noodle interfaces with surrounding laminates, and at fastener locations with high bearing/bypass loads. Failure predictions for different composite and metallic failure modes were made, and nonlinear analyses were also performed to study the structural response of the test article under combined bending and pressure loading. This large-scale specimen test will be conducted at the COLTS facility at the NASA Langley Research Center.

Filtering of high noise breast thermal images using fast non-local means.

PubMed

Suganthi, S S; Ramakrishnan, S

2014-01-01

Analyses of breast thermograms are still a challenging task primarily due to the limitations such as low contrast, low signal to noise ratio and absence of clear edges. Therefore, always there is a requirement for preprocessing techniques before performing any quantitative analysis. In this work, a noise removal framework using fast non-local means algorithm, method noise and median filter was used to denoise breast thermograms. The images considered were subjected to Anscombe transformation to convert the distribution from Poisson to Gaussian. The pre-denoised image was obtained by subjecting the transformed image to fast non-local means filtering. The method noise which is the difference between the original and pre-denoised image was observed with the noise component merged in few structures and fine detail of the image. The image details presented in the method noise was extracted by smoothing the noise part using the median filter. The retrieved image part was added to the pre-denoised image to obtain the final denoised image. The performance of this technique was compared with that of Wiener and SUSAN filters. The results show that all the filters considered are able to remove the noise component. The performance of the proposed denoising framework is found to be good in preserving detail and removing noise. Further, the method noise is observed with negligible image details. Similarly, denoised image with no noise and smoothed edges are observed using Wiener filter and its method noise is contained with few structures and image details. The performance results of SUSAN filter is found to be blurred denoised image with little noise and also method noise with extensive structure and image details. Hence, it appears that the proposed denoising framework is able to preserve the edge information and generate clear image that could help in enhancing the diagnostic relevance of breast thermograms. In this paper, the introduction, objectives, materials and methods, results and discussion and conclusions are presented in detail.

Knowledge representation in metabolic pathway databases.

PubMed

Stobbe, Miranda D; Jansen, Gerbert A; Moerland, Perry D; van Kampen, Antoine H C

2014-05-01

The accurate representation of all aspects of a metabolic network in a structured format, such that it can be used for a wide variety of computational analyses, is a challenge faced by a growing number of researchers. Analysis of five major metabolic pathway databases reveals that each database has made widely different choices to address this challenge, including how to deal with knowledge that is uncertain or missing. In concise overviews, we show how concepts such as compartments, enzymatic complexes and the direction of reactions are represented in each database. Importantly, also concepts which a database does not represent are described. Which aspects of the metabolic network need to be available in a structured format and to what detail differs per application. For example, for in silico phenotype prediction, a detailed representation of gene-protein-reaction relations and the compartmentalization of the network is essential. Our analysis also shows that current databases are still limited in capturing all details of the biology of the metabolic network, further illustrated with a detailed analysis of three metabolic processes. Finally, we conclude that the conceptual differences between the databases, which make knowledge exchange and integration a challenge, have not been resolved, so far, by the exchange formats in which knowledge representation is standardized.

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

NASA Astrophysics Data System (ADS)

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

2016-11-01

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

Biology and applications of human minisatellite loci.

PubMed

Armour, J A; Jeffreys, A J

1992-12-01

Highly repetitive minisatellites' include the most variable human loci described to date. They have proved invaluable in a wide variety of genetic analyses, and despite some controversies surrounding their practical implementation, have been extensively adopted in civil and forensic casework. Molecular analysis of internal allelic structure has provided detailed insights into the repeat-unit turnover mechanisms operating in germline mutations, which are ultimately responsible for the extreme variability seen at these loci.

Program for establishing long time flight service performance of composite materials in the central wing structure of C-130 aircraft. Phase 2: Detailed design

NASA Technical Reports Server (NTRS)

Harvill, W. E.; Duhig, J. J.; Spencer, B. R.

1973-01-01

The design, fabrication, and evaluation of boron-epoxy reinforced C-130 center wing boxes are discussed. Design drawings, static strength, fatigue endurance, flutter, and weight analyses required for the wing box fabrication are presented. Additional component testing to verify the design for panel buckling and to evaluate specific local design areas are reported.

Exploration of New Principles in Spintronics Based on Topological Insulators (Option 1)

DTIC Science & Technology

2012-05-14

on the surface and found that our crystals are exceedingly homogeneous (Supplementary Information). The persistently narrow X - ray diffraction peaks...modified Bridgman method (see Supplementary Information for details). X - ray diffraction measurements indicated the monotonic shrinkage of a and c axis...and annealing at that temperature for 4 days. X - ray diffraction analyses confirmed that all the samples have the same crystal structure (R 3m

Multidisciplinary aeroelastic analysis of a generic hypersonic vehicle

NASA Technical Reports Server (NTRS)

Gupta, K. K.; Petersen, K. L.

1993-01-01

This paper presents details of a flutter and stability analysis of aerospace structures such as hypersonic vehicles. Both structural and aerodynamic domains are discretized by the common finite element technique. A vibration analysis is first performed by the STARS code employing a block Lanczos solution scheme. This is followed by the generation of a linear aerodynamic grid for subsequent linear flutter analysis within subsonic and supersonic regimes of the flight envelope; the doublet lattice and constant pressure techniques are employed to generate the unsteady aerodynamic forces. Flutter analysis is then performed for several representative flight points. The nonlinear flutter solution is effected by first implementing a CFD solution of the entire vehicle. Thus, a 3-D unstructured grid for the entire flow domain is generated by a moving front technique. A finite element Euler solution is then implemented employing a quasi-implicit as well as an explicit solution scheme. A novel multidisciplinary analysis is next effected that employs modal and aerodynamic data to yield aerodynamic damping characteristics. Such analyses are performed for a number of flight points to yield a large set of pertinent data that define flight flutter characteristics of the vehicle. This paper outlines the finite-element-based integrated analysis procedures in detail, which is followed by the results of numerical analyses of flight flutter simulation.

Accurate 3d Scanning of Damaged Ancient Greek Inscriptions for Revealing Weathered Letters

NASA Astrophysics Data System (ADS)

Papadaki, A. I.; Agrafiotis, P.; Georgopoulos, A.; Prignitz, S.

2015-02-01

In this paper two non-invasive non-destructive alternative techniques to the traditional and invasive technique of squeezes are presented alongside with specialized developed processing methods, aiming to help the epigraphists to reveal and analyse weathered letters in ancient Greek inscriptions carved in masonry or marble. The resulting 3D model would serve as a detailed basis for the epigraphists to try to decipher the inscription. The data were collected by using a Structured Light scanner. The creation of the final accurate three dimensional model is a complicated procedure requiring large computation cost and human effort. It includes the collection of geometric data in limited space and time, the creation of the surface, the noise filtering and the merging of individual surfaces. The use of structured light scanners is time consuming and requires costly hardware and software. Therefore an alternative methodology for collecting 3D data of the inscriptions was also implemented for reasons of comparison. Hence, image sequences from varying distances were collected using a calibrated DSLR camera aiming to reconstruct the 3D scene through SfM techniques in order to evaluate the efficiency and the level of precision and detail of the obtained reconstructed inscriptions. Problems in the acquisition processes as well as difficulties in the alignment step and mesh optimization are also encountered. A meta-processing framework is proposed and analysed. Finally, the results of processing and analysis and the different 3D models are critically inspected and then evaluated by a specialist in terms of accuracy, quality and detail of the model and the capability of revealing damaged and "hidden" letters.

Regulating the chromatin landscape: structural and mechanistic perspectives.

PubMed

Bartholomew, Blaine

2014-01-01

A large family of chromatin remodelers that noncovalently modify chromatin is crucial in cell development and differentiation. They are often the targets of cancer, neurological disorders, and other human diseases. These complexes alter nucleosome positioning, higher-order chromatin structure, and nuclear organization. They also assemble chromatin, exchange out histone variants, and disassemble chromatin at defined locations. We review aspects of the structural organization of these complexes, the functional properties of their protein domains, and variation between complexes. We also address the mechanistic details of these complexes in mobilizing nucleosomes and altering chromatin structure. A better understanding of these issues will be vital for further analyses of subunits of these chromatin remodelers, which are being identified as targets in human diseases by NGS (next-generation sequencing).

Detailed thermodynamic analyses of high-speed compressible turbulence

NASA Astrophysics Data System (ADS)

Towery, Colin; Darragh, Ryan; Poludnenko, Alexei; Hamlington, Peter

2016-11-01

Interactions between high-speed turbulence and flames (or chemical reactions) are important in the dynamics and description of many different combustion phenomena, including autoignition and deflagration-to-detonation transition. The probability of these phenomena to occur depends on the magnitude and spectral content of turbulence fluctuations, which can impact a wide range of science and engineering problems, from the hypersonic scramjet engine to the onset of Type Ia supernovae. In this talk, we present results from new direct numerical simulations (DNS) of homogeneous isotropic turbulence with turbulence Mach numbers ranging from 0 . 05 to 1 . 0 and Taylor-scale Reynolds numbers as high as 700. A set of detailed analyses are described in both Eulerian and Lagrangian reference frames in order to assess coherent (structural) and incoherent (stochastic) thermodynamic flow features. These analyses provide direct insights into the thermodynamics of strongly compressible turbulence. Furthermore, presented results provide a non-reacting baseline for future studies of turbulence-chemistry interactions in DNS with complex chemistry mechanisms. This work was supported by the Air Force Office of Scientific Research (AFOSR) under Award No. FA9550-14-1-0273, and the Department of Defense (DoD) High Performance Computing Modernization Program (HPCMP) under a Frontier project award.

An epistemology on the nature of polymers.

PubMed

Laridjani, Mortéza; Leboucher, Pierre

2014-01-01

Liquids have neither a periodic structure nor the completely random character of gases therefore the detailed study of their x-ray scattering diagram encounters many difficulties. The idea of periodic regularity in molecules of liquid polymers has been an attractive proposition for the simple interpretation of liquid polymer x-ray diagrams. The categorisation of polymer substances as being between a crystal phase with a perfect order and an amorphous disordered state is an over simplification of the complex reality. For obtaining structural information, during the early stages of the application of x-ray diffraction, a near crystalline model of the molecular arrangements in liquids was utilised. However, the results from these investigations led to just an approximation of the crystalline state. Our studies have analysed the real image of Fourier space of liquid polymers, for the first time, using anomalous diffractometry. The findings show the precise atomic structure of liquid polymers when transformed, by cooling, to solid polymers. We demonstrate that there is an intermediate ordered structure, characterised by the real full image of Fourier space. This prominent state of matter, an intermediate ordered structure, is defined by a regular unit cell with a five-fold symmetry. These structural atomic studies contribute to a more detailed understanding of the properties of polymers than the traditional studies of the degree of crystallinity.

An Epistemology on the Nature of Polymers

PubMed Central

Laridjani, Mortéza; Leboucher, Pierre

2014-01-01

Liquids have neither a periodic structure nor the completely random character of gases therefore the detailed study of their x-ray scattering diagram encounters many difficulties. The idea of periodic regularity in molecules of liquid polymers has been an attractive proposition for the simple interpretation of liquid polymer x-ray diagrams. The categorisation of polymer substances as being between a crystal phase with a perfect order and an amorphous disordered state is an over simplification of the complex reality. For obtaining structural information, during the early stages of the application of x-ray diffraction, a near crystalline model of the molecular arrangements in liquids was utilised. However, the results from these investigations led to just an approximation of the crystalline state. Our studies have analysed the real image of Fourier space of liquid polymers, for the first time, using anomalous diffractometry. The findings show the precise atomic structure of liquid polymers when transformed, by cooling, to solid polymers. We demonstrate that there is an intermediate ordered structure, characterised by the real full image of Fourier space. This prominent state of matter, an intermediate ordered structure, is defined by a regular unit cell with a five-fold symmetry. These structural atomic studies contribute to a more detailed understanding of the properties of polymers than the traditional studies of the degree of crystallinity. PMID:25329440

Review of amateur meteor research

NASA Astrophysics Data System (ADS)

Rendtel, Jürgen

2017-09-01

Significant amounts of meteor astronomical data are provided by amateurs worldwide, using various methods. This review concentrates on optical data. Long-term meteor shower analyses based on consistent data are possible over decades (Orionids, Geminids, κ-Cygnids) and allow combination with modelling results. Small and weak structures related to individual stream filaments of cometary dust have been analysed in both major and minor showers (Quadrantids, September ε-Perseids), providing feedback to meteoroid ejection and stream evolution processes. Meteoroid orbit determination from video meteor networks contributes to the improvement of the IAU meteor data base. Professional-amateur cooperation also concerns observations and detailed analysis of fireball data, including meteorite ground searches.

Design of a Model Execution Framework: Repetitive Object-Oriented Simulation Environment (ROSE)

NASA Technical Reports Server (NTRS)

Gray, Justin S.; Briggs, Jeffery L.

2008-01-01

The ROSE framework was designed to facilitate complex system analyses. It completely divorces the model execution process from the model itself. By doing so ROSE frees the modeler to develop a library of standard modeling processes such as Design of Experiments, optimizers, parameter studies, and sensitivity studies which can then be applied to any of their available models. The ROSE framework accomplishes this by means of a well defined API and object structure. Both the API and object structure are presented here with enough detail to implement ROSE in any object-oriented language or modeling tool.

NREL Software Aids Offshore Wind Turbine Designs (Fact Sheet)

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

Not Available

2013-10-01

NREL researchers are supporting offshore wind power development with computer models that allow detailed analyses of both fixed and floating offshore wind turbines. While existing computer-aided engineering (CAE) models can simulate the conditions and stresses that a land-based wind turbine experiences over its lifetime, offshore turbines require the additional considerations of variations in water depth, soil type, and wind and wave severity, which also necessitate the use of a variety of support-structure types. NREL's core wind CAE tool, FAST, models the additional effects of incident waves, sea currents, and the foundation dynamics of the support structures.

Structural design criteria for filament-wound composite shells

NASA Technical Reports Server (NTRS)

Hahn, H. T.; Jensen, D. W.; Claus, S. J.; Pai, S. P.; Hipp, P. A.

1994-01-01

Advanced composite cylinders, manufactured by filament winding, provide a cost effective solution to many present structural applications; however, the compressive performance of filament-wound cylinders is lower than comparable shells fabricated from unidirectional tape. The objective of this study was to determine the cause of this reduction in thin filament-wound cylinders by relating the manufacturing procedures to the quality of the cylinder and to its compressive performance. The experiments on cylinder buckling were complemented by eigenvalue buckling analysis using a detailed geometric model in a finite element analysis. The applicability of classical buckling analyses was also investigated as a design tool.

Multiphysics Code Demonstrated for Propulsion Applications

NASA Technical Reports Server (NTRS)

Lawrence, Charles; Melis, Matthew E.

1998-01-01

The utility of multidisciplinary analysis tools for aeropropulsion applications is being investigated at the NASA Lewis Research Center. The goal of this project is to apply Spectrum, a multiphysics code developed by Centric Engineering Systems, Inc., to simulate multidisciplinary effects in turbomachinery components. Many engineering problems today involve detailed computer analyses to predict the thermal, aerodynamic, and structural response of a mechanical system as it undergoes service loading. Analysis of aerospace structures generally requires attention in all three disciplinary areas to adequately predict component service behavior, and in many cases, the results from one discipline substantially affect the outcome of the other two. There are numerous computer codes currently available in the engineering community to perform such analyses in each of these disciplines. Many of these codes are developed and used in-house by a given organization, and many are commercially available. However, few, if any, of these codes are designed specifically for multidisciplinary analyses. The Spectrum code has been developed for performing fully coupled fluid, thermal, and structural analyses on a mechanical system with a single simulation that accounts for all simultaneous interactions, thus eliminating the requirement for running a large number of sequential, separate, disciplinary analyses. The Spectrum code has a true multiphysics analysis capability, which improves analysis efficiency as well as accuracy. Centric Engineering, Inc., working with a team of Lewis and AlliedSignal Engines engineers, has been evaluating Spectrum for a variety of propulsion applications including disk quenching, drum cavity flow, aeromechanical simulations, and a centrifugal compressor flow simulation.

The Age-ility Project (Phase 1): Structural and functional imaging and electrophysiological data repository.

PubMed

Karayanidis, Frini; Keuken, Max C; Wong, Aaron; Rennie, Jaime L; de Hollander, Gilles; Cooper, Patrick S; Ross Fulham, W; Lenroot, Rhoshel; Parsons, Mark; Phillips, Natalie; Michie, Patricia T; Forstmann, Birte U

2016-01-01

Our understanding of the complex interplay between structural and functional organisation of brain networks is being advanced by the development of novel multi-modal analyses approaches. The Age-ility Project (Phase 1) data repository offers open access to structural MRI, diffusion MRI, and resting-state fMRI scans, as well as resting-state EEG recorded from the same community participants (n=131, 15-35 y, 66 male). Raw imaging and electrophysiological data as well as essential demographics are made available via the NITRC website. All data have been reviewed for artifacts using a rigorous quality control protocol and detailed case notes are provided. Copyright © 2015. Published by Elsevier Inc.

Improved finite element methodology for integrated thermal structural analysis

NASA Technical Reports Server (NTRS)

Dechaumphai, P.; Thornton, E. A.

1982-01-01

An integrated thermal-structural finite element approach for efficient coupling of thermal and structural analysis is presented. New thermal finite elements which yield exact nodal and element temperatures for one dimensional linear steady state heat transfer problems are developed. A nodeless variable formulation is used to establish improved thermal finite elements for one dimensional nonlinear transient and two dimensional linear transient heat transfer problems. The thermal finite elements provide detailed temperature distributions without using additional element nodes and permit a common discretization with lower order congruent structural finite elements. The accuracy of the integrated approach is evaluated by comparisons with analytical solutions and conventional finite element thermal structural analyses for a number of academic and more realistic problems. Results indicate that the approach provides a significant improvement in the accuracy and efficiency of thermal stress analysis for structures with complex temperature distributions.

A cross-national study on the multidimensional characteristics of the five-item psychological demands scale of the Job Content Questionnaire.

PubMed

Choi, BongKyoo; Kawakami, Norito; Chang, SeiJin; Koh, SangBaek; Bjorner, Jakob; Punnett, Laura; Karasek, Robert

2008-01-01

The five-item psychological demands scale of the Job Content Questionnaire (JCQ) has been assumed to be one-dimensional in practice. To examine whether the scale has sufficient internal consistency and external validity to be treated as a single scale, using the cross-national JCQ datasets from the United States, Korea, and Japan. Exploratory factor analyses with 22 JCQ items, confirmatory factor analyses with the five psychological demands items, and correlations analyses with mental health indexes. Generally, exploratory factor analyses displayed the predicted demand/control/support structure with three and four factors extracted. However, at more detailed levels of exploratory and confirmatory factor analyses, the demands scale showed clear evidence of multi-factor structure. The correlations of items and subscales of the demands scale with mental health indexes were similar to those of the full scale in the Korean and Japanese datasets, but not in the U.S. data. In 4 out of 16 sub-samples of the U.S. data, several significant correlations of the components of the demands scale with job dissatisfaction and life dissatisfaction were obscured by the full scale. The multidimensionality of the psychological demands scale should be considered in psychometric analysis and interpretation, occupational epidemiologic studies, and future scale extension.

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

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

Weatherby, J.R.

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

Applications of Parallel Computation in Micro-Mechanics and Finite Element Method

NASA Technical Reports Server (NTRS)

Tan, Hui-Qian

1996-01-01

This project discusses the application of parallel computations related with respect to material analyses. Briefly speaking, we analyze some kind of material by elements computations. We call an element a cell here. A cell is divided into a number of subelements called subcells and all subcells in a cell have the identical structure. The detailed structure will be given later in this paper. It is obvious that the problem is "well-structured". SIMD machine would be a better choice. In this paper we try to look into the potentials of SIMD machine in dealing with finite element computation by developing appropriate algorithms on MasPar, a SIMD parallel machine. In section 2, the architecture of MasPar will be discussed. A brief review of the parallel programming language MPL also is given in that section. In section 3, some general parallel algorithms which might be useful to the project will be proposed. And, combining with the algorithms, some features of MPL will be discussed in more detail. In section 4, the computational structure of cell/subcell model will be given. The idea of designing the parallel algorithm for the model will be demonstrated. Finally in section 5, a summary will be given.

A tutorial solution to scattering of radiation in a thin atmosphere bounded below by a diffusely reflecting, absorbing surface

NASA Technical Reports Server (NTRS)

Buglia, J. J.

1982-01-01

A simple tutorial method, based on a photon tracking procedure, is described to determine the spherical albedo for a thin atmosphere overlying a reflecting surface. This procedure is used to provide a physical structure with which to interpret the more detailed but highly mathematical analyses presented. The final equations are shown to be in good numerical agreement with more exact solutions for thin atmospheres.

A graphite-lined regeneratively cooled thrust chamber

NASA Technical Reports Server (NTRS)

Stubbs, V. R.

1972-01-01

Design concepts, based on use of graphite as a thermal barrier for regeneratively cooled FLOX-methane thrust chambers, have been screened and concepts selected for detailed thermodynamic, stress, and fabrication analyses. A single design employing AGCarb-101, a fibrous graphite composite material, for a thermal barrier liner and an electroformed nickel structure with integral coolant passages was selected for fabrication and testing. The fabrication processes and the test results are described and illustrated.

Computer Simulation For Design Of TWT's

NASA Technical Reports Server (NTRS)

Bartos, Karen F.; Fite, E. Brian; Shalkhauser, Kurt A.; Sharp, G. Richard

1992-01-01

A three-dimensional finite-element analytical technique facilitates design and fabrication of traveling-wave-tube (TWT) slow-wave structures. Used to perform thermal and mechanical analyses of TWT designed with variety of configurations, geometries, and materials. Using three-dimensional computer analysis, designer able to simulate building and testing of TWT, with consequent substantial saving of time and money. Technique enables detailed look into operation of traveling-wave tubes to help improve performance for future communications systems.

Three-Dimensional Numerical Analyses of Earth Penetration Dynamics

DTIC Science & Technology

1979-01-31

Lagrangian formulation based on the HEMP method and has been adapted and validated for treatment of normal-incidence (axisymmetric) impact and...code, is a detailed analysis of the structural response of the EPW. This analysis is generated using a nonlinear dynamic, elastic- plastic finite element...based on the HEMP scheme. Thus, the code has the same material modeling capabilities and abilities to track large scale motion found in the WAVE-L code

Design and fabrication of brayton cycle solar heat receiver

NASA Technical Reports Server (NTRS)

Mendelson, I.

1971-01-01

A detail design and fabrication of a solar heat receiver using lithium fluoride as the heat storage material was completed. A gas flow analysis was performed to achieve uniform flow distribution within overall pressure drop limitations. Structural analyses and allowable design criteria were developed for anticipated environments such as launch, pressure containment, and thermal cycling. A complete heat receiver assembly was fabricated almost entirely from the refractory alloy, niobium-1% zirconium.

Tradeoffs in manipulator structure and control. Part 4: Flexible manipulator analysis program. [user manual

NASA Technical Reports Server (NTRS)

Book, W. J.

1974-01-01

The Flexible Manipulator Analysis Program (FMAP) is a collection of FORTRAN coding to allow easy analysis of the flexible dynamics of mechanical arms. The user specifies the arm configuration and parameters and any or all of several frequency domain analyses to be performed, while the time domain impulse response is obtained by inverse Fourier transformation of the frequency response. A detailed explanation of how to use FMAP is provided.

Epidemic patch models applied to pandemic influenza: contact matrix, stochasticity, robustness of predictions.

PubMed

Lunelli, Antonella; Pugliese, Andrea; Rizzo, Caterina

2009-07-01

Due to the recent emergence of H5N1 virus, the modelling of pandemic influenza has become a relevant issue. Here we present an SEIR model formulated to simulate a possible outbreak in Italy, analysing its structure and, more generally, the effect of including specific details into a model. These details regard population heterogeneities, such as age and spatial distribution, as well as stochasticity, that regulates the epidemic dynamics when the number of infectives is low. We discuss and motivate the specific modelling choices made when building the model and investigate how the model details influence the predicted dynamics. Our analysis may help in deciding which elements of complexity are worth including in the design of a deterministic model for pandemic influenza, in a balance between, on the one hand, keeping the model computationally efficient and the number of parameters low and, on the other hand, maintaining the necessary realistic features.

Structural characterization of terrestrial microbial Mn oxides from Pinal Creek, AZ

USGS Publications Warehouse

Bargar, J.R.; Fuller, C.C.; Marcus, M.A.; Brearley, A.J.; Perez De la Rosa, M.; Webb, S.M.; Caldwell, W.A.

2009-01-01

The microbial catalysis of Mn(II) oxidation is believed to be a dominant source of abundant sorption- and redox-active Mn oxides in marine, freshwater, and subsurface aquatic environments. In spite of their importance, environmental oxides of known biogenic origin have generally not been characterized in detail from a structural perspective. Hyporheic zone Mn oxide grain coatings at Pinal Creek, Arizona, a metals-contaminated stream, have been identified as being dominantly microbial in origin and are well studied from bulk chemistry and contaminant hydrology perspectives. This site thus presents an excellent opportunity to study the structures of terrestrial microbial Mn oxides in detail. XRD and EXAFS measurements performed in this study indicate that the hydrated Pinal Creek Mn oxide grain coatings are layer-type Mn oxides with dominantly hexagonal or pseudo-hexagonal layer symmetry. XRD and TEM measurements suggest the oxides to be nanoparticulate plates with average dimensions on the order of 11 nm thick ?? 35 nm diameter, but with individual particles exhibiting thickness as small as a single layer and sheets as wide as 500 nm. The hydrated oxides exhibit a 10-?? basal-plane spacing and turbostratic disorder. EXAFS analyses suggest the oxides contain layer Mn(IV) site vacancy defects, and layer Mn(III) is inferred to be present, as deduced from Jahn-Teller distortion of the local structure. The physical geometry and structural details of the coatings suggest formation within microbial biofilms. The biogenic Mn oxides are stable with respect to transformation into thermodynamically more stable phases over a time scale of at least 5 months. The nanoparticulate layered structural motif, also observed in pure culture laboratory studies, appears to be characteristic of biogenic Mn oxides and may explain the common occurrence of this mineral habit in soils and sediments. ?? 2008 Elsevier Ltd.

Space Station Freedom electric power system availability study

NASA Technical Reports Server (NTRS)

Turnquist, Scott R.

1990-01-01

The results are detailed of follow-on availability analyses performed on the Space Station Freedom electric power system (EPS). The scope includes analyses of several EPS design variations, these are: the 4-photovoltaic (PV) module baseline EPS design, a 6-PV module EPS design, and a 3-solar dynamic module EPS design which included a 10 kW PV module. The analyses performed included: determining the discrete power levels that the EPS will operate at upon various component failures and the availability of each of these operating states; ranking EPS components by the relative contribution each component type gives to the power availability of the EPS; determining the availability impacts of including structural and long-life EPS components in the availability models used in the analyses; determining optimum sparing strategies, for storing space EPS components on-orbit, to maintain high average-power-capability with low lift-mass requirements; and analyses to determine the sensitivity of EPS-availability to uncertainties in the component reliability and maintainability data used.

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

PubMed Central

Wolters, Lando P; Bickelhaupt, F Matthias

2012-01-01

We have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A− and the analogous hydrogen-bonded complexes DH⋅⋅⋅A− (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth-order regular approximation ZORA-BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stability can be inferred over a large range of systems. The main objective was to achieve a detailed understanding of the nature of halogen bonds, how they resemble, and also how they differ from, the better understood hydrogen bonds. Thus, we present an accurate physical model of the halogen bond based on quantitative Kohn–Sham molecular orbital (MO) theory, energy decomposition analyses (EDA) and Voronoi deformation density (VDD) analyses of the charge distribution. It appears that the halogen bond in DX⋅⋅⋅A− arises not only from classical electrostatic attraction but also receives substantial stabilization from HOMO–LUMO interactions between the lone pair of A− and the σ* orbital of D–X. PMID:24551497

Neutronic design studies of a conceptual DCLL fusion reactor for a DEMO and a commercial power plant

NASA Astrophysics Data System (ADS)

Palermo, I.; Veredas, G.; Gómez-Ros, J. M.; Sanz, J.; Ibarra, A.

2016-01-01

Neutronic analyses or, more widely, nuclear analyses have been performed for the development of a dual-coolant He/LiPb (DCLL) conceptual design reactor. A detailed three-dimensional (3D) model has been examined and optimized. The design is based on the plasma parameters and functional materials of the power plant conceptual studies (PPCS) model C. The initial radial-build for the detailed model has been determined according to the dimensions established in a previous work on an equivalent simplified homogenized reactor model. For optimization purposes, the initial specifications established over the simplified model have been refined on the detailed 3D design, modifying material and dimension of breeding blanket, shield and vacuum vessel in order to fulfil the priority requirements of a fusion reactor in terms of the fundamental neutronic responses. Tritium breeding ratio, energy multiplication factor, radiation limits in the TF coils, helium production and displacements per atom (dpa) have been calculated in order to demonstrate the functionality and viability of the reactor design in guaranteeing tritium self-sufficiency, power efficiency, plasma confinement, and re-weldability and structural integrity of the components. The paper describes the neutronic design improvements of the DCLL reactor, obtaining results for both DEMO and power plant operational scenarios.

SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files.

PubMed

Gupta, Parth Sarthi Sen; Mondal, Sudipta; Mondal, Buddhadev; Islam, Rifat Nawaz Ul; Banerjee, Shyamashree; Bandyopadhyay, Amal K

2014-01-01

Salt-bridge and network salt-bridge are specific electrostatic interactions that contribute to the overall stability of proteins. In hierarchical protein folding model, these interactions play crucial role in nucleation process. The advent and growth of protein structure database and its availability in public domain made an urgent need for context dependent rapid analysis of salt-bridges. While these analyses on single protein is cumbersome and time-consuming, batch analyses need efficient software for rapid topological scan of a large number of protein for extracting details on (i) fraction of salt-bridge residues (acidic and basic). (ii) Chain specific intra-molecular salt-bridges, (iii) inter-molecular salt-bridges (protein-protein interactions) in all possible binary combinations (iv) network salt-bridges and (v) secondary structure distribution of salt-bridge residues. To the best of our knowledge, such efficient software is not available in public domain. At this juncture, we have developed a program i.e. SBION which can perform all the above mentioned computations for any number of protein with any number of chain at any given distance of ion-pair. It is highly efficient, fast, error-free and user friendly. Finally we would say that our SBION indeed possesses potential for applications in the field of structural and comparative bioinformatics studies. SBION is freely available for non-commercial/academic institutions on formal request to the corresponding author (akbanerjee@biotech.buruniv.ac.in).

Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures.

PubMed

Boldyreva, E V; Shakhtshneider, T P; Vasilchenko, M A; Ahsbahs, H; Uchtmann, H

2000-04-01

The anisotropy of structural distortion of the monoclinic polymorph of acetaminophen induced by hydrostatic pressure up to 4.0 GPa was studied by single-crystal X-ray diffraction in a Merrill-Bassett diamond anvil cell (DAC). The space group (P2(1)/n) and the general structural pattern remained unchanged with pressure. Despite the overall decrease in the molar volume with pressure, the structure expanded in particular crystallographic directions. One of the linear cell parameters (c) passed through a minimum as the pressure increased. The intramolecular bond lengths changed only slightly with pressure, but the changes in the dihedral and torsion angles were very large. The compressibility of the intermolecular hydrogen bonds NH...O and OH...O was measured. NH...O bonds were shown to be slightly more compressible than OH...O bonds. The anisotropy of structural distortion was analysed in detail in relation to the pressure-induced changes in the molecular conformations, to the compression of the hydrogen-bond network, and to the changes in the orientation of molecules with respect to each other in the pleated sheets in the structure. Dirichlet domains were calculated in order to analyse the relative shifts of the centroids of the hydrogen-bonded cycles and of the centroids of the benzene rings with pressure.

Feasibility model of a high reliability five-year tape transport. Volume 3: Appendices. [detailed drawing and analytical tools used in analyses

NASA Technical Reports Server (NTRS)

Meyers, A. P.; Davidson, W. A.; Gortowski, R. C.

1973-01-01

Detailed drawings of the five year tape transport are presented. Analytical tools used in the various analyses are described. These analyses include: tape guidance, tape stress over crowned rollers, tape pack stress program, response (computer) program, and control system electronics description.

Australian Aboriginal Geomythology: Eyewitness Accounts of Cosmic Impacts?

NASA Astrophysics Data System (ADS)

Hamacher, Duane W.; Norris, Ray P.

2009-12-01

Descriptions of cosmic impacts and meteorite falls are found throughout Australian Aboriginal oral traditions. In some cases, these texts describe the impact event in detail, sometimes citing the location, suggesting that the events were witnessed. We explore whether cosmic impacts and meteorite falls may have been witnessed by Aboriginal Australians and incorporated into their oral traditions. We discuss the complications and bias in recording and analysing oral texts but suggest that these texts may be used both to locate new impact structures or meteorites and model observed impact events. We find that, while detailed Aboriginal descriptions of cosmic impacts are abundant in the literature, there is currently no physical evidence connecting these accounts to impact events currently known to Western science.

The Use of the STAGS Finite Element Code in Stitched Structures Development

NASA Technical Reports Server (NTRS)

Jegley, Dawn C.; Lovejoy, Andrew E.

2014-01-01

In the last 30 years NASA has worked in collaboration with industry to develop enabling technologies needed to make aircraft more fuel-efficient and more affordable. The focus on the airframe has been to reduce weight, improve damage tolerance and better understand structural behavior under realistic flight and ground loading conditions. Stitched structure is a technology that can address the weight savings, cost reduction, and damage tolerance goals, but only if it is supported by accurate analytical techniques. Development of stitched technology began in the 1990's as a partnership between NASA and Boeing (McDonnell Douglas at the time) under the Advanced Composites Technology Program and has continued under various titles and programs and into the Environmentally Responsible Aviation Project today. These programs contained development efforts involving manufacturing development, design, detailed analysis, and testing. Each phase of development, from coupons to large aircraft components was supported by detailed analysis to prove that the behavior of these structures was well-understood and predictable. The Structural Analysis of General Shells (STAGS) computer code was a critical tool used in the development of many stitched structures. As a key developer of STAGS, Charles Rankin's contribution to the programs was quite significant. Key features of STAGS used in these analyses and discussed in this paper include its accurate nonlinear and post-buckling capabilities, its ability to predict damage growth, and the use of Lagrange constraints and follower forces.

Receiver Function Imaging of Crust and Uppermost Mantle Structure beneath the Japan Islands -Inclusion of Hi-net Data-

NASA Astrophysics Data System (ADS)

Yamauchi, M.; Hirahara, K.; Shibutani, T.

2001-12-01

We are examining a large number of teleseismic waveforms observed at stations closely distributed over the Japan Islands to construct body-wave waveform tomography data for determining 3-D crust and upper mantle structure including velocity discontinuities. As one of preparatory studies toward this final goal, we are executing array analyses of Receiver Functions (RF). RF analyses of J-array data ( 32 broad band stations and 269 short period stations ) and Freesia data ( 15 broad band stations ), whose stations are closely distributed, have provided us with new information on the structure including velocity discontinuities beneath the Japan Islands (Tada et al, 2001). In their study, for crustal imaging, RFs transformed from time to depth domain after SVD filtering ( Chevrot and Giardin, 2000 ) are projected onto 2-D profiles, which show average values for cells within +/- 50km from each cross section. However, this cell size does not satisfy our demand to draw the detailed image beneath the Japan Islands. In addition, J-array short period RFs available for the analyses are limited because of high frequency noises. In this research, Hi-net data (short period), whose stations are far more closely distributed, are newly included into our data. We make RF image with α =3 of short period J-array data and Hi-net data for events observed during a period from September, 2000 to July, 2001 with the magnitudes larger than 5.5. The total number of the stations with their average spacing of 10km is about 800 (J-array; 270, Hi-net; 500), which enables to reduce the cell size to +/- 20km at most. We show a new 3-D RF image of the crust and the uppermost mantle, whose best spatial resolution is reaching less than 5km. Therefore we can obtain much more detailed 3-D RF image beneath the whole Japan Islands.

AB INITIO Investigations of the Magnetism in Diluted Magnetic Semiconductor Fe-DOPED GaN

NASA Astrophysics Data System (ADS)

Cheng, Jie; Zhou, Jing; Xu, Wei; Dong, Peng

2014-01-01

In this paper, we present a first principle investigation on Fe-doped GaN with wurtzite and zinc-blend structure using full potential density functional calculations. Data point out that the magnetic behavior of Fe-doped GaN system is strongly dependent on Fe doping configurations. In agreement with the experimental reports, and independently by doping, antiferromagnetism occurs in the zinc-blend structure, while in the wurtzite structure ferromagnetism depends on the Fe doping configurations. Detailed analyses combined with density of state calculations support the assignment that the ferromagnetism is closely related to the impurity band at the origin of the hybridization of Fe 3d and N 2p states in the Fe-doped GaN of wurtzite phase.

The multi-disciplinary design study: A life cycle cost algorithm

NASA Technical Reports Server (NTRS)

Harding, R. R.; Pichi, F. J.

1988-01-01

The approach and results of a Life Cycle Cost (LCC) analysis of the Space Station Solar Dynamic Power Subsystem (SDPS) including gimbal pointing and power output performance are documented. The Multi-Discipline Design Tool (MDDT) computer program developed during the 1986 study has been modified to include the design, performance, and cost algorithms for the SDPS as described. As with the Space Station structural and control subsystems, the LCC of the SDPS can be computed within the MDDT program as a function of the engineering design variables. Two simple examples of MDDT's capability to evaluate cost sensitivity and design based on LCC are included. MDDT was designed to accept NASA's IMAT computer program data as input so that IMAT's detailed structural and controls design capability can be assessed with expected system LCC as computed by MDDT. No changes to IMAT were required. Detailed knowledge of IMAT is not required to perform the LCC analyses as the interface with IMAT is noninteractive.

The internal structure of ZZ Cet stars using quantitative asteroseismology: The case of R548

NASA Astrophysics Data System (ADS)

Giammichele, N.; Fontaine, G.; Brassard, P.; Charpinet, S.

2014-02-01

We explore quantitatively the low but sufficient sensitivity of oscillation modes to probe both the core composition and the details of the chemical stratification of pulsating white dwarfs. Until recently, applications of asteroseismic methods to pulsating white dwarfs have been far and few, and have generally suffered from an insufficient exploration of parameter space. To remedy this situation, we apply to white dwarfs the same double-optimization technique that has been used quite successfully in the context of pulsating hot B subdwarfs. Based on the frequency spectrum of the pulsating white dwarf R548, we are able to unravel in a robust way the unique onion-like stratification and the chemical composition of the star. Independent confirmations from both spectroscopic analyses and detailed evolutionary calculations including diffusion provide crucial consistency checks and add to the credibility of the inferred seismic model. More importantly, these results boost our confidence in the reliability of the forward method for sounding white dwarf internal structure with asteroseismology.

Micro-structurally detailed model of a therapeutic hydrogel injectate in a rat biventricular cardiac geometry for computational simulations

PubMed Central

Sirry, Mazin S.; Davies, Neil H.; Kadner, Karen; Dubuis, Laura; Saleh, Muhammad G.; Meintjes, Ernesta M.; Spottiswoode, Bruce S.; Zilla, Peter; Franz, Thomas

2013-01-01

Biomaterial injection based therapies have showed cautious success in restoration of cardiac function and prevention of adverse remodelling into heart failure after myocardial infarction (MI). However, the underlying mechanisms are not well understood. Computational studies utilised simplified representations of the therapeutic myocardial injectates. Wistar rats underwent experimental infarction followed by immediate injection of polyethylene glycol hydrogel in the infarct region. Hearts were explanted, cryo-sectioned and the region with the injectate histologically analysed. Histological micrographs were used to reconstruct the dispersed hydrogel injectate. Cardiac magnetic resonance imaging (CMRI) data from a healthy rat were used to obtain an end-diastolic biventricular geometry which was subsequently adjusted and combined with the injectate model. The computational geometry of the injectate exhibited microscopic structural details found the in situ. The combination of injectate and cardiac geometry provides realistic geometries for multiscale computational studies of intra-myocardial injectate therapies for the rat model that has been widely used for MI research. PMID:23682845

Advanced composite aileron for L-1011 transport aircraft: Design and analysis

NASA Technical Reports Server (NTRS)

Griffin, C. F.; Fogg, L. D.; Dunning, E. G.

1981-01-01

Detail design of the composite aileron has been completed. The aileron design is a multi-rib configuration with single piece upper and lower covers mechanically fastened to the substructure. Covers, front, spar and ribs are fabricated with graphite/epoxy tape or fabric composite material. The design has a weight savings of 23 percent compared to the aluminum aileron. The composite aileron has 50 percent fewer fasteners and parts than the metal aileron and is predicted to be cost competitive. Structural integrity of the composite aileron was verified by structural analysis and an extensive test program. Static, failsafe, and vibration analyses have been conducted on the composite aileron using finite element models and specialized computer programs for composite material laminates. The fundamental behavior of the composite materials used in the aileron was determined by coupon tests for a variety of environmental conditions. Critical details of the design were interrogated by static and fatigue tests on full-scale subcomponents and subassemblies of the aileron.

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

PubMed Central

2011-01-01

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

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

PubMed

Baussand, Julie; Camproux, Anne-Claude

2011-02-01

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

Antimicrobial constituents from the tubers of Bletilla ochracea.

PubMed

Yang, Xinzhou; Tang, Chunping; Zhao, Ping; Shu, Guangwen; Mei, Zhinan

2012-04-01

A new 2-(2-methylpropyl)butanedioic acid derivative, bletillin A ( 1), and a new bibenzyl, bletillin B ( 2), together with seventeen known compounds ( 3- 19), were isolated from the tubers of Bletilla ochracea Schltr. Their structures were established by detailed spectroscopic analyses. Phenanthrenes ( 12- 14) exhibited antibacterial activities against gram-positive bacteria Staphylococcus aureus, S. epidermidis, and Bacillus subtilis, with MIC values of 12.5-25 µg/mL. © Georg Thieme Verlag KG Stuttgart · New York.

On the structure and phase transitions of power-law Poissonian ensembles

NASA Astrophysics Data System (ADS)

Eliazar, Iddo; Oshanin, Gleb

2012-10-01

Power-law Poissonian ensembles are Poisson processes that are defined on the positive half-line, and that are governed by power-law intensities. Power-law Poissonian ensembles are stochastic objects of fundamental significance; they uniquely display an array of fractal features and they uniquely generate a span of important applications. In this paper we apply three different methods—oligarchic analysis, Lorenzian analysis and heterogeneity analysis—to explore power-law Poissonian ensembles. The amalgamation of these analyses, combined with the topology of power-law Poissonian ensembles, establishes a detailed and multi-faceted picture of the statistical structure and the statistical phase transitions of these elemental ensembles.

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

NASA Technical Reports Server (NTRS)

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

1974-01-01

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

@neurIST complex information processing toolchain for the integrated management of cerebral aneurysms

PubMed Central

Villa-Uriol, M. C.; Berti, G.; Hose, D. R.; Marzo, A.; Chiarini, A.; Penrose, J.; Pozo, J.; Schmidt, J. G.; Singh, P.; Lycett, R.; Larrabide, I.; Frangi, A. F.

2011-01-01

Cerebral aneurysms are a multi-factorial disease with severe consequences. A core part of the European project @neurIST was the physical characterization of aneurysms to find candidate risk factors associated with aneurysm rupture. The project investigated measures based on morphological, haemodynamic and aneurysm wall structure analyses for more than 300 cases of ruptured and unruptured aneurysms, extracting descriptors suitable for statistical studies. This paper deals with the unique challenges associated with this task, and the implemented solutions. The consistency of results required by the subsequent statistical analyses, given the heterogeneous image data sources and multiple human operators, was met by a highly automated toolchain combined with training. A testimonial of the successful automation is the positive evaluation of the toolchain by over 260 clinicians during various hands-on workshops. The specification of the analyses required thorough investigations of modelling and processing choices, discussed in a detailed analysis protocol. Finally, an abstract data model governing the management of the simulation-related data provides a framework for data provenance and supports future use of data and toolchain. This is achieved by enabling the easy modification of the modelling approaches and solution details through abstract problem descriptions, removing the need of repetition of manual processing work. PMID:22670202

Use of a Passive Reaction Wheel Jitter Isolation System to Meet the Advanced X-Ray Astrophysics Facility Imaging Performance Requirements

NASA Technical Reports Server (NTRS)

Pendergast, Karl J.; Schauwecker, Christopher J.

1998-01-01

Third in the series of NASA great observatories, the Advanced X-Ray Astrophysics Facility (AXAF) is scheduled for launch from the Space Shuttle in November of 1998. Following in the path of the Hubble Space Telescope and the Compton Gamma Ray Observatory, this observatory will image light at X-ray wavelengths, facilitating the detailed study of such phenomena as supernovae and quasars. The AXAF project is sponsored by the Marshall Space Flight Center in Huntsville, Alabama. Because of exacting requirements on the performance of the AXAF optical system, it was necessary to reduce the transmission of reaction wheel jitter disturbances to the observatory. This reduction was accomplished via use of a passive mechanical isolation system to interface the reaction wheels with the spacecraft central structure. In addition to presenting a description of the spacecraft, the isolation system, and the key image quality requirement flowdown, this paper details the analyses performed in support of system-level imaging performance requirement verification. These analyses include the identification of system-level requirement suballocations, quantification of imaging and pointing performance, and formulation of unit-level isolation system transmissibility requirements. Given in comparison to the non-isolated system imaging performance, the results of these analyses clearly illustrate the effectiveness of an innovative reaction wheel passive isolation system.

The Active for Life Year 5 (AFLY5) school-based cluster randomised controlled trial protocol: detailed statistical analysis plan.

PubMed

Lawlor, Debbie A; Peters, Tim J; Howe, Laura D; Noble, Sian M; Kipping, Ruth R; Jago, Russell

2013-07-24

The Active For Life Year 5 (AFLY5) randomised controlled trial protocol was published in this journal in 2011. It provided a summary analysis plan. This publication is an update of that protocol and provides a detailed analysis plan. This update provides a detailed analysis plan of the effectiveness and cost-effectiveness of the AFLY5 intervention. The plan includes details of how variables will be quality control checked and the criteria used to define derived variables. Details of four key analyses are provided: (a) effectiveness analysis 1 (the effect of the AFLY5 intervention on primary and secondary outcomes at the end of the school year in which the intervention is delivered); (b) mediation analyses (secondary analyses examining the extent to which any effects of the intervention are mediated via self-efficacy, parental support and knowledge, through which the intervention is theoretically believed to act); (c) effectiveness analysis 2 (the effect of the AFLY5 intervention on primary and secondary outcomes 12 months after the end of the intervention) and (d) cost effectiveness analysis (the cost-effectiveness of the AFLY5 intervention). The details include how the intention to treat and per-protocol analyses were defined and planned sensitivity analyses for dealing with missing data. A set of dummy tables are provided in Additional file 1. This detailed analysis plan was written prior to any analyst having access to any data and was approved by the AFLY5 Trial Steering Committee. Its publication will ensure that analyses are in accordance with an a priori plan related to the trial objectives and not driven by knowledge of the data. ISRCTN50133740.

The Scottish Structural Proteomics Facility: targets, methods and outputs

PubMed Central

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

2010-01-01

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

Recent Advances in Characterization of Lignin Polymer by Solution-State Nuclear Magnetic Resonance (NMR) Methodology

PubMed Central

Wen, Jia-Long; Sun, Shao-Long; Xue, Bai-Liang; Sun, Run-Cang

2013-01-01

The demand for efficient utilization of biomass induces a detailed analysis of the fundamental chemical structures of biomass, especially the complex structures of lignin polymers, which have long been recognized for their negative impact on biorefinery. Traditionally, it has been attempted to reveal the complicated and heterogeneous structure of lignin by a series of chemical analyses, such as thioacidolysis (TA), nitrobenzene oxidation (NBO), and derivatization followed by reductive cleavage (DFRC). Recent advances in nuclear magnetic resonance (NMR) technology undoubtedly have made solution-state NMR become the most widely used technique in structural characterization of lignin due to its versatility in illustrating structural features and structural transformations of lignin polymers. As one of the most promising diagnostic tools, NMR provides unambiguous evidence for specific structures as well as quantitative structural information. The recent advances in two-dimensional solution-state NMR techniques for structural analysis of lignin in isolated and whole cell wall states (in situ), as well as their applications are reviewed. PMID:28809313

Scaling and universality in urban economic diversification.

PubMed

Youn, Hyejin; Bettencourt, Luís M A; Lobo, José; Strumsky, Deborah; Samaniego, Horacio; West, Geoffrey B

2016-01-01

Understanding cities is central to addressing major global challenges from climate change to economic resilience. Although increasingly perceived as fundamental socio-economic units, the detailed fabric of urban economic activities is only recently accessible to comprehensive analyses with the availability of large datasets. Here, we study abundances of business categories across US metropolitan statistical areas, and provide a framework for measuring the intrinsic diversity of economic activities that transcends scales of the classification scheme. A universal structure common to all cities is revealed, manifesting self-similarity in internal economic structure as well as aggregated metrics (GDP, patents, crime). We present a simple mathematical derivation of the universality, and provide a model, together with its economic implications of open-ended diversity created by urbanization, for understanding the observed empirical distribution. Given the universal distribution, scaling analyses for individual business categories enable us to determine their relative abundances as a function of city size. These results shed light on the processes of economic differentiation with scale, suggesting a general structure for the growth of national economies as integrated urban systems. © 2016 The Authors.

Scaling and universality in urban economic diversification

PubMed Central

Bettencourt, Luís M. A.; Lobo, José; Strumsky, Deborah; Samaniego, Horacio; West, Geoffrey B.

2016-01-01

Understanding cities is central to addressing major global challenges from climate change to economic resilience. Although increasingly perceived as fundamental socio-economic units, the detailed fabric of urban economic activities is only recently accessible to comprehensive analyses with the availability of large datasets. Here, we study abundances of business categories across US metropolitan statistical areas, and provide a framework for measuring the intrinsic diversity of economic activities that transcends scales of the classification scheme. A universal structure common to all cities is revealed, manifesting self-similarity in internal economic structure as well as aggregated metrics (GDP, patents, crime). We present a simple mathematical derivation of the universality, and provide a model, together with its economic implications of open-ended diversity created by urbanization, for understanding the observed empirical distribution. Given the universal distribution, scaling analyses for individual business categories enable us to determine their relative abundances as a function of city size. These results shed light on the processes of economic differentiation with scale, suggesting a general structure for the growth of national economies as integrated urban systems. PMID:26790997

Fault zone characterization using P- and S-waves

NASA Astrophysics Data System (ADS)

Wawerzinek, Britta; Buness, Hermann; Polom, Ulrich; Tanner, David C.; Thomas, Rüdiger

2014-05-01

Although deep fault zones have high potential for geothermal energy extraction, their real usability depends on complex lithological and tectonic factors. Therefore a detailed fault zone exploration using P- and S-wave reflection seismic data is required. P- and S-wave reflection seismic surveys were carried out along and across the eastern border of the Leinetal Graben in Lower Saxony, Germany, to analyse the structural setting, different reflection characteristics and possible anisotropic effects. In both directions the P-wave reflection seismic measurements show a detailed and complex structure. This structure was developed during several tectonic phases and comprises both steeply- and shallowly-dipping faults. In a profile perpendicular to the graben, a strong P-wave reflector is interpreted as shallowly west-dipping fault that is traceable from the surface down to 500 m depth. It is also detectable along the graben. In contrast, the S-waves show different reflection characteristics: There is no indication of the strong P-wave reflector in the S-wave reflection seismic measurements - neither across nor along the graben. Only diffuse S-wave reflections are observable in this region. Due to the higher resolution of S-waves in the near-surface area it is possible to map structures which cannot be detected in P-wave reflection seismic, e.g the thinning of the uppermost Jurassic layer towards the south. In the next step a petrophysical analysis will be conducted by using seismic FD modelling to a) determine the cause (lithological, structural, or a combination of both) of the different reflection characteristics of P- and S-waves, b) characterize the fault zone, as well as c) analyse the influence of different fault zone properties on the seismic wave field. This work is part of the gebo collaborative research programme which is funded by the 'Niedersächsisches Ministerium für Wissenschaft und Kultur' and Baker Hughes.

Human Milk Contains Novel Glycans That Are Potential Decoy Receptors for Neonatal Rotaviruses*

PubMed Central

Yu, Ying; Lasanajak, Yi; Song, Xuezheng; Hu, Liya; Ramani, Sasirekha; Mickum, Megan L.; Ashline, David J.; Prasad, B. V. Venkataram; Estes, Mary K.; Reinhold, Vernon N.; Cummings, Richard D.; Smith, David F.

2014-01-01

Human milk contains a rich set of soluble, reducing glycans whose functions and bioactivities are not well understood. Because human milk glycans (HMGs) have been implicated as receptors for various pathogens, we explored the functional glycome of human milk using shotgun glycomics. The free glycans from pooled milk samples of donors with mixed Lewis and Secretor phenotypes were labeled with a fluorescent tag and separated via multidimensional HPLC to generate a tagged glycan library containing 247 HMG targets that were printed to generate the HMG shotgun glycan microarray (SGM). To investigate the potential role of HMGs as decoy receptors for rotavirus (RV), a leading cause of severe gastroenteritis in children, we interrogated the HMG SGM with recombinant forms of VP8* domains of the RV outer capsid spike protein VP4 from human neonatal strains N155(G10P[11]) and RV3(G3P[6]) and a bovine strain, B223(G10P[11]). Glycans that were bound by RV attachment proteins were selected for detailed structural analyses using metadata-assisted glycan sequencing, which compiles data on each glycan based on its binding by antibodies and lectins before and after exo- and endo-glycosidase digestion of the SGM, coupled with independent MSn analyses. These complementary structural approaches resulted in the identification of 32 glycans based on RV VP8* binding, many of which are novel HMGs, whose detailed structural assignments by MSn are described in a companion report. Although sialic acid has been thought to be important as a surface receptor for RVs, our studies indicated that sialic acid is not required for binding of glycans to individual VP8* domains. Remarkably, each VP8* recognized specific glycan determinants within a unique subset of related glycan structures where specificity differences arise from subtle differences in glycan structures. PMID:25048705

In-cell RNA structure probing with SHAPE-MaP.

PubMed

Smola, Matthew J; Weeks, Kevin M

2018-06-01

This protocol is an extension to: Nat. Protoc. 10, 1643-1669 (2015); doi:10.1038/nprot.2015.103; published online 01 October 2015RNAs play key roles in many cellular processes. The underlying structure of RNA is an important determinant of how transcripts function, are processed, and interact with RNA-binding proteins and ligands. RNA structure analysis by selective 2'-hydroxyl acylation analyzed by primer extension (SHAPE) takes advantage of the reactivity of small electrophilic chemical probes that react with the 2'-hydroxyl group to assess RNA structure at nucleotide resolution. When coupled with mutational profiling (MaP), in which modified nucleotides are detected as internal miscodings during reverse transcription and then read out by massively parallel sequencing, SHAPE yields quantitative per-nucleotide measurements of RNA structure. Here, we provide an extension to our previous in vitro SHAPE-MaP protocol with detailed guidance for undertaking and analyzing SHAPE-MaP probing experiments in live cells. The MaP strategy works for both abundant-transcriptome experiments and for cellular RNAs of low to moderate abundance, which are not well examined by whole-transcriptome methods. In-cell SHAPE-MaP, performed in roughly 3 d, can be applied in cell types ranging from bacteria to cultured mammalian cells and is compatible with a variety of structure-probing reagents. We detail several strategies by which in-cell SHAPE-MaP can inform new biological hypotheses and emphasize downstream analyses that reveal sequence or structure motifs important for RNA interactions in cells.

METAShield: Hot Metallic Aeroshell Concept for RLV/SOV

NASA Technical Reports Server (NTRS)

Scotti, Stephen J.; Poteet, Carl C.; Daryabeigi, Kamran; Nowak, Robert J.; Hsu, Su-Yuen; Schmidt, Irvin H.; Ku, Shih-Huei P.

2003-01-01

An innovative fuselage design approach that combines many desirable operational features with a simple and efficient structural approach is being developed by NASA. The approach, named METAShield for MEtallic TransAtmospheric Shield, utilizes lightly loaded, hot aeroshell structures surrounding integral propellant tanks that carry the primary structural loads. The aeroshells are designed to withstand the local pressure loads, transmitting them to the tanks with minimal restraint of thermal growth. No additional thermal protection system protects the METAShield, and a fibrous or multilayer insulation blanket, located in the space between the aeroshell and the tanks, serves as both high temperature and cryogenic insulation for the tanks. The concept is described in detail, and the performance and operational features are highlighted. Initial design results and analyses of the structural, thermal, and thermal-structural performance are described. Computational results evaluating resistance to hypervelocity impact damage, as well as some supporting aerothermal wind tunnel results. are also presented. Future development needs are summarized.

Impact of Operating Context on the Use of Structure in Air Traffic Controller Cognitive Processes

NASA Technical Reports Server (NTRS)

Davison, Hayley J.; Histon, Jonathan M.; Ragnarsdottir, Margret Dora; Major, Laura M.; Hansman, R. John

2004-01-01

This paper investigates the influence of structure on air traffic controllers cognitive processes in the TRACON, En Route, and Oceanic environments. Radar data and voice command analyses were conducted to support hypotheses generated through observations and interviews conducted at the various facilities. Three general types of structure-based abstractions (standard flows, groupings, and critical points) have been identified as being used in each context, though the details of their application varied in accordance with the constraints of the particular operational environment. Projection emerged as a key cognitive process aided by the structure-based abstractions, and there appears to be a significant difference between how time-based versus spatial-based projection is performed by controllers. It is recommended that consideration be given to the value provided by the structure-based abstractions to the controller as well as to maintain consistency between the type (time or spatial) of information support provided to the controller.

Subnanometre-resolution structure of the doublet microtubule reveals new classes of microtubule-associated proteins

PubMed Central

Ichikawa, Muneyoshi; Liu, Dinan; Kastritis, Panagiotis L.; Basu, Kaustuv; Hsu, Tzu Chin; Yang, Shunkai; Bui, Khanh Huy

2017-01-01

Cilia are ubiquitous, hair-like appendages found in eukaryotic cells that carry out functions of cell motility and sensory reception. Cilia contain an intriguing cytoskeletal structure, termed the axoneme that consists of nine doublet microtubules radially interlinked and longitudinally organized in multiple specific repeat units. Little is known, however, about how the axoneme allows cilia to be both actively bendable and sturdy or how it is assembled. To answer these questions, we used cryo-electron microscopy to structurally analyse several of the repeating units of the doublet at sub-nanometre resolution. This structural detail enables us to unambiguously assign α- and β-tubulins in the doublet microtubule lattice. Our study demonstrates the existence of an inner sheath composed of different kinds of microtubule inner proteins inside the doublet that likely stabilizes the structure and facilitates the specific building of the B-tubule. PMID:28462916

PDB@: an offline toolkit for exploration and analysis of PDB files.

PubMed

Mani, Udayakumar; Ravisankar, Sadhana; Ramakrishnan, Sai Mukund

2013-12-01

Protein Data Bank (PDB) is a freely accessible archive of the 3-D structural data of biological molecules. Structure based studies offers a unique vantage point in inferring the properties of a protein molecule from structural data. This is too big a task to be done manually. Moreover, there is no single tool, software or server that comprehensively analyses all structure-based properties. The objective of the present work is to develop an offline computational toolkit, PDB@ containing in-built algorithms that help categorizing the structural properties of a protein molecule. The user has the facility to view and edit the PDB file to his need. Some features of the present work are unique in itself and others are an improvement over existing tools. Also, the representation of protein properties in both graphical and textual formats helps in predicting all the necessary details of a protein molecule on a single platform.

Aggregating Data for Computational Toxicology Applications ...

EPA Pesticide Factsheets

Computational toxicology combines data from high-throughput test methods, chemical structure analyses and other biological domains (e.g., genes, proteins, cells, tissues) with the goals of predicting and understanding the underlying mechanistic causes of chemical toxicity and for predicting toxicity of new chemicals and products. A key feature of such approaches is their reliance on knowledge extracted from large collections of data and data sets in computable formats. The U.S. Environmental Protection Agency (EPA) has developed a large data resource called ACToR (Aggregated Computational Toxicology Resource) to support these data-intensive efforts. ACToR comprises four main repositories: core ACToR (chemical identifiers and structures, and summary data on hazard, exposure, use, and other domains), ToxRefDB (Toxicity Reference Database, a compilation of detailed in vivo toxicity data from guideline studies), ExpoCastDB (detailed human exposure data from observational studies of selected chemicals), and ToxCastDB (data from high-throughput screening programs, including links to underlying biological information related to genes and pathways). The EPA DSSTox (Distributed Structure-Searchable Toxicity) program provides expert-reviewed chemical structures and associated information for these and other high-interest public inventories. Overall, the ACToR system contains information on about 400,000 chemicals from 1100 different sources. The entire system is built usi

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.

Structural diversity in the dandelion (Taraxacum officinale) polyphenol oxidase family results in different responses to model substrates.

PubMed

Dirks-Hofmeister, Mareike E; Singh, Ratna; Leufken, Christine M; Inlow, Jennifer K; Moerschbacher, Bruno M

2014-01-01

Polyphenol oxidases (PPOs) are ubiquitous type-3 copper enzymes that catalyze the oxygen-dependent conversion of o-diphenols to the corresponding quinones. In most plants, PPOs are present as multiple isoenzymes that probably serve distinct functions, although the precise relationship between sequence, structure and function has not been addressed in detail. We therefore compared the characteristics and activities of recombinant dandelion PPOs to gain insight into the structure-function relationships within the plant PPO family. Phylogenetic analysis resolved the 11 isoenzymes of dandelion into two evolutionary groups. More detailed in silico and in vitro analyses of four representative PPOs covering both phylogenetic groups were performed. Molecular modeling and docking predicted differences in enzyme-substrate interactions, providing a structure-based explanation for grouping. One amino acid side chain positioned at the entrance to the active site (position HB2+1) potentially acts as a "selector" for substrate binding. In vitro activity measurements with the recombinant, purified enzymes also revealed group-specific differences in kinetic parameters when the selected PPOs were presented with five model substrates. The combination of our enzyme kinetic measurements and the in silico docking studies therefore indicate that the physiological functions of individual PPOs might be defined by their specific interactions with different natural substrates.

Dynamics of periodic spring-mass chain coupled with an electric transmission line

NASA Astrophysics Data System (ADS)

Belloni, Edoardo; Cenedese, Mattia; Braghin, Francesco

2017-04-01

Periodic structures have received large interest due to their peculiar behavior: they have band gaps, that is portions of the frequency response along with any wave incoming in the structure is reflected. Numerous are the applications, like metamaterials and locally resonant structures. Nowadays, new possibilities could come from mechanical periodic structures that are connected to an electrical transmission line, periodic in turn. Starting from this idea, this paper analyses ideal a mono-atomic spring-mass chain, considering the springs connected to a periodic electric network, composed by inductances (and resistors): these simple examples will show how the frequency response is affected. In particular, the mutual influence between the electric and mechanical domain is highlighted, and the contribution of parameters on band gap positioning and design is explored. Details are provided about vibration modes and wave transmission.

Structural and functional analysis of a novel psychrophilic β-mannanase from Glaciozyma antarctica PI12

NASA Astrophysics Data System (ADS)

Parvizpour, Sepideh; Razmara, Jafar; Ramli, Aizi Nor Mazila; Md Illias, Rosli; Shamsir, Mohd Shahir

2014-06-01

The structure of a novel psychrophilic β-mannanase enzyme from Glaciozyma antarctica PI12 yeast has been modelled and analysed in detail. To our knowledge, this is the first attempt to model a psychrophilic β-mannanase from yeast. To this end, a 3D structure of the enzyme was first predicted using a threading method because of the low sequence identity (<30 %) using MODELLER9v12 and simulated using GROMACS at varying low temperatures for structure refinement. Comparisons with mesophilic and thermophilic mannanases revealed that the psychrophilic mannanase contains longer loops and shorter helices, increases in the number of aromatic and hydrophobic residues, reductions in the number of hydrogen bonds and salt bridges and numerous amino acid substitutions on the surface that increased the flexibility and its efficiency for catalytic reactions at low temperatures.

Applicability of Existing C3 (Command, Control and Communications) Vulnerability and Hardness Analyses to Sentry System Issues.

DTIC Science & Technology

1983-01-13

Naval .1 Ordnance Systems Command ) codes are detailed propagation simulations mostly at lower frequencies . These are combined with WEPH code phenomenology...AD B062349L. Scope /Abstract: This report describes a simple model for predicting the loads on box-like target structures subject to air blast. A... model and applying it to targets which can be approximated by a series of rectangular parallelopipeds. In this report the physical phenomena of high

Dipole and spin-dipole strength distributions in ^{124,126,128,130} Te isotopes

NASA Astrophysics Data System (ADS)

Cakmak, Necla; Cakmak, Sadiye; Selam, Cevad; Unlu, Serdar

2018-02-01

We try to present the structure of 1- excitations in open-shell ^{124,126,128,130} Te isotopes. Electric dipole states are investigated within a translational and Galilean invariant model. Also, a theoretical description of charge-conserving spin-dipole {1}- excitations is presented for the same isotopes. The energy spectra for both kinds of excitations are analysed in detail. Furthermore, a comparison of the calculated cross-sections and energies with the available experimental data is given.

Convergence of multimodal sensory pathways to the mushroom body calyx in Drosophila melanogaster

PubMed Central

Yagi, Ryosuke; Mabuchi, Yuta; Mizunami, Makoto; Tanaka, Nobuaki K.

2016-01-01

Detailed structural analyses of the mushroom body which plays critical roles in olfactory learning and memory revealed that it is directly connected with multiple primary sensory centers in Drosophila. Connectivity patterns between the mushroom body and primary sensory centers suggest that each mushroom body lobe processes information on different combinations of multiple sensory modalities. This finding provides a novel focus of research by Drosophila genetics for perception of the external world by integrating multisensory signals. PMID:27404960

Electron microscopy study of gold nanoparticles deposited on transition metal oxides.

PubMed

Akita, Tomoki; Kohyama, Masanori; Haruta, Masatake

2013-08-20

Many researchers have investigated the catalytic performance of gold nanoparticles (GNPs) supported on metal oxides for various catalytic reactions of industrial importance. These studies have consistently shown that the catalytic activity and selectivity depend on the size of GNPs, the kind of metal oxide supports, and the gold/metal oxide interface structure. Although researchers have proposed several structural models for the catalytically active sites and have identified the specific electronic structures of GNPs induced by the quantum effect, recent experimental and theoretical studies indicate that the perimeter around GNPs in contact with the metal oxide supports acts as an active site in many reactions. Thus, it is of immense importance to investigate the detailed structures of the perimeters and the contact interfaces of gold/metal oxide systems by using electron microscopy at an atomic scale. This Account describes our investigation, at the atomic scale using electron microscopy, of GNPs deposited on metal oxides. In particular, high-resolution transmission electron microscopy (HRTEM) and high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) are valuable tools to observe local atomic structures, as has been successfully demonstrated for various nanoparticles, surfaces, and material interfaces. TEM can be applied to real powder catalysts as received without making special specimens, in contrast to what is typically necessary to observe bulk materials. For precise structure analyses at an atomic scale, model catalysts prepared by using well-defined single-crystalline substrates are also adopted for TEM observations. Moreover, aberration-corrected TEM, which has high spatial resolution under 0.1 nm, is a promising tool to observe the interface structure between GNPs and metal oxide supports including oxygen atoms at the interfaces. The oxygen atoms in particular play an important role in the behavior of gold/metal oxide interfaces, because they may participate in catalytic reaction steps. Detailed information about the interfacial structures between GNPs and metal oxides provides valuable structure models for theoretical calculations which can elucidate the local electronic structure effective for activating a reactant molecule. Based on our observations with HRTEM and HAADF-STEM, we report the detailed structure of gold/metal oxide interfaces.

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Trace fossils in diatomaceous strata of Miocene Monterey Formation: their character and implications

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

Savdra, C.E.; Bottjer, D.J.

Younger parts of the Miocene Monterey Formation are commonly characterized by relatively unaltered diatomaceous strata. A common characteristic of these deposits is the preservation of varvelike lamination, indicative of deposition under anoxic or nearly anoxic conditions. Although laminated rock types are volumetrically dominant, bioturbated intervals are by no means rare, but little attention has been paid to the trace fossils themselves. Our study of trace fossils in the Monterey Formation demonstrated the significance of these biogenic structures in paleoenvironmental and paleoecologic analyses. In particular, trace fossils provide a means for detailed reconstruction of paleo-oxygenation conditions during Monterey deposition. Trace fossilsmore » in several Monterey sections exposed in central and southern California were examined in detail. At all localities, three major ichnofossil assemblages or ichnofacies were recognized: (1) Chondrites, (2) Planolites, and (3) Thalassinoides. The size and diversity of the three major ichnofacies and their lithologic associations suggest that the distribution of these facies is controlled primarily by the level of paleo-bottom water oxygenation. The Chondrites ichnofacies represents very low paleo-oxygen levels just above the anoxic threshold. The Planolites ichnofacies, with greater variety of larger burrow types, is indicative of slightly higher levels of oxygenation. Moderately to well-oxygenated conditions are suggested by the Thalassinoides ichnofacies. More detailed information on paleoenvironmental conditions can be gleaned by applying a refined trace-fossil tiering model. When used in detailed (centimeter-scale) vertical sequence analyses, this tiering model permits the translation of data on the composition, size parameters, and cross-cutting relationships of trace-fossil assemblages into relative paleo-oxygenation curves.« less

Enhancing catalytic activity by narrowing local energy gaps--X-ray studies of a manganese water oxidation catalyst.

PubMed

Xiao, Jie; Khan, Munirah; Singh, Archana; Suljoti, Edlira; Spiccia, Leone; Aziz, Emad F

2015-03-01

Changes in the local electronic structure of the Mn 3d orbitals of a Mn catalyst derived from a dinuclear Mn(III) complex during the water oxidation cycle were investigated ex situ by X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) analyses. Detailed information about the Mn 3d orbitals, especially the local HOMO-LUMO gap on Mn sites revealed by RIXS analyses, indicated that the enhancement in catalytic activity (water oxidation) originated from the narrowing of the local HOMO-LUMO gap when electrical voltage and visible light illumination were applied simultaneously to the Mn catalytic system. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed

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

2017-01-01

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

Definition of a 5MW/61.5m wind turbine blade reference model.

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

Resor, Brian Ray

2013-04-01

A basic structural concept of the blade design that is associated with the frequently utilized %E2%80%9CNREL offshore 5-MW baseline wind turbine%E2%80%9D is needed for studies involving blade structural design and blade structural design tools. The blade structural design documented in this report represents a concept that meets basic design criteria set forth by IEC standards for the onshore turbine. The design documented in this report is not a fully vetted blade design which is ready for manufacture. The intent of the structural concept described by this report is to provide a good starting point for more detailed and targeted investigationsmore » such as blade design optimization, blade design tool verification, blade materials and structures investigations, and blade design standards evaluation. This report documents the information used to create the current model as well as the analyses used to verify that the blade structural performance meets reasonable blade design criteria.« less

Spacelab uplink/downlink data flow and formats

NASA Technical Reports Server (NTRS)

Kandefer, F.

1978-01-01

The results of an analysis of the Spacelab (SL) data uplink/downlink structure and those data system elements associated with the support of this data flow are presented. Specific objectives of this report are to present the results of the following analyses: (1) operations of the SL high rate multiplexer, including format structure, data rates, format combinations, format switching, etc.; (2) operations of SL data recorders to include the definition of modes, data rates and forms; (3) operations of the high rate demultiplexer as described above; (4) potential experiment data formats defining formatting parameters to be considered in decommutation analysis; (5) SL computer input/output (I/O) decommutation channels, including the definition of structure, quantity and use of this I/O data; (6) detailed requirements of the data quality monitoring philosophy for this function.

Recurrence Quantification of Fractal Structures

PubMed Central

Webber, Charles L.

2012-01-01

By definition, fractal structures possess recurrent patterns. At different levels repeating patterns can be visualized at higher magnifications. The purpose of this chapter is threefold. First, general characteristics of dynamical systems are addressed from a theoretical mathematical perspective. Second, qualitative and quantitative recurrence analyses are reviewed in brief, but the reader is directed to other sources for explicit details. Third, example mathematical systems that generate strange attractors are explicitly defined, giving the reader the ability to reproduce the rich dynamics of continuous chaotic flows or discrete chaotic iterations. The challenge is then posited for the reader to study for themselves the recurrent structuring of these different dynamics. With a firm appreciation of the power of recurrence analysis, the reader will be prepared to turn their sights on real-world systems (physiological, psychological, mechanical, etc.). PMID:23060808

Image Analysis of DNA Fiber and Nucleus in Plants.

PubMed

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

2016-01-01

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

Stress analysis and design considerations for Shuttle pointed autonomous research tool for astronomy /SPARTAN/

NASA Technical Reports Server (NTRS)

Ferragut, N. J.

1982-01-01

The Shuttle Pointed Autonomous Research Tool for Astronomy (SPARTAN) family of spacecraft are intended to operate with minimum interfaces with the U.S. Space Shuttle in order to increase flight opportunities. The SPARTAN I Spacecraft was designed to enhance structural capabilities and increase reliability. The approach followed results from work experience which evolved from sounding rocket projects. Structural models were developed to do the analyses necessary to satisfy safety requirements for Shuttle hardware. A loads analysis must also be performed. Stress analysis calculations will be performed on the main structural elements and subcomponents. Attention is given to design considerations and program definition, the schematic representation of a finite element model used for SPARTAN I spacecraft, details of loads analysis, the stress analysis, and fracture mechanics plan implications.

Segmentation of 3d Models for Cultural Heritage Structural Analysis - Some Critical Issues

NASA Astrophysics Data System (ADS)

Gonizzi Barsanti, S.; Guidi, G.; De Luca, L.

2017-08-01

Cultural Heritage documentation and preservation has become a fundamental concern in this historical period. 3D modelling offers a perfect aid to record ancient buildings and artefacts and can be used as a valid starting point for restoration, conservation and structural analysis, which can be performed by using Finite Element Methods (FEA). The models derived from reality-based techniques, made up of the exterior surfaces of the objects captured at high resolution, are - for this reason - made of millions of polygons. Such meshes are not directly usable in structural analysis packages and need to be properly pre-processed in order to be transformed in volumetric meshes suitable for FEA. In addition, dealing with ancient objects, a proper segmentation of 3D volumetric models is needed to analyse the behaviour of the structure with the most suitable level of detail for the different sections of the structure under analysis. Segmentation of 3D models is still an open issue, especially when dealing with ancient, complicated and geometrically complex objects that imply the presence of anomalies and gaps, due to environmental agents such as earthquakes, pollution, wind and rain, or human factors. The aims of this paper is to critically analyse some of the different methodologies and algorithms available to segment a 3D point cloud or a mesh, identifying difficulties and problems by showing examples on different structures.

Reconstitution of Homomeric GluA2flop Receptors in Supported Lipid Membranes

PubMed Central

Baranovic, Jelena; Ramanujan, Chandra S.; Kasai, Nahoko; Midgett, Charles R.; Madden, Dean R.; Torimitsu, Keiichi; Ryan, John F.

2013-01-01

AMPA receptors (AMPARs) are glutamate-gated ion channels ubiquitous in the vertebrate central nervous system, where they mediate fast excitatory neurotransmission and act as molecular determinants of memory formation and learning. Together with detailed analyses of individual AMPAR domains, structural studies of full-length AMPARs by electron microscopy and x-ray crystallography have provided important insights into channel assembly and function. However, the correlation between the structure and functional states of the channel remains ambiguous particularly because these functional states can be assessed only with the receptor bound within an intact lipid bilayer. To provide a basis for investigating AMPAR structure in a membrane environment, we developed an optimized reconstitution protocol using a receptor whose structure has previously been characterized by electron microscopy. Single-channel recordings of reconstituted homomeric GluA2flop receptors recapitulate key electrophysiological parameters of the channels expressed in native cellular membranes. Atomic force microscopy studies of the reconstituted samples provide high-resolution images of membrane-embedded full-length AMPARs at densities comparable to those in postsynaptic membranes. The data demonstrate the effect of protein density on conformational flexibility and dimensions of the receptors and provide the first structural characterization of functional membrane-embedded AMPARs, thus laying the foundation for correlated structure-function analyses of the predominant mediators of excitatory synaptic signals in the brain. PMID:23382380

Design and synthesis of two luminescent Zn(II)-based coordination polymers with different structures regulated by different solvent system

NASA Astrophysics Data System (ADS)

Wu, Wei-Ping; Wen, Gui-Lin; Liao, Yi; Wang, Jun; Lu, Lu; Wu, Yu; Xie, Bin

2016-08-01

Two new coordination polymers (CPs) [Zn(HL)(H2O)]n (1) and [Zn3(L)2(H2O)2]n·(H2O)n (2), based on a multifunctional ligand combined carboxylate groups and a nitrogen donor group 5-(6-carboxypyridin-2-yl)isophthalic acid (H3L), have been synthesized under different solvent media and fully characterized by powder X-ray diffraction (PXRD), infrared (IR) spectra, elemental analyses (EA) and thermogravimetric analyses (TGA). Single-crystal X-ray diffraction analysis reveals that 1 shows 1D dimeric chain structure, while 2 gives a 3D dense packing framework. Topology analysis illustrates that 2 can be simplified as a 3-nodal net (4, 5, 6-connected net) with the point symbol of {44·62}{46·64}2{48·66·8}. In addition, solid state luminescent properties of two complexes have also been studied in detail, which may act as the potential optical materials.

The analysis of scalp irritation by coacervates produced in hair shampoo via FTIR with focal plane array detector, X-ray photoelectron microscopy and HaCaT cells.

PubMed

Jung, I K; Park, S C; Kim, S H; Kim, J H; Cha, N R; Bae, W R; Kim, H N; Cho, S A; Yoo, J W; Kim, B M; Lee, J H

2017-04-01

Coacervates are inevitably formed on scalp on using hair washing products. Our goal was to analyse the coacervates in detail to identify the part responsible for scalp stimulation. Shampoo that increases coacervate formation was applied to in vitro skin and was washed. The residue was then analysed using Fourier transform infrared spectroscopy-focal plane array (FTIR-FPA) and X-ray photoelectron microscopy (XPS). And HaCaT cells were used for irritant test of coacervate. Through this research, it was confirmed that the coacervate was a macromolecule structurally similar to a cationic polymer and contains an anionic surfactant. Its anionic surfactant was structurally semi-stable so that it released onto scalp when it absorbs moisture. Coacervate releases sulphate bonding into the matrix when it is exposed to water. Thus, the scalp stimulation would be expected. © 2016 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

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

NASA Astrophysics Data System (ADS)

Oktav, Akın; Yılmaz, Çetin; Anlaş, Günay

2017-02-01

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

Detailed puncture analyses tank cars : analysis of different impactor threats and impact conditions.

DOT National Transportation Integrated Search

2013-03-01

There has been significant research in recent years to analyze and improve the impact behavior and puncture resistance of railroad tank cars. Much of this research has been performed using detailed nonlinear finite element analyses supported by full ...

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

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

Stable isotopes in mineralogy

USGS Publications Warehouse

O'Neil, J.R.

1977-01-01

Stable isotope fractionations between minerals are functions of the fundamental vibrational frequencies of the minerals and therefore bear on several topics of mineralogical interest. Isotopic compositions of the elements H, C, O, Si, and S can now be determined routinely in almost any mineral. A summary has been made of both published and new results of laboratory investigations, analyses of natural materials, and theoretical considerations which bear on the importance of temperature, pressure, chemical composition and crystal structure to the isotopic properties of minerals. It is shown that stable isotope studies can sometimes provide evidence for elucidating details of crystal structure and can be a powerful tool for use in tracing the reaction paths of mineralogical reactions. ?? 1977 Springer-Verlag.

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

Cryptic or pseudocryptic: can morphological methods inform copepod taxonomy? An analysis of publications and a case study of the Eurytemora affinis species complex

PubMed Central

Lajus, Dmitry; Sukhikh, Natalia; Alekseev, Victor

2015-01-01

Interest in cryptic species has increased significantly with current progress in genetic methods. The large number of cryptic species suggests that the resolution of traditional morphological techniques may be insufficient for taxonomical research. However, some species now considered to be cryptic may, in fact, be designated pseudocryptic after close morphological examination. Thus the “cryptic or pseudocryptic” dilemma speaks to the resolution of morphological analysis and its utility for identifying species. We address this dilemma first by systematically reviewing data published from 1980 to 2013 on cryptic species of Copepoda and then by performing an in-depth morphological study of the former Eurytemora affinis complex of cryptic species. Analyzing the published data showed that, in 5 of 24 revisions eligible for systematic review, cryptic species assignment was based solely on the genetic variation of forms without detailed morphological analysis to confirm the assignment. Therefore, some newly described cryptic species might be designated pseudocryptic under more detailed morphological analysis as happened with Eurytemora affinis complex. Recent genetic analyses of the complex found high levels of heterogeneity without morphological differences; it is argued to be cryptic. However, next detailed morphological analyses allowed to describe a number of valid species. Our study, using deep statistical analyses usually not applied for new species describing, of this species complex confirmed considerable differences between former cryptic species. In particular, fluctuating asymmetry (FA), the random variation of left and right structures, was significantly different between forms and provided independent information about their status. Our work showed that multivariate statistical approaches, such as principal component analysis, can be powerful techniques for the morphological discrimination of cryptic taxons. Despite increasing cryptic species designations, morphological techniques have great potential in determining copepod taxonomy. PMID:26120427

Computational prediction of hinge axes in proteins

PubMed Central

2014-01-01

Background A protein's function is determined by the wide range of motions exhibited by its 3D structure. However, current experimental techniques are not able to reliably provide the level of detail required for elucidating the exact mechanisms of protein motion essential for effective drug screening and design. Computational tools are instrumental in the study of the underlying structure-function relationship. We focus on a special type of proteins called "hinge proteins" which exhibit a motion that can be interpreted as a rotation of one domain relative to another. Results This work proposes a computational approach that uses the geometric structure of a single conformation to predict the feasible motions of the protein and is founded in recent work from rigidity theory, an area of mathematics that studies flexibility properties of general structures. Given a single conformational state, our analysis predicts a relative axis of motion between two specified domains. We analyze a dataset of 19 structures known to exhibit this hinge-like behavior. For 15, the predicted axis is consistent with a motion to a second, known conformation. We present a detailed case study for three proteins whose dynamics have been well-studied in the literature: calmodulin, the LAO binding protein and the Bence-Jones protein. Conclusions Our results show that incorporating rigidity-theoretic analyses can lead to effective computational methods for understanding hinge motions in macromolecules. This initial investigation is the first step towards a new tool for probing the structure-dynamics relationship in proteins. PMID:25080829

Diagnosis of an intense atmospheric river impacting the pacific northwest: Storm summary and offshore vertical structure observed with COSMIC satellite retrievals

USGS Publications Warehouse

Neiman, P.J.; Ralph, F.M.; Wick, G.A.; Kuo, Y.-H.; Wee, T.-K.; Ma, Z.; Taylor, G.H.; Dettinger, M.D.

2008-01-01

This study uses the new satellite-based Constellation Observing System for Meteorology, Ionosphere, and Climate (COSMIC) mission to retrieve tropospheric profiles of temperature and moisture over the data-sparse eastern Pacific Ocean. The COSMIC retrievals, which employ a global positioning system radio occultation technique combined with "first-guess" information from numerical weather prediction model analyses, are evaluated through the diagnosis of an intense atmospheric river (AR; i.e., a narrow plume of strong water vapor flux) that devastated the Pacific Northwest with flooding rains in early November 2006. A detailed analysis of this AR is presented first using conventional datasets and highlights the fact that ARs are critical contributors to West Coast extreme precipitation and flooding events. Then, the COSMIC evaluation is provided. Offshore composite COSMIC soundings north of, within, and south of this AR exhibited vertical structures that are meteorologically consistent with satellite imagery and global reanalysis fields of this case and with earlier composite dropsonde results from other landfalling ARs. Also, a curtain of 12 offshore COSMIC soundings through the AR yielded cross-sectional thermodynamic and moisture structures that were similarly consistent, including details comparable to earlier aircraft-based dropsonde analyses. The results show that the new COSMIC retrievals, which are global (currently yielding ???2000 soundings per day), provide high-resolution vertical-profile information beyond that found in the numerical model first-guess fields and can help monitor key lower-tropospheric mesoscale phenomena in data-sparse regions. Hence, COSMIC will likely support a wide array of applications, from physical process studies to data assimilation, numerical weather prediction, and climate research. ?? 2008 American Meteorological Society.

Guidebook for analysis of tether applications

NASA Technical Reports Server (NTRS)

Carroll, J. A.

1985-01-01

This guidebook is intended as a tool to facilitate initial analyses of proposed tether applications in space. The guiding philosophy is that a brief analysis of all the common problem areas is far more useful than a detailed study in any one area. Such analyses can minimize the waste of resources on elegant but fatally flawed concepts, and can identify the areas where more effort is needed on concepts which do survive the initial analyses. The simplified formulas, approximations, and analytical tools included should be used only for preliminary analyses. For detailed analyses, the references with each topic and in the bibliography may be useful.

X-ray crystallography and its impact on understanding bacterial cell wall remodeling processes.

PubMed

Büttner, Felix Michael; Renner-Schneck, Michaela; Stehle, Thilo

2015-02-01

The molecular structure of matter defines its properties and function. This is especially true for biological macromolecules such as proteins, which participate in virtually all biochemical processes. A three dimensional structural model of a protein is thus essential for the detailed understanding of its physiological function and the characterization of essential properties such as ligand binding and reaction mechanism. X-ray crystallography is a well-established technique that has been used for many years, but it is still by far the most widely used method for structure determination. A particular strength of this technique is the elucidation of atomic details of molecular interactions, thus providing an invaluable tool for a multitude of scientific projects ranging from the structural classification of macromolecules over the validation of enzymatic mechanisms or the understanding of host-pathogen interactions to structure-guided drug design. In the first part of this review, we describe essential methodological and practical aspects of X-ray crystallography. We provide some pointers that should allow researchers without a background in structural biology to assess the overall quality and reliability of a crystal structure. To highlight its potential, we then survey the impact X-ray crystallography has had on advancing an understanding of a class of enzymes that modify the bacterial cell wall. A substantial number of different bacterial amidase structures have been solved, mostly by X-ray crystallography. Comparison of these structures highlights conserved as well as divergent features. In combination with functional analyses, structural information on these enzymes has therefore proven to be a valuable template not only for understanding their mechanism of catalysis, but also for targeted interference with substrate binding. Copyright © 2015 Elsevier GmbH. All rights reserved.

Mapping the structure of the world economy.

PubMed

Lenzen, Manfred; Kanemoto, Keiichiro; Moran, Daniel; Geschke, Arne

2012-08-07

We have developed a new series of environmentally extended multi-region input-output (MRIO) tables with applications in carbon, water, and ecological footprinting, and Life-Cycle Assessment, as well as trend and key driver analyses. Such applications have recently been at the forefront of global policy debates, such as about assigning responsibility for emissions embodied in internationally traded products. The new time series was constructed using advanced parallelized supercomputing resources, and significantly advances the previous state of art because of four innovations. First, it is available as a continuous 20-year time series of MRIO tables. Second, it distinguishes 187 individual countries comprising more than 15,000 industry sectors, and hence offers unsurpassed detail. Third, it provides information just 1-3 years delayed therefore significantly improving timeliness. Fourth, it presents MRIO elements with accompanying standard deviations in order to allow users to understand the reliability of data. These advances will lead to material improvements in the capability of applications that rely on input-output tables. The timeliness of information means that analyses are more relevant to current policy questions. The continuity of the time series enables the robust identification of key trends and drivers of global environmental change. The high country and sector detail drastically improves the resolution of Life-Cycle Assessments. Finally, the availability of information on uncertainty allows policy-makers to quantitatively judge the level of confidence that can be placed in the results of analyses.

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

Wojcik, Roza; Webb, Ian K.; Deng, Liulin

Understanding the biological mechanisms related to lipids and glycolipids is challenging due to the vast number of possible isomers. Mass spectrometry (MS) measurements are currently the dominant approach for studying and providing detailed information on lipid and glycolipid structures. However, difficulties in distinguishing many structural isomers (e.g. distinct acyl chain positions, double bond locations, as well as glycan isomers) inhibit the understanding of their biological roles. Here we utilized ultra-high resolution ion mobility spectrometry (IMS) separations based upon the use of traveling waves in a serpentine long path length multi-pass Structures for Lossless Manipulations (SLIM) to enhance isomer resolution. Themore » multi-pass arrangement allowed separations ranging from ~16 m (1 pass) to ~470 m (32 passes) to be investigated for the distinction of lipids and glycolipids with extremely small structural differences. Lastly, these ultra-high resolution SLIM IMS-MS analyses provide a foundation for exploring and better understanding isomer specific biological and disease processes.« less

Flow-structure Interaction Modeling of a Fish Caudal Fin during Steady Swimming

NASA Astrophysics Data System (ADS)

Liu, Geng; Geng, Biao; Zheng, Xudong; Xue, Qian; Dong, Haibo

2017-11-01

It's widely thought that the flexibilities of fish fins play critical roles in propulsive performance enhancement (such as thrust augment and efficiency improvement) in nature. In order to explore the formation mechanisms of the fish fin's flexible morphing and its hydrodynamic benefits as well, a high-fidelity flow-structure/membrane interaction modeling of the fish caudal fin is conducted in this work. Following the realistic configuration of the fish caudal fin, a thin membrane supported by a series of beams is constructed. The material properties of the membrane and the beams are reversely determined by the realistic fin morphing obtained from the high-speed videos and the high fidelity flow-structure interaction simulations. With the accurate material property, we investigate the interplay between structure, kinematics and fluid flow in caudal fin propulsion. Detailed analyses on the relationship between the flexural stiffness, fin morphing patterns, hydrodynamic forces and vortex dynamics are then conducted.

Convolute laminations and load structures in turbidites as indicators of flow reflections and decelerations against bounding slopes. Examples from the Marnoso-arenacea Formation (northern Italy) and Annot Sandstones (south eastern France)

NASA Astrophysics Data System (ADS)

Tinterri, R.; Muzzi Magalhaes, P.; Tagliaferri, A.; Cunha, R. S.

2016-10-01

This work discusses the significance of particular types of soft-sediment deformations very common within turbidite deposits, namely convolute laminations and load structures. Detailed facies analyses of the foredeep turbidites in the Marnoso-arenacea Formation (northern Italy) and Annot Sandstones (south eastern France) show that these deformational structures tend to increase near morphological obstacles, concomitantly with contained-reflected beds. The lateral and vertical distribution of convolute laminae and load structures, as well as their geometry, has a well-defined depositional logic related to flow decelerations and reflections against bounding slopes. This evidence suggests an interaction between fine-grained sediment and the presence of morphologic relief, and impulsive and cyclic-wave loadings, which are produced by flow impacts or reflected bores and internal waves related to impinging bipartite turbidity currents.

The Phyre2 web portal for protein modelling, prediction and analysis

PubMed Central

Kelley, Lawrence A; Mezulis, Stefans; Yates, Christopher M; Wass, Mark N; Sternberg, Michael JE

2017-01-01

Summary Phyre2 is a suite of tools available on the web to predict and analyse protein structure, function and mutations. The focus of Phyre2 is to provide biologists with a simple and intuitive interface to state-of-the-art protein bioinformatics tools. Phyre2 replaces Phyre, the original version of the server for which we previously published a protocol. In this updated protocol, we describe Phyre2, which uses advanced remote homology detection methods to build 3D models, predict ligand binding sites, and analyse the effect of amino-acid variants (e.g. nsSNPs) for a user’s protein sequence. Users are guided through results by a simple interface at a level of detail determined by them. This protocol will guide a user from submitting a protein sequence to interpreting the secondary and tertiary structure of their models, their domain composition and model quality. A range of additional available tools is described to find a protein structure in a genome, to submit large number of sequences at once and to automatically run weekly searches for proteins difficult to model. The server is available at http://www.sbg.bio.ic.ac.uk/phyre2. A typical structure prediction will be returned between 30mins and 2 hours after submission. PMID:25950237

Global population structure of the tope (Galeorhinus galeus) inferred by mitochondrial control region sequence data.

PubMed

Chabot, C L; Allen, L G

2009-02-01

In order to properly manage and conserve exploited shark species, detailed analyses of their population structure is needed. Global populations of Galeorhinus galeus are in decline due to the exploitation of the fishery over the past 80 years. Currently, the genetic structure of eastern Pacific populations of G. galeus is not known and recent observations in the northeastern Pacific suggest an increase in numbers. To evaluate gene flow among populations of G. galeus, 116 samples were collected and analysed from six geographically dispersed locations: Australia, North America, South Africa, South America (Argentina and Peru), and the UK. Analysis of 968 to 1006 bp of the 1068-bp mitochondrial control region revealed 38 unique haplotypes that were largely restricted to their collecting locality. Significant genetic structure was detected among populations (Phi(ST) = 0.84; P < 0.000001) and migration estimates were low (Nm = 0.05-0.97). Due to an apparent lack of migration, populations of G. galeus appear to be isolated from each other with little to no gene flow occurring among them. As a consequence of this isolation, increasing numbers of G. galeus in the northeastern Pacific can be best explained by local recruitment and not by input from geographically distant populations.

Incorporation of an Azobenzene β-Turn Peptidomimetic into Amyloid-β to Probe Potential Structural Motifs Leading to β-Sheet Self-Assembly.

PubMed

Doran, Todd M; Nilsson, Bradley L

2018-01-01

Alzheimer's disease (AD) is characterized by chronic neurodegeneration and the insidious accumulation of senile plaques comprised of the amyloid-β (Aβ) peptide. An important goal in AD research is to characterize the structural basis for how Aβ aggregates exert their noxious effects on neurons. We describe herein synthetic steps to incorporate a light-controlled β-turn mimetic, 3-(3-aminomethylphenylazo)-phenylacetic acid (AMPP), into the backbone of a putative turn region within Aβ. AMPP adopts a rigid β-hairpin turn when azobenzene is in the cis conformation, and can adopt an extended "β-arc" turn in the trans-azobenzene conformation. The long lifetimes of these conformationally stable isomers permit detailed biochemical analyses that help to clarify the controversial role played by these two types of turns during the toxic misfolding pathway of Aβ. Methods to photo-nucleate the cis- or trans-AMPP isomeric turns in aqueous buffer are also described. Finally, we detail selected techniques to characterize the Aβ aggregates derived from these photoisomerized variants.

[Fundamentals of plasma chemistry and its application to drug engineering].

PubMed

Kuzuya, M

1996-04-01

In this review, our novel research works in both low temperature plasma chemistry and solid state plasma chemistry were described. As for low temperature plasma, the ESR study on plasma-induced radicals of several selected conventional polymers was shown including the detailed analyses of the radical structure and the mechanism by which the radicals were formed on typical degradable methacrylic polymers and cross-linkable polystyrene. One of the pharmaceutical applications of the plasma processing for drug delivery system (DDS) was also described, which includes the preparations of double-compressed tablet consisting of drugs as a core material and various types of polymers as a wall material followed by plasma-irradiation on such a tablet. As for solid state plasma, the detailed reaction mechanism of solid state mechanochemical polymerization was shown including the solid state single electron transfer and the special feature of the resulting polymers. The structural criteria for polymerizable monomer derived from the quantum chemical considerations were also established. Based on the above findings, we synthesized various polymeric prodrugs by mechanochemical polymerization and studied the nature of hydrolyses (drug release).

The F-15B Propulsion Flight Test Fixture: A New Flight Facility For Propulsion Research

NASA Technical Reports Server (NTRS)

Corda, Stephen; Vachon, M. Jake; Palumbo, Nathan; Diebler, Corey; Tseng, Ting; Ginn, Anthony; Richwine, David

2001-01-01

The design and development of the F-15B Propulsion Flight Test Fixture (PFTF), a new facility for propulsion flight research, is described. Mounted underneath an F-15B fuselage, the PFTF provides volume for experiment systems and attachment points for propulsion devices. A unique feature of the PFTF is the incorporation of a six-degree-of-freedom force balance. Three-axis forces and moments can be measured in flight for experiments mounted to the force balance. The NASA F-15B airplane is described, including its performance and capabilities as a research test bed aircraft. The detailed description of the PFTF includes the geometry, internal layout and volume, force-balance operation, available instrumentation, and allowable experiment size and weight. The aerodynamic, stability and control, and structural designs of the PFTF are discussed, including results from aerodynamic computational fluid dynamic calculations and structural analyses. Details of current and future propulsion flight experiments are discussed. Information about the integration of propulsion flight experiments is provided for the potential PFTF user.

Smart wing wind tunnel model design

NASA Astrophysics Data System (ADS)

Martin, Christopher A.; Jasmin, Larry; Flanagan, John S.; Appa, Kari; Kudva, Jayanth N.

1997-05-01

To verify the predicted benefits of the smart wing concept, two 16% scale wind tunnel models, one conventional and the other incorporating smart wing design features, were designed, fabricated and tested. Meticulous design of the two models was essential to: (1) ensure the required factor of safety of four for operation in the NASA Langley TDT wind tunnel, (2) efficiently integrate the smart actuation systems, (3) quantify the performance improvements, and (4) facilitate eventual scale-up to operational aircraft. Significant challenges were encountered in designing the attachment of the shape memory alloy control surfaces to the wing box, integration of the SMA torque tube in the wing structure, and development of control mechanisms to protect the model and the tunnel in the event of failure of the smart systems. In this paper, detailed design of the two models are presented. First, dynamic scaling of the models based on the geometry and structural details of the full- scale aircraft is presented. Next, results of the stress, divergence and flutter analyses are summarized. Finally some of the challenges of integrating the smart actuators with the model are highlighted.

Technology Benefit Estimator (T/BEST): User's Manual

NASA Technical Reports Server (NTRS)

Generazio, Edward R.; Chamis, Christos C.; Abumeri, Galib

1994-01-01

The Technology Benefit Estimator (T/BEST) system is a formal method to assess advanced technologies and quantify the benefit contributions for prioritization. T/BEST may be used to provide guidelines to identify and prioritize high payoff research areas, help manage research and limited resources, show the link between advanced concepts and the bottom line, i.e., accrued benefit and value, and to communicate credibly the benefits of research. The T/BEST software computer program is specifically designed to estimating benefits, and benefit sensitivities, of introducing new technologies into existing propulsion systems. Key engine cycle, structural, fluid, mission and cost analysis modules are used to provide a framework for interfacing with advanced technologies. An open-ended, modular approach is used to allow for modification and addition of both key and advanced technology modules. T/BEST has a hierarchical framework that yields varying levels of benefit estimation accuracy that are dependent on the degree of input detail available. This hierarchical feature permits rapid estimation of technology benefits even when the technology is at the conceptual stage. As knowledge of the technology details increases the accuracy of the benefit analysis increases. Included in T/BEST's framework are correlations developed from a statistical data base that is relied upon if there is insufficient information given in a particular area, e.g., fuel capacity or aircraft landing weight. Statistical predictions are not required if these data are specified in the mission requirements. The engine cycle, structural fluid, cost, noise, and emissions analyses interact with the default or user material and component libraries to yield estimates of specific global benefits: range, speed, thrust, capacity, component life, noise, emissions, specific fuel consumption, component and engine weights, pre-certification test, mission performance engine cost, direct operating cost, life cycle cost, manufacturing cost, development cost, risk, and development time. Currently, T/BEST operates on stand-alone or networked workstations, and uses a UNIX shell or script to control the operation of interfaced FORTRAN based analyses. T/BEST's interface structure works equally well with non-FORTRAN or mixed software analysis. This interface structure is designed to maintain the integrity of the expert's analyses by interfacing with expert's existing input and output files. Parameter input and output data (e.g., number of blades, hub diameters, etc.) are passed via T/BEST's neutral file, while copious data (e.g., finite element models, profiles, etc.) are passed via file pointers that point to the expert's analyses output files. In order to make the communications between the T/BEST's neutral file and attached analyses codes simple, only two software commands, PUT and GET, are required. This simplicity permits easy access to all input and output variables contained within the neutral file. Both public domain and proprietary analyses codes may be attached with a minimal amount of effort, while maintaining full data and analysis integrity, and security. T/BESt's sotware framework, status, beginner-to-expert operation, interface architecture, analysis module addition, and key analysis modules are discussed. Representative examples of T/BEST benefit analyses are shown.

Technology Benefit Estimator (T/BEST): User's manual

NASA Astrophysics Data System (ADS)

Generazio, Edward R.; Chamis, Christos C.; Abumeri, Galib

1994-12-01

The Technology Benefit Estimator (T/BEST) system is a formal method to assess advanced technologies and quantify the benefit contributions for prioritization. T/BEST may be used to provide guidelines to identify and prioritize high payoff research areas, help manage research and limited resources, show the link between advanced concepts and the bottom line, i.e., accrued benefit and value, and to communicate credibly the benefits of research. The T/BEST software computer program is specifically designed to estimating benefits, and benefit sensitivities, of introducing new technologies into existing propulsion systems. Key engine cycle, structural, fluid, mission and cost analysis modules are used to provide a framework for interfacing with advanced technologies. An open-ended, modular approach is used to allow for modification and addition of both key and advanced technology modules. T/BEST has a hierarchical framework that yields varying levels of benefit estimation accuracy that are dependent on the degree of input detail available. This hierarchical feature permits rapid estimation of technology benefits even when the technology is at the conceptual stage. As knowledge of the technology details increases the accuracy of the benefit analysis increases. Included in T/BEST's framework are correlations developed from a statistical data base that is relied upon if there is insufficient information given in a particular area, e.g., fuel capacity or aircraft landing weight. Statistical predictions are not required if these data are specified in the mission requirements. The engine cycle, structural fluid, cost, noise, and emissions analyses interact with the default or user material and component libraries to yield estimates of specific global benefits: range, speed, thrust, capacity, component life, noise, emissions, specific fuel consumption, component and engine weights, pre-certification test, mission performance engine cost, direct operating cost, life cycle cost, manufacturing cost, development cost, risk, and development time. Currently, T/BEST operates on stand-alone or networked workstations, and uses a UNIX shell or script to control the operation of interfaced FORTRAN based analyses. T/BEST's interface structure works equally well with non-FORTRAN or mixed software analysis. This interface structure is designed to maintain the integrity of the expert's analyses by interfacing with expert's existing input and output files. Parameter input and output data (e.g., number of blades, hub diameters, etc.) are passed via T/BEST's neutral file, while copious data (e.g., finite element models, profiles, etc.) are passed via file pointers that point to the expert's analyses output files. In order to make the communications between the T/BEST's neutral file and attached analyses codes simple, only two software commands, PUT and GET, are required. This simplicity permits easy access to all input and output variables contained within the neutral file. Both public domain and proprietary analyses codes may be attached with a minimal amount of effort, while maintaining full data and analysis integrity, and security.

Comparing population structure as inferred from genealogical versus genetic information.

PubMed

Colonna, Vincenza; Nutile, Teresa; Ferrucci, Ronald R; Fardella, Giulio; Aversano, Mario; Barbujani, Guido; Ciullo, Marina

2009-12-01

Algorithms for inferring population structure from genetic data (ie, population assignment methods) have shown to effectively recognize genetic clusters in human populations. However, their performance in identifying groups of genealogically related individuals, especially in scanty-differentiated populations, has not been tested empirically thus far. For this study, we had access to both genealogical and genetic data from two closely related, isolated villages in southern Italy. We found that nearly all living individuals were included in a single pedigree, with multiple inbreeding loops. Despite F(st) between villages being a low 0.008, genetic clustering analysis identified two clusters roughly corresponding to the two villages. Average kinship between individuals (estimated from genealogies) increased at increasing values of group membership (estimated from the genetic data), showing that the observed genetic clusters represent individuals who are more closely related to each other than to random members of the population. Further, average kinship within clusters and F(st) between clusters increases with increasingly stringent membership threshold requirements. We conclude that a limited number of genetic markers is sufficient to detect structuring, and that the results of genetic analyses faithfully mirror the structuring inferred from detailed analyses of population genealogies, even when F(st) values are low, as in the case of the two villages. We then estimate the impact of observed levels of population structure on association studies using simulated data.

Comparing population structure as inferred from genealogical versus genetic information

PubMed Central

Colonna, Vincenza; Nutile, Teresa; Ferrucci, Ronald R; Fardella, Giulio; Aversano, Mario; Barbujani, Guido; Ciullo, Marina

2009-01-01

Algorithms for inferring population structure from genetic data (ie, population assignment methods) have shown to effectively recognize genetic clusters in human populations. However, their performance in identifying groups of genealogically related individuals, especially in scanty-differentiated populations, has not been tested empirically thus far. For this study, we had access to both genealogical and genetic data from two closely related, isolated villages in southern Italy. We found that nearly all living individuals were included in a single pedigree, with multiple inbreeding loops. Despite Fst between villages being a low 0.008, genetic clustering analysis identified two clusters roughly corresponding to the two villages. Average kinship between individuals (estimated from genealogies) increased at increasing values of group membership (estimated from the genetic data), showing that the observed genetic clusters represent individuals who are more closely related to each other than to random members of the population. Further, average kinship within clusters and Fst between clusters increases with increasingly stringent membership threshold requirements. We conclude that a limited number of genetic markers is sufficient to detect structuring, and that the results of genetic analyses faithfully mirror the structuring inferred from detailed analyses of population genealogies, even when Fst values are low, as in the case of the two villages. We then estimate the impact of observed levels of population structure on association studies using simulated data. PMID:19550436

Synthesis, spectroscopic characterizations, crystal structures and DFT studies of nalidixic acid carbonyl hydrazones derivatives

NASA Astrophysics Data System (ADS)

Bergamini, F. R. G.; Ribeiro, M. A.; Lancellotti, M.; Machado, D.; Miranda, P. C. M. L.; Cuin, A.; Formiga, A. L. B.; Corbi, P. P.

2016-09-01

This article describes the synthesis and characterization of the 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide (hzd) and six carbonyl hydrazones derivatives of the nalidixic with 1H-pyrrol-2-ylmethylidene (hpyrr), 1H-imidazol-2-ylmethylidene (h2imi), pyridin-2-ylmethylidene (h2py), pyridin-3-ylmethylidene (h3py), pyridin-4-ylmethylidene(h4py) and (2-hydroxyphenyl)methylidene (hsali). The carbonyl hydrazones were characterized by elemental and ESI-QTOF-MS analyses, IR and detailed NMR spectroscopic measurements. The 2D NMR experiments allowed the unambiguous assignment of the hydrogen, carbon and nitrogen atoms, which have not been reported for nalidixic acid carbonyl hydrazone derivatives so far. Crystal structures of hzd and the new carbonyl hydrazones h2imi, hpyrr and h3py were determined by X-ray diffraction studies. Although the synthesis of hzd was reported decades ago, the hzd crystal structure have not been reported yet. Geometric optimizations of all the characterized structures were performed with the aid of DFT studies. Despite the fact that the hydrazones with 2-pyridine carboxylic acid (h2py) and salicyl aldehyde (hsali) were already reported by literature, a detailed spectroscopic study followed by DFT studies are also reported for such compounds in this manuscript. Antimicrobial studies of the compounds are also presented.

Revealing Structural Details of SiCO Ceramics with GIPAW Calculations of Model Structures and Analysis of Experimental 29Si Nuclear Magnetic Resonance Spectroscopy

NASA Astrophysics Data System (ADS)

Nimmo, John; Kroll, Peter

2015-03-01

The occurrence of the various SiCxO4-x (1 <=x <=4) mixed tetrahedra in silicon oxycarbide (SiCO) is often quantified by means of experimental 29Si nuclear magnetic resonance. The structural centers are assigned to individual peaks in the spectrum, which can be integrated to give the relative populations. Using a recently-developed method, we show that is is also possible to recover information on the connectivity of these tetrahedra. By combining a huge library of model structures an GIPAW calculations, we show that simple relations exist between the Si-O-Si linking angles and the 29Si NMR chemical shift. In this work, we perform detailed analyses of SiCO 29Si NMR spectra available in literature. We extract angular distributions in agreement with the experimental X-ray and neutron diffraction data. Furthermore, in glasses with large amounts of so-called ``free'' carbon, we observe a significant portion of the {Si}O4 tetrahedra which have disproportionately large angles. These angles indicate the presence of internal SiO2 surfaces or cages-like voids, similar to those found in zeolites or clathrates. This analysis suggests that in SiCO, the ``free'' carbon is incorporated into these voids, which produces strain on the bonding angles of the surrounding host glass.

Discrete hierarchy of sizes and performances in the exchange-traded fund universe

NASA Astrophysics Data System (ADS)

Vandermarliere, B.; Ryckebusch, J.; Schoors, K.; Cauwels, P.; Sornette, D.

2017-03-01

Using detailed statistical analyses of the size distribution of a universe of equity exchange-traded funds (ETFs), we discover a discrete hierarchy of sizes, which imprints a log-periodic structure on the probability distribution of ETF sizes that dominates the details of the asymptotic tail. This allows us to propose a classification of the studied universe of ETFs into seven size layers approximately organized according to a multiplicative ratio of 3.5 in their total market capitalization. Introducing a similarity metric generalizing the Herfindhal index, we find that the largest ETFs exhibit a significantly stronger intra-layer and inter-layer similarity compared with the smaller ETFs. Comparing the performance across the seven discerned ETF size layers, we find an inverse size effect, namely large ETFs perform significantly better than the small ones both in 2014 and 2015.

Infrared spectroscopy of phenol-(H2O)(n>10): structural strains in hydrogen bond networks of neutral water clusters.

PubMed

Mizuse, Kenta; Hamashima, Toru; Fujii, Asuka

2009-11-05

To investigate hydrogen bond network structures of tens of water molecules, we report infrared spectra of moderately size (n)-selected phenol-(H2O)n (approximately 10 < or = n < or = approximately 50), which have essentially the same network structures as (H2O)(n+1). The phenyl group in phenol-(H2O)(n) allows us to apply photoionization-based size selection and infrared-ultraviolet double resonance spectroscopy. The spectra show a clear low-frequency shift of the free OH stretching band with increasing n. Detailed analyses with density functional theory calculations indicate that this shift is accounted for by the hydrogen bond network development from highly strained ones in the small (n < approximately 10) clusters to more relaxed ones in the larger clusters, in addition to the cooperativity of hydrogen bonds.

High-resolution three-dimensional imaging of red blood cells parasitized by Plasmodium falciparum and in situ hemozoin crystals using optical diffraction tomography

NASA Astrophysics Data System (ADS)

Kim, Kyoohyun; Yoon, HyeOk; Diez-Silva, Monica; Dao, Ming; Dasari, Ramachandra R.; Park, YongKeun

2014-01-01

We present high-resolution optical tomographic images of human red blood cells (RBC) parasitized by malaria-inducing Plasmodium falciparum (Pf)-RBCs. Three-dimensional (3-D) refractive index (RI) tomograms are reconstructed by recourse to a diffraction algorithm from multiple two-dimensional holograms with various angles of illumination. These 3-D RI tomograms of Pf-RBCs show cellular and subcellular structures of host RBCs and invaded parasites in fine detail. Full asexual intraerythrocytic stages of parasite maturation (ring to trophozoite to schizont stages) are then systematically investigated using optical diffraction tomography algorithms. These analyses provide quantitative information on the structural and chemical characteristics of individual host Pf-RBCs, parasitophorous vacuole, and cytoplasm. The in situ structural evolution and chemical characteristics of subcellular hemozoin crystals are also elucidated.

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

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

High-resolution three-dimensional imaging of red blood cells parasitized by Plasmodium falciparum and in situ hemozoin crystals using optical diffraction tomography

PubMed Central

Kim, Kyoohyun; Yoon, HyeOk; Diez-Silva, Monica; Dao, Ming; Dasari, Ramachandra R.

2013-01-01

Abstract. We present high-resolution optical tomographic images of human red blood cells (RBC) parasitized by malaria-inducing Plasmodium falciparum (Pf)-RBCs. Three-dimensional (3-D) refractive index (RI) tomograms are reconstructed by recourse to a diffraction algorithm from multiple two-dimensional holograms with various angles of illumination. These 3-D RI tomograms of Pf-RBCs show cellular and subcellular structures of host RBCs and invaded parasites in fine detail. Full asexual intraerythrocytic stages of parasite maturation (ring to trophozoite to schizont stages) are then systematically investigated using optical diffraction tomography algorithms. These analyses provide quantitative information on the structural and chemical characteristics of individual host Pf-RBCs, parasitophorous vacuole, and cytoplasm. The in situ structural evolution and chemical characteristics of subcellular hemozoin crystals are also elucidated. PMID:23797986

Soil discontinuities as potential factors of shallow landslides: a case study from Calabria, southern Italy

NASA Astrophysics Data System (ADS)

Scarciglia, Fabio; Morrone, Fabio; Pelle, Teresa; Buttafuoco, Gabriele; Conforti, Massimo; Muto, Francesco; Critelli, Salvatore; Fabbricatore, Davide; Filomena, Luciana; Rago, Valeria; Robustelli, Gaetano; Tripodi, Vincenzo; Versace, Pasquale

2015-04-01

Effects of chemical and physical weathering processes on different rock types as predisposing factors of a number of landslides are often investigated in detail. Conversely, very few research studies on triggering mechanisms of shallow landslides and related risk assessment are focused on evaluation of morphological and physical discontinuities caused by pedogenetic processes affecting parent materials. Also sampling strategies for geotechnical or hydrological laboratory analyses can be biased by the lack of detailed information about the soil spatial variability and of a consequent horizon-wise selection of samples from soil profiles. In this work we summarize the main results on the assessment of shallow landslide susceptibility along the A3 highway section between Cosenza Sud and Altilia in northern Calabria (southern Italy). This research is part of a wider project (PON01-01503: "Integrated systems for hydrogeological risk monitoring, early warning and mitigation along the main lifelines"), aimed at hydro-geological risk mitigation and early warning along three highway sections of southern Italy. Based on a detailed geological and geomorphological survey, the main lithological, structural and relief features of the landscape were mapped, with a special emphasis on active, dormant and inactive landslides and their geo-lithological control factors. A soil survey was also carried out in the field, showing a dominance of Entisols and Inceptisols on steep slopes, and Mollisols and Alfisols on gentle landforms. Soil observations were focused on the identification of pedological discontinuities as potential factors that might trigger shallow landslides. A number of soil profiles, often close to landslide scarps, evidenced significant morphological changes of the parent materials, such as texture, pedogenic structure, dry consistence and moisture, or hydromorphic features caused by transient water-logging conditions, and clay-illuviated horizons. Buried soils were recognized, often truncated by erosion, and overlain by younger soils developed on colluvia, debris flows and detrital slope deposits. Five representative soil profiles were selected and sampled for pedological, geotechnical and hydrological laboratory analyses. Bulk and undisturbed samples were collected for chemical and physical soil analyses (particle size distribution, organic and inorganic carbon, pH, electrical conductivity, soluble salts), for determining bulk density, Atterberg limits, cohesive strength, angle of internal friction, water retention and for thin sections to be observed under an optical polarizing microscope, respectively. Preliminary results of laboratory analyses showed irregular patterns of pedological (particle size distribution, organic matter content, bulk density), geotechnical (Atterberg limits) and hydrological data (water content, pore distribution) along the soil profiles, coherently with field observations.

Substantiation Data for Advanced Beaded and Tubular Structural Panels. Volume 3: Testing

NASA Technical Reports Server (NTRS)

Hedges, P. C.; Greene, B. E.

1974-01-01

The test program is described, which was conducted to provide the necessary experimental data to verify the design and analysis methods developed for beaded and tubular panels. Test results are summarized and presented for all local buckling and full size panel tests. Selected representative test data from each of these tests is presented in detail. The results of this program established a valid analysis and design procedure for circular tube panels. Test results from three other configurations show deformational modes which are not adequately accounted for in the present analyses.

1H and 13C NMR assignments for two new cordiaquinones from roots of Cordia leucocephala.

PubMed

Diniz, Jaécio Carlos; Viana, Francisco Arnaldo; Oliveira, Odaci Fernandes; Maciel, Maria Aparecida M; Torres, Maria da Conceição de Menezes; Braz-Filho, Raimundo; Silveira, Edilberto R; Pessoa, Otília Deusdênia L

2009-02-01

From the roots of Cordia leucocephala (Boraginaceae), two new meroterpenoid naphthoquinones, 6-[10-(12,12-dimethyl-13alpha-hydroxy-16-methenyl-cyclohexyl)ethyl]-1,4-naphthalenedione (cordiaquinone L) and 5-methyl-6-[10-(12,12-dimethyl-13beta-hydroxy-16-methenyl-cyclohexyl)methyl-1,4-naphthalenedione (cordiaquinone M) were isolated. Their structures were elucidated after detailed 1D and 2D NMR (COSY, HSQC, HMBC and NOESY) data analyses and comparison with literature data for analogous compounds. 2008 John Wiley & Sons, Ltd.

Further amphoricarpolides from the surface extracts of Amphoricarpos complex from Montenegro.

PubMed

Cvetković, Mirjana; Ethorđević, Iris; Jadranin, Milka; Vajs, Vlatka; Vučković, Ivan; Menković, Nebojša; Milosavljević, Slobodan; Tešević, Vele

2014-09-01

Analysis of composition of sesquiterpene lactone fraction of leaf cuticular neutral lipids of Amphoricarpos complex from two different localities in north Montenegro, i.e., canyon of river Tara (A. autariatus ssp. autariatus) and mountain Zeletin (A. autariatus ssp. bertisceus) afforded sesquiterpene lactones with guaianolide skeletons (17 compounds), so called amphoricarpolides, typical for this genus. Nine of them, 9-17, were new compounds, and their structures were elucidated by detailed analyses of IR, NMR, and MS data. Copyright © 2014 Verlag Helvetica Chimica Acta AG, Zürich.

As-received microstructure of a SiC/Ti-15-3 composite

NASA Technical Reports Server (NTRS)

Lerch, Bradley A.; Hull, David R.; Leonhardt, Todd A.

1988-01-01

A silicon carbide fiber reinforced titanium (Ti-15V-3Cr-3Sn-3Al) composite is metallographically examined. Several methods for examining composite materials are investigated and documented. Polishing techniques for this material are described. An interference layering method is developed to reveal the structure of the fiber, the reaction zone, and various phases within the matrix. Microprobe and transmission electron microscope (TEM) analyses are performed on the fiber/matrix interface. A detailed description of the fiber distribution as well as the microstructure of the fiber and matrix are presented.

H I Structure and Topology of the Galaxy Revealed by the I-GALFA H I 21-cm Line Survey

NASA Astrophysics Data System (ADS)

Koo, Bon-Chul; Park, G.; Cho, W.; Gibson, S. J.; Kang, J.; Douglas, K. A.; Peek, J. E. G.; Korpela, E. J.; Heiles, C. E.

2011-05-01

The I-GALFA survey mapping all the H I in the inner Galactic disk visible to the Arecibo 305m telescope within 10 degrees of the Galactic plane (longitudes of 32 to 77 degrees at b = 0) completed observations in 2009 September and will soon be made publicly available. The high (3.4 arcmin) resolution and tremendous sensitivity of the survey offer a great opportunity to observe the fine details of H I both in the inner and in the far outer Galaxy. The reduced HI column density maps show that the HI structure is highly filamentary and clumpy, pervaded by shell-like structures, vertical filaments, and small clumps. By inspecting individual maps, we have found 36 shell candidates of angular sizes ranging from 0.4 to 12 degrees, half of which appear to be expanding. In order to characterize the filamentary/clumpy morphology of the HI structure, we have carried out statistical analyses of selected areas representing the spiral arms in the inner and outer Galaxy. Genus statistics that can distinguish the ``meatball'' and ``swiss-cheese'' topologies show that the HI topology is clump-like in most regions. The two-dimensional Fourier analysis further shows the HI structures are filamentary and mainly parallel to the plane in the outer Galaxy. We also examine the level-crossing statistics, the results of which are described in detail in an accompanying poster by Park et al.

Molecular mechanism of reflectin's tunable biophotonic control: Opportunities and limitations for new optoelectronics

NASA Astrophysics Data System (ADS)

Levenson, Robert; DeMartini, Daniel G.; Morse, Daniel E.

2017-10-01

Discovery that reflectin proteins fill the dynamically tunable Bragg lamellae in the reflective skin cells of certain squids has prompted efforts to design new reflectin-inspired systems for dynamic photonics. But new insights into the actual role and mechanism of action of the reflectins constrain and better define the opportunities and limitations for rationally designing optical systems with reflectin-based components. We and our colleagues have discovered that the reflectins function as a signal-controlled molecular machine, regulating an osmotic motor that tunes the thickness, spacing, and refractive index of the tunable, membrane-bound Bragg lamellae in the iridocytes of the loliginid squids. The tunable reflectin proteins, characterized by a variable number of highly conserved peptide domains interspersed with positively charged linker segments, are restricted in intra- and inter-chain contacts by Coulombic repulsion. Physiologically, this inhibition is progressively overcome by charge-neutralization resulting from acetylcholine (neurotransmitter)-induced, site-specific phosphorylation, triggering the simultaneous activation and progressive tuning of reflectance from red to blue. Details of this process have been resolved through in vitro analyses of purified recombinant reflectins, controlling charge-neutralization by pH-titration or mutation as surrogates for the in vivo phosphorylation. Results of these analyses have shown that neutralization overcoming the Coulombic inhibition reversibly and cyclably triggers condensation and secondary folding of the reflectins, with the emergence of previously cryptic, phase-segregated hydrophobic domains enabling hierarchical assembly. This tunable, reversible, and cyclable assembly regulates the Gibbs-Donnan mediated osmotic shrinking or swelling of the Bragg lamellae that tunes the brightness and color of reflected light. Our most recent studies have revealed a direct relationship between the extent of charge neutralization and the size of the reflectin assemblies, further explaining the synergistic effects on the intensity and wavelength of reflected light. Mutational analyses show that the "switch" controlling reflectins' structural transitions is distributed along the protein, while detailed comparisons of the sequences and structures of the recently evolved tunable reflectins to those of their ancestral, non-tunable homologs are helping to identify the specific structural determinants governing tunability.

Structural Diversity in the Dandelion (Taraxacum officinale) Polyphenol Oxidase Family Results in Different Responses to Model Substrates

PubMed Central

Dirks-Hofmeister, Mareike E.; Singh, Ratna; Leufken, Christine M.; Inlow, Jennifer K.; Moerschbacher, Bruno M.

2014-01-01

Polyphenol oxidases (PPOs) are ubiquitous type-3 copper enzymes that catalyze the oxygen-dependent conversion of o-diphenols to the corresponding quinones. In most plants, PPOs are present as multiple isoenzymes that probably serve distinct functions, although the precise relationship between sequence, structure and function has not been addressed in detail. We therefore compared the characteristics and activities of recombinant dandelion PPOs to gain insight into the structure–function relationships within the plant PPO family. Phylogenetic analysis resolved the 11 isoenzymes of dandelion into two evolutionary groups. More detailed in silico and in vitro analyses of four representative PPOs covering both phylogenetic groups were performed. Molecular modeling and docking predicted differences in enzyme-substrate interactions, providing a structure-based explanation for grouping. One amino acid side chain positioned at the entrance to the active site (position HB2+1) potentially acts as a “selector” for substrate binding. In vitro activity measurements with the recombinant, purified enzymes also revealed group-specific differences in kinetic parameters when the selected PPOs were presented with five model substrates. The combination of our enzyme kinetic measurements and the in silico docking studies therefore indicate that the physiological functions of individual PPOs might be defined by their specific interactions with different natural substrates. PMID:24918587

DIBS: a repository of disordered binding sites mediating interactions with ordered proteins.

PubMed

Schad, Eva; Fichó, Erzsébet; Pancsa, Rita; Simon, István; Dosztányi, Zsuzsanna; Mészáros, Bálint

2018-02-01

Intrinsically Disordered Proteins (IDPs) mediate crucial protein-protein interactions, most notably in signaling and regulation. As their importance is increasingly recognized, the detailed analyses of specific IDP interactions opened up new opportunities for therapeutic targeting. Yet, large scale information about IDP-mediated interactions in structural and functional details are lacking, hindering the understanding of the mechanisms underlying this distinct binding mode. Here, we present DIBS, the first comprehensive, curated collection of complexes between IDPs and ordered proteins. DIBS not only describes by far the highest number of cases, it also provides the dissociation constants of their interactions, as well as the description of potential post-translational modifications modulating the binding strength and linear motifs involved in the binding. Together with the wide range of structural and functional annotations, DIBS will provide the cornerstone for structural and functional studies of IDP complexes. DIBS is freely accessible at http://dibs.enzim.ttk.mta.hu/. The DIBS application is hosted by Apache web server and was implemented in PHP. To enrich querying features and to enhance backend performance a MySQL database was also created. dosztanyi@caesar.elte.hu or bmeszaros@caesar.elte.hu. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press.

Vibro-acoustic performance of newly designed tram track structures

NASA Astrophysics Data System (ADS)

Haladin, Ivo; Lakušić, Stjepan; Ahac, Maja

2017-09-01

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

Magnetic and neutron diffraction study on quaternary oxides MTeMoO6 (M = Mn and Zn)

NASA Astrophysics Data System (ADS)

Doi, Yoshihiro; Suzuki, Ryo; Hinatsu, Yukio; Ohoyama, Kenji

2009-01-01

Crystal structures and magnetic properties of quaternary oxides MTeMoO6 (M = Mn and Zn) were investigated. From the Rietveld analyses for the powder x-ray and neutron diffraction measurements, their detailed structures have been determined. Both compounds have orthorhombic structure with space group P 21212 and a charge configuration of M2+Te4+Mo6+O6. ZnTeMoO6 shows diamagnetic behavior. In this structure, M ions are arranged in a square-planar manner. The temperature dependence of the magnetic susceptibility for MnTeMoO6 shows a broad peak at ~33 K, which is due to a two-dimensional characteristic of the magnetic interaction. In addition, this compound shows an antiferromagnetic transition at 20 K. The magnetic structure was determined by the powder neutron diffraction measurement at 3.3 K. The magnetic moments of Mn2+ ions (4.45 μB) order in a collinear antiferromagnetic arrangement along the b axis.

Structure of the Full-length VEGFR-1 Extracellular Domain in Complex with VEGF-A.

PubMed

Markovic-Mueller, Sandra; Stuttfeld, Edward; Asthana, Mayanka; Weinert, Tobias; Bliven, Spencer; Goldie, Kenneth N; Kisko, Kaisa; Capitani, Guido; Ballmer-Hofer, Kurt

2017-02-07

Vascular endothelial growth factors (VEGFs) regulate blood and lymph vessel development upon activation of three receptor tyrosine kinases: VEGFR-1, -2, and -3. Partial structures of VEGFR/VEGF complexes based on single-particle electron microscopy, small-angle X-ray scattering, and X-ray crystallography revealed the location of VEGF binding and domain arrangement of individual receptor subdomains. Here, we describe the structure of the full-length VEGFR-1 extracellular domain in complex with VEGF-A at 4 Å resolution. We combined X-ray crystallography, single-particle electron microscopy, and molecular modeling for structure determination and validation. The structure reveals the molecular details of ligand-induced receptor dimerization, in particular of homotypic receptor interactions in immunoglobulin homology domains 4, 5, and 7. Functional analyses of ligand binding and receptor activation confirm the relevance of these homotypic contacts and identify them as potential therapeutic sites to allosterically inhibit VEGFR-1 activity. Copyright © 2017 Elsevier Ltd. All rights reserved.

Graphite carbon nitride/boron-doped graphene hybrid for efficient hydrogen generation reaction.

PubMed

Yang, Liang; Wang, Xin; Wang, Juan; Cui, Guomin; Liu, Daoping

2018-08-24

Metal-free carbon materials, with tuned surface chemical and electronic properties, hold great potential for the hydrogen evolution reaction (HER). We designed and synthesized a CN/BG hybrid electrocatalytic system with a porous and active graphite carbon nitride (CN) layer on boron-doped graphene (BG). A porous CN layer on graphene could provide exposed defects and edges that act as active sites for proton adsorption and reduction. The composition, structure, surface electronics, and chemical properties of this CN/BG hybrid system were tuned to obtain excellent HER activity and stability. Detailed surface chemical, morphological, and structural analyses demonstrated the synergetic effect arising from the electronic interaction between CN and BG, which contributed to the enhanced electrocatalytic performances.

Global optimization of small bimetallic Pd-Co binary nanoalloy clusters: a genetic algorithm approach at the DFT level.

PubMed

Aslan, Mikail; Davis, Jack B A; Johnston, Roy L

2016-03-07

The global optimisation of small bimetallic PdCo binary nanoalloys are systematically investigated using the Birmingham Cluster Genetic Algorithm (BCGA). The effect of size and composition on the structures, stability, magnetic and electronic properties including the binding energies, second finite difference energies and mixing energies of Pd-Co binary nanoalloys are discussed. A detailed analysis of Pd-Co structural motifs and segregation effects is also presented. The maximal mixing energy corresponds to Pd atom compositions for which the number of mixed Pd-Co bonds is maximised. Global minimum clusters are distinguished from transition states by vibrational frequency analysis. HOMO-LUMO gap, electric dipole moment and vibrational frequency analyses are made to enable correlation with future experiments.

CIRCAL-2 - General-purpose on-line circuit design.

NASA Technical Reports Server (NTRS)

Dertouzos, M. L.; Jessel, G. P.; Stinger, J. R.

1972-01-01

CIRCAL-2 is a second-generation general-purpose on-line circuit-design program with the following main features: (1) multiple-analysis capability; (2) uniform and general data structures for handling text editing, network representations, and output results, regardless of analysis; (3) special techniques and structures for minimizing and controlling user-program interaction; (4) use of functionals for the description of hysteresis and heat effects; and (5) ability to define optimization procedures that 'replace' the user. The paper discusses the organization of CIRCAL-2, the aforementioned main features, and their consequences, such as a set of network elements and models general enough for most analyses and a set of functions tailored to circuit-design requirements. The presentation is descriptive, concentrating on conceptual rather than on program implementation details.

The NASA High Speed ASE Project: Computational Analyses of a Low-Boom Supersonic Configuration

NASA Technical Reports Server (NTRS)

Silva, Walter A.; DeLaGarza, Antonio; Zink, Scott; Bounajem, Elias G.; Johnson, Christopher; Buonanno, Michael; Sanetrik, Mark D.; Yoo, Seung Y.; Kopasakis, George; Christhilf, David M.;

Classification of processes involved in sharing individual participant data from clinical trials.

PubMed

Ohmann, Christian; Canham, Steve; Banzi, Rita; Kuchinke, Wolfgang; Battaglia, Serena

2018-01-01

Background: In recent years, a cultural change in the handling of data from research has resulted in the strong promotion of a culture of openness and increased sharing of data. In the area of clinical trials, sharing of individual participant data involves a complex set of processes and the interaction of many actors and actions. Individual services/tools to support data sharing are available, but what is missing is a detailed, structured and comprehensive list of processes/subprocesses involved and tools/services needed. Methods : Principles and recommendations from a published data sharing consensus document are analysed in detail by a small expert group. Processes/subprocesses involved in data sharing are identified and linked to actors and possible services/tools. Definitions are adapted from the business process model and notation (BPMN) and applied in the analysis. Results: A detailed and comprehensive list of individual processes/subprocesses involved in data sharing, structured according to 9 main processes, is provided. Possible tools/services to support these processes/subprocesses are identified and grouped according to major type of support. Conclusions: The list of individual processes/subprocesses and tools/services identified is a first step towards development of a generic framework or architecture for sharing of data from clinical trials. Such a framework is strongly needed to give an overview of how various actors, research processes and services could form an interoperable system for data sharing.

Classification of processes involved in sharing individual participant data from clinical trials

PubMed Central

Ohmann, Christian; Canham, Steve; Banzi, Rita; Kuchinke, Wolfgang; Battaglia, Serena

2018-01-01

Background: In recent years, a cultural change in the handling of data from research has resulted in the strong promotion of a culture of openness and increased sharing of data. In the area of clinical trials, sharing of individual participant data involves a complex set of processes and the interaction of many actors and actions. Individual services/tools to support data sharing are available, but what is missing is a detailed, structured and comprehensive list of processes/subprocesses involved and tools/services needed. Methods: Principles and recommendations from a published data sharing consensus document are analysed in detail by a small expert group. Processes/subprocesses involved in data sharing are identified and linked to actors and possible services/tools. Definitions are adapted from the business process model and notation (BPMN) and applied in the analysis. Results: A detailed and comprehensive list of individual processes/subprocesses involved in data sharing, structured according to 9 main processes, is provided. Possible tools/services to support these processes/subprocesses are identified and grouped according to major type of support. Conclusions: The list of individual processes/subprocesses and tools/services identified is a first step towards development of a generic framework or architecture for sharing of data from clinical trials. Such a framework is strongly needed to give an overview of how various actors, research processes and services could form an interoperable system for data sharing. PMID:29623192

A novel approach for modelling vegetation distributions and analysing vegetation sensitivity through trait-climate relationships in China

PubMed Central

Yang, Yanzheng; Zhu, Qiuan; Peng, Changhui; Wang, Han; Xue, Wei; Lin, Guanghui; Wen, Zhongming; Chang, Jie; Wang, Meng; Liu, Guobin; Li, Shiqing

2016-01-01

Increasing evidence indicates that current dynamic global vegetation models (DGVMs) have suffered from insufficient realism and are difficult to improve, particularly because they are built on plant functional type (PFT) schemes. Therefore, new approaches, such as plant trait-based methods, are urgently needed to replace PFT schemes when predicting the distribution of vegetation and investigating vegetation sensitivity. As an important direction towards constructing next-generation DGVMs based on plant functional traits, we propose a novel approach for modelling vegetation distributions and analysing vegetation sensitivity through trait-climate relationships in China. The results demonstrated that a Gaussian mixture model (GMM) trained with a LMA-Nmass-LAI data combination yielded an accuracy of 72.82% in simulating vegetation distribution, providing more detailed parameter information regarding community structures and ecosystem functions. The new approach also performed well in analyses of vegetation sensitivity to different climatic scenarios. Although the trait-climate relationship is not the only candidate useful for predicting vegetation distributions and analysing climatic sensitivity, it sheds new light on the development of next-generation trait-based DGVMs. PMID:27052108

A guide to analysis and reconstruction of serial block face scanning electron microscopy data

PubMed Central

TAGGART, M.; RIND, F.C.; WHITE, K.

2018-01-01

Summary Serial block face scanning electron microscopy (SBF‐SEM) is a relatively new technique that allows the acquisition of serially sectioned, imaged and digitally aligned ultrastructural data. There is a wealth of information that can be obtained from the resulting image stacks but this presents a new challenge for researchers – how to computationally analyse and make best use of the large datasets produced. One approach is to reconstruct structures and features of interest in 3D. However, the software programmes can appear overwhelming, time‐consuming and not intuitive for those new to image analysis. There are a limited number of published articles that provide sufficient detail on how to do this type of reconstruction. Therefore, the aim of this paper is to provide a detailed step‐by‐step protocol, accompanied by tutorial videos, for several types of analysis programmes that can be used on raw SBF‐SEM data, although there are more options available than can be covered here. To showcase the programmes, datasets of skeletal muscle from foetal and adult guinea pigs are initially used with procedures subsequently applied to guinea pig cardiac tissue and locust brain. The tissue is processed using the heavy metal protocol developed specifically for SBF‐SEM. Trimmed resin blocks are placed into a Zeiss Sigma SEM incorporating the Gatan 3View and the resulting image stacks are analysed in three different programmes, Fiji, Amira and MIB, using a range of tools available for segmentation. The results from the image analysis comparison show that the analysis tools are often more suited to a particular type of structure. For example, larger structures, such as nuclei and cells, can be segmented using interpolation, which speeds up analysis; single contrast structures, such as the nucleolus, can be segmented using the contrast‐based thresholding tools. Knowing the nature of the tissue and its specific structures (complexity, contrast, if there are distinct membranes, size) will help to determine the best method for reconstruction and thus maximize informative output from valuable tissue. PMID:29333754

A guide to analysis and reconstruction of serial block face scanning electron microscopy data.

PubMed

Cocks, E; Taggart, M; Rind, F C; White, K

2018-05-01

Serial block face scanning electron microscopy (SBF-SEM) is a relatively new technique that allows the acquisition of serially sectioned, imaged and digitally aligned ultrastructural data. There is a wealth of information that can be obtained from the resulting image stacks but this presents a new challenge for researchers - how to computationally analyse and make best use of the large datasets produced. One approach is to reconstruct structures and features of interest in 3D. However, the software programmes can appear overwhelming, time-consuming and not intuitive for those new to image analysis. There are a limited number of published articles that provide sufficient detail on how to do this type of reconstruction. Therefore, the aim of this paper is to provide a detailed step-by-step protocol, accompanied by tutorial videos, for several types of analysis programmes that can be used on raw SBF-SEM data, although there are more options available than can be covered here. To showcase the programmes, datasets of skeletal muscle from foetal and adult guinea pigs are initially used with procedures subsequently applied to guinea pig cardiac tissue and locust brain. The tissue is processed using the heavy metal protocol developed specifically for SBF-SEM. Trimmed resin blocks are placed into a Zeiss Sigma SEM incorporating the Gatan 3View and the resulting image stacks are analysed in three different programmes, Fiji, Amira and MIB, using a range of tools available for segmentation. The results from the image analysis comparison show that the analysis tools are often more suited to a particular type of structure. For example, larger structures, such as nuclei and cells, can be segmented using interpolation, which speeds up analysis; single contrast structures, such as the nucleolus, can be segmented using the contrast-based thresholding tools. Knowing the nature of the tissue and its specific structures (complexity, contrast, if there are distinct membranes, size) will help to determine the best method for reconstruction and thus maximize informative output from valuable tissue. © 2018 The Authors. Journal of Microscopy published by John Wiley & Sons Ltd on behalf of Royal Microscopical Society.

Synthesis-atomic structure-properties relationships in metallic nanoparticles by total scattering experiments and 3D computer simulations: case of Pt-Ru nanoalloy catalysts

NASA Astrophysics Data System (ADS)

Prasai, Binay; Ren, Yang; Shan, Shiyao; Zhao, Yinguang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian; Petkov, Valeri

2015-04-01

An approach to determining the 3D atomic structure of metallic nanoparticles (NPs) in fine detail and using the unique knowledge obtained for rationalizing their synthesis and properties targeted for optimization is described and exemplified on Pt-Ru alloy NPs of importance to the development of devices for clean energy conversion such as fuel cells. In particular, PtxRu100-x alloy NPs, where x = 31, 49 and 75, are synthesized by wet chemistry and activated catalytically by a post-synthesis treatment involving heating under controlled N2-H2 atmosphere. So-activated NPs are evaluated as catalysts for gas-phase CO oxidation and ethanol electro-oxidation reactions taking place in fuel cells. Both as-synthesized and activated NPs are characterized structurally by total scattering experiments involving high-energy synchrotron X-ray diffraction coupled to atomic pair distribution functions (PDFs) analysis. 3D structure models both for as-synthesized and activated NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modelling Sutton-Chen method. Models are refined against the experimental PDF data by reverse Monte Carlo simulations and analysed in terms of prime structural characteristics such as metal-to-metal bond lengths, bond angles and first coordination numbers for Pt and Ru atoms. Analysis indicates that, though of a similar type, the atomic structure of as-synthesized and respective activated NPs differ in several details of importance to NP catalytic properties. Structural characteristics of activated NPs and data for their catalytic activity are compared side by side and strong evidence found that electronic effects, indicated by significant changes in Pt-Pt and Ru-Ru metal bond lengths at NP surface, and practically unrecognized so far atomic ensemble effects, indicated by distinct stacking of atomic layers near NP surface and prevalence of particular configurations of Pt and Ru atoms in these layers, contribute to the observed enhancement of the catalytic activity of PtxRu100-x alloy NPs at x ~ 50. Implications of so-established relationships between the atomic structure and catalytic activity of Pt-Ru alloy NPs on efforts aimed at improving further the latter by tuning-up the former are discussed and the usefulness of detailed NP structure studies to advancing science and technology of metallic NPs - exemplified.An approach to determining the 3D atomic structure of metallic nanoparticles (NPs) in fine detail and using the unique knowledge obtained for rationalizing their synthesis and properties targeted for optimization is described and exemplified on Pt-Ru alloy NPs of importance to the development of devices for clean energy conversion such as fuel cells. In particular, PtxRu100-x alloy NPs, where x = 31, 49 and 75, are synthesized by wet chemistry and activated catalytically by a post-synthesis treatment involving heating under controlled N2-H2 atmosphere. So-activated NPs are evaluated as catalysts for gas-phase CO oxidation and ethanol electro-oxidation reactions taking place in fuel cells. Both as-synthesized and activated NPs are characterized structurally by total scattering experiments involving high-energy synchrotron X-ray diffraction coupled to atomic pair distribution functions (PDFs) analysis. 3D structure models both for as-synthesized and activated NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modelling Sutton-Chen method. Models are refined against the experimental PDF data by reverse Monte Carlo simulations and analysed in terms of prime structural characteristics such as metal-to-metal bond lengths, bond angles and first coordination numbers for Pt and Ru atoms. Analysis indicates that, though of a similar type, the atomic structure of as-synthesized and respective activated NPs differ in several details of importance to NP catalytic properties. Structural characteristics of activated NPs and data for their catalytic activity are compared side by side and strong evidence found that electronic effects, indicated by significant changes in Pt-Pt and Ru-Ru metal bond lengths at NP surface, and practically unrecognized so far atomic ensemble effects, indicated by distinct stacking of atomic layers near NP surface and prevalence of particular configurations of Pt and Ru atoms in these layers, contribute to the observed enhancement of the catalytic activity of PtxRu100-x alloy NPs at x ~ 50. Implications of so-established relationships between the atomic structure and catalytic activity of Pt-Ru alloy NPs on efforts aimed at improving further the latter by tuning-up the former are discussed and the usefulness of detailed NP structure studies to advancing science and technology of metallic NPs - exemplified. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modelling methodology. See DOI: 10.1039/c5nr00800j

Simulating nitrogen budgets in complex farming systems using INCA: calibration and scenario analyses for the Kervidy catchment (W. France)

NASA Astrophysics Data System (ADS)

Durand, P.

The integrated nitrogen model INCA (Integrated Nitrogen in Catchments) was used to analyse the nitrogen dynamics in a small rural catchment in Western France. The agrosystem studied is very complex, with: extensive use of different organic fertilisers, a variety of crop rotations, a structural excess of nitrogen (i.e. more animal N produced by the intensive farming than the N requirements of the crops and pastures), and nitrate retention in both hydrological stores and riparian zones. The original model features were adapted here to describe this complexity. The calibration results are satisfactory, although the daily variations in stream nitrate are not simulated in detail. Different climate scenarios, based on observed climate records, were tested; all produced a worsening of the pollution in the short term. Scenarios of alternative agricultural practices (reduced fertilisation and catch crops) were also analysed, suggesting that a reduction by 40% of the fertilisation combined with the introduction of catch crops would be necessary to stop the degradation of water quality.

Phylogeographic reconstruction of African yellow fever virus isolates indicates recent simultaneous dispersal into east and west Africa.

PubMed

Beck, Andrew; Guzman, Hilda; Li, Li; Ellis, Brett; Tesh, Robert B; Barrett, Alan D T

2013-01-01

Yellow fever virus (YFV) is a mosquito-borne flavivirus that is a major public health problem in tropical areas of Africa and South America. There have been detailed studies on YFV ecology in West Africa and South America, but current understanding of YFV circulation on the African continent is incomplete. This inadequacy is especially notable for East and Central Africa, for which the unpredictability of human outbreaks is compounded by limitations in both historical and present surveillance efforts. Sparse availability of nucleotide sequence data makes it difficult to investigate the dispersal of YFV in these regions of the continent. To remedy this, we constructed Bayesian phylogenetic and geographic analyses utilizing 49 partial genomic sequences to infer the structure of YFV divergence across the known range of the virus on the African continent. Relaxed clock analysis demonstrated evidence for simultaneous divergence of YFV into east and west lineages, a finding that differs from previous hypotheses of YFV dispersal from reservoirs located on edges of the endemic range. Using discrete and continuous geographic diffusion models, we provide detailed structure of YFV lineage diversity. Significant transition links between extant East and West African lineages are presented, implying connection between areas of known sylvatic cycling. The results of demographic modeling reinforce the existence of a stably maintained population of YFV with spillover events into human populations occurring periodically. Geographically distinct foci of circulation are reconstructed, which have significant implications for studies of YFV ecology and emergence of human disease. We propose further incorporation of Bayesian phylogeography into formal GIS analyses to augment studies of arboviral disease.

Computational study of sheath structure in oxygen containing plasmas at medium pressures

NASA Astrophysics Data System (ADS)

Hrach, Rudolf; Novak, Stanislav; Ibehej, Tomas; Hrachova, Vera

2016-09-01

Plasma mixtures containing active species are used in many plasma-assisted material treatment technologies. The analysis of such systems is rather difficult, as both physical and chemical processes affect plasma properties. A combination of experimental and computational approaches is the best suited, especially at higher pressures and/or in chemically active plasmas. The first part of our study of argon-oxygen mixtures was based on experimental results obtained in the positive column of DC glow discharge. The plasma was analysed by the macroscopic kinetic approach which is based on the set of chemical reactions in the discharge. The result of this model is a time evolution of the number densities of each species. In the second part of contribution the detailed analysis of processes taking place during the interaction of oxygen containing plasma with immersed substrates was performed, the results of the first model being the input parameters. The used method was the particle simulation technique applied to multicomponent plasma. The sheath structure and fluxes of charged particles to substrates were analysed in the dependence on plasma pressure, plasma composition and surface geometry.

Well-being of intensive care nurses (WEBIC): a job analytic approach.

PubMed

Le Blanc, P M; de Jonge, J; de Rijk, A E; Schaufeli, W B

2001-11-01

This paper presents the results of a validation study of the so-called well-being of intensive care nurses (WEBIC)-questionnaire that is designed to perform a detailed job analysis of intensive care unit (ICU) nurses' jobs. The WEBIC-questionnaire is based on modern sociotechnical systems theory, and distinguishes four integrated task categories: (1) operational, (2) organizing, (3) preparatory, and (4) supportive tasks. For each task, the WEBIC assesses (1) how demanding this task is, and (2) how satisfying the performance of this task is. Using the WEBIC, information is gathered about ICU nurses' qualitative workload, and typical job-related risks for ICU nurses' well-being at work can be mapped. A cross-sectional survey on work and well-being of almost 2000 ICU-nurses in 13 different European areas was conducted. Exploratory factor analyses were performed to study the validity of the factorial structure of the WEBIC-questionnaire. The construct validity of the WEBIC-questionnaire was studied by performing hierarchical multiple regression analyses of the WEBIC-factors on two types of job-related well-being, i.e. burnout and general job satisfaction. Results of the exploratory factor analyses showed that the hypothesized four-factor structure of the WEBIC is confirmed by our data. Internal consistencies of the different factors varied from 0.77 to 0.91. Intensive care unit nurses' most central (operational) tasks turned out to pose the greatest demands, but also seemed to drive their satisfaction. With respect to the relationships between the four WEBIC-factors, and burnout and general job satisfaction, it was found that, especially for the satisfying tasks, significant relationships with these outcomes were found. The reliability and construct validity of the WEBIC-questionnaire can be considered satisfactory. Furthermore, the questionnaire provides a systematical and detailed coverage of ICU nurses' tasks. In relation to this, the questionnaire is not only useful for scientific purposes but also for practical use.

Geophysical exploration of historical mine dumps for the estimation of valuable residuals

NASA Astrophysics Data System (ADS)

Martin, Tina; Knieß, Rudolf; Noell, Ursula; Hupfer, Sarah; Kuhn, Kerstin; Günther, Thomas

2015-04-01

Within the project ROBEHA, funded by the German Federal Ministry of Education and Research (033R105) the economic potential of different abandoned dump sites for mine waste in the Harz Mountains was investigated. Two different mining dumps were geophysically and mineralogically analysed in order to characterize the mine dump structure and to estimate the volume of the potential recycling material. The geophysical methods comprised geoelectrics, radar, and spectral induced polarization (SIP). One about 100-year old mining dump containing residues from density separated Ag- and Sb-rich Pb (Zn)-gangue ores was investigated in detail. Like most small-scale mining waste disposal sites this investigated dump is very heterogeneously structured. Therefore, 27 geoelectrical profiles, more than 50 radar profiles, and several SIP profiles were measured and analysed. The results from the radar measurements, registered with the GSSI system and a shielded 200 MHz antenna, show the near surface boundary layer (down to 3-4 m beneath surface) of the waste residuals. These results can be used as pre-information for the inversion process of the geoelectrical data. The geoelectrical results reveal the mineral residues as layers with higher resistivities (> 300 Ohm*m) than the surrounding material. The SIP method found low phase signals (< 0.5°) for the residues. To estimate the volume of the potentially reusable material we analysed each geoelectrical profile and interpolated between the single profiles using the BERT algorithm. Taking into account the wooded areas of the mine dump and other parameters we get a first estimate for the volume of the residues but the economical viability and the environmental impact of the reworking of the dump still needs to be evaluated in detail. The results of the second mine dump, an abandoned Cu and Zn-rich slag heap, show that the slag residues are characterized by higher resistivities and higher phases. A localization of the slag residues which are covered by organic material could be realized applying these geophysical methods.

Study on Detailing Design of Precast Concrete Frame Structure

NASA Astrophysics Data System (ADS)

Lida, Tian; Liming, Li; Kang, Liu; Jiao, Geng; Ming, Li

2018-03-01

Taking a certain precast concrete frame structure as an example, this paper introduces the general procedures and key points in detailing design of emulative cast-in-place prefabricated structure from the aspects of structural scheme, precast element layout, shop drawing design and BIM 3D modelling. This paper gives a practical solution for the detailing design of precast concrete frame structure under structural design codes in China.

Proton channel models

PubMed Central

Pupo, Amaury; Baez-Nieto, David; Martínez, Agustín; Latorre, Ramón; González, Carlos

2014-01-01

Voltage-gated proton channels are integral membrane proteins with the capacity to permeate elementary particles in a voltage and pH dependent manner. These proteins have been found in several species and are involved in various physiological processes. Although their primary topology is known, lack of details regarding their structures in the open conformation has limited analyses toward a deeper understanding of the molecular determinants of their function and regulation. Consequently, the function-structure relationships have been inferred based on homology models. In the present work, we review the existing proton channel models, their assumptions, predictions and the experimental facts that support them. Modeling proton channels is not a trivial task due to the lack of a close homolog template. Hence, there are important differences between published models. This work attempts to critically review existing proton channel models toward the aim of contributing to a better understanding of the structural features of these proteins. PMID:24755912

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

Jackson, R.N.; Robinson, H.; Klauer, A. A.

The essential RNA helicase, Mtr4, performs a critical role in RNA processing and degradation as an activator of the nuclear exosome. The molecular basis for this vital function is not understood and detailed analysis is significantly limited by the lack of structural data. In this study, we present the crystal structure of Mtr4. The structure reveals a new arch-like domain that is specific to Mtr4 and Ski2 (the cytosolic homologue of Mtr4). In vivo and in vitro analyses demonstrate that the Mtr4 arch domain is required for proper 5.8S rRNA processing, and suggest that the arch functions independently of canonicalmore » helicase activity. In addition, extensive conservation along the face of the putative RNA exit site highlights a potential interface with the exosome. These studies provide a molecular framework for understanding fundamental aspects of helicase function in exosome activation, and more broadly define the molecular architecture of Ski2-like helicases.« less

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

NASA Astrophysics Data System (ADS)

Rui, Wang; Changzheng, Li; Xiaofei, Yan

2018-03-01

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

Three-dimensional Organization of Layered Apical Cytoskeletal Networks Associated with Mouse Airway Tissue Development

NASA Astrophysics Data System (ADS)

Tateishi, Kazuhiro; Nishida, Tomoki; Inoue, Kanako; Tsukita, Sachiko

2017-03-01

The cytoskeleton is an essential cellular component that enables various sophisticated functions of epithelial cells by forming specialized subcellular compartments. However, the functional and structural roles of cytoskeletons in subcellular compartmentalization are still not fully understood. Here we identified a novel network structure consisting of actin filaments, intermediate filaments, and microtubules directly beneath the apical membrane in mouse airway multiciliated cells and in cultured epithelial cells. Three-dimensional imaging by ultra-high voltage electron microscopy and immunofluorescence revealed that the morphological features of each network depended on the cell type and were spatiotemporally integrated in association with tissue development. Detailed analyses using Odf2 mutant mice, which lack ciliary basal feet and apical microtubules, suggested a novel contribution of the intermediate filaments to coordinated ciliary beating. These findings provide a new perspective for viewing epithelial cell differentiation and tissue morphogenesis through the structure and function of apical cytoskeletal networks.

Deformation analysis of MEMS structures by modified digital moiré methods

NASA Astrophysics Data System (ADS)

Liu, Zhanwei; Lou, Xinhao; Gao, Jianxin

2010-11-01

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

Tunable band-stop plasmonic filter based on square ring resonators in a metal-insulator-metal structure

NASA Astrophysics Data System (ADS)

Zavvari, Mahdi; Taleb Hesami Azar, Milad; Arashmehr, Armin

2017-11-01

A novel high-performance plasmonic filter based on a metal-insulator-metal structure is analysed for band-rejection applications. A square ring is used in proximity to the waveguide in order to resonate with some transmitted wavelengths and drop them to prevent from propagation towards the output. The effect of the structural parameters of square ring resonator is studied deploying the finite difference time domain method and the possibility of tuning the rejected wavelength is investigated in detail. The simulation results demonstrate that the rejected wavelength has a red-shift with increase in the size of the ring's dimensions. A further study is carried out considering narrowing the bandwidth. To improve the quality factor of the proposed filter, a small ring within the resonator is introduced that considerably decreases the bandwidth of the peak with respect to its central wavelength.

A new series of lanthanide coordination polymers with 2,2‧-bipyridine and glutaric acid: Synthesis, crystal structures and properties of [Ln(bipy)(glut)(NO3)

NASA Astrophysics Data System (ADS)

Wang, Chunguang; Xing, Yongheng; Li, Zhangpeng; Li, Jing; Zeng, Xiaoqing; Ge, Maofa; Niu, Shuyun

2009-08-01

A series of new lanthanide coordination polymers, with the formula [Ln(bipy)(glut)(NO 3)] (Ln = Eu ( 1), Tb ( 2), Sm ( 3), Pr ( 4); bipy = 2,2'-bipyridine; H 2glut = glutaric acid), have been synthesized under the hydrothermal condition and characterized by elemental analysis, IR spectroscopy, powder X-ray diffraction, and single-crystal X-ray diffraction. Structural analyses reveal that all four complexes are isostructural and crystallized in monoclinic system, P2 1/ c space group. For these complexes, the Ln 3+ are all linked through glutaric acid ligands to form 1D chain-like polymeric structures, and bipy and NO3- are coordinated on two sides of the chains. The thermogravimetric analysis of 1 and photoluminescent properties of 1 and 2 are discussed in detail.

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

PubMed

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

2012-02-05

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

Earthquake Damping Device for Steel Frame

NASA Astrophysics Data System (ADS)

Zamri Ramli, Mohd; Delfy, Dezoura; Adnan, Azlan; Torman, Zaida

2018-04-01

Structures such as buildings, bridges and towers are prone to collapse when natural phenomena like earthquake occurred. Therefore, many design codes are reviewed and new technologies are introduced to resist earthquake energy especially on building to avoid collapse. The tuned mass damper is one of the earthquake reduction products introduced on structures to minimise the earthquake effect. This study aims to analyse the effectiveness of tuned mass damper by experimental works and finite element modelling. The comparisons are made between these two models under harmonic excitation. Based on the result, it is proven that installing tuned mass damper will reduce the dynamic response of the frame but only in several input frequencies. At the highest input frequency applied, the tuned mass damper failed to reduce the responses. In conclusion, in order to use a proper design of damper, detailed analysis must be carried out to have sufficient design based on the location of the structures with specific ground accelerations.

Ballistic aggregation in systems of inelastic particles: Cluster growth, structure, and aging

NASA Astrophysics Data System (ADS)

Paul, Subhajit; Das, Subir K.

2017-07-01

We study far-from-equilibrium dynamics in models of freely cooling granular gas and ballistically aggregating compact clusters. For both the cases, from event-driven molecular dynamics simulations, we have presented detailed results on structure and dynamics in space dimensions d =1 and 2. Via appropriate analyses it has been confirmed that the ballistic aggregation mechanism applies in d =1 granular gases as well. Aging phenomena for this mechanism, in both the dimensions, have been studied via the two-time density autocorrelation function. This quantity is demonstrated to exhibit scaling property similar to that in the standard phase transition kinetics. The corresponding functional forms have been quantified and the outcomes have been discussed in connection with the structural properties. Our results on aging establish a more complete equivalence between the granular gas and the ballistic aggregation models in d =1 .

Methylation analysis of polysaccharides: Technical advice.

PubMed

Sims, Ian M; Carnachan, Susan M; Bell, Tracey J; Hinkley, Simon F R

2018-05-15

Glycosyl linkage (methylation) analysis is used widely for the structural determination of oligo- and poly-saccharides. The procedure involves derivatisation of the individual component sugars of a polysaccharide to partially methylated alditol acetates which are analysed and quantified by gas chromatography-mass spectrometry. The linkage positions for each component sugar can be determined by correctly identifying the partially methylated alditol acetates. Although the methods are well established, there are many technical aspects to this procedure and both careful attention to detail and considerable experience are required to achieve a successful methylation analysis and to correctly interpret the data generated. The aim of this article is to provide the technical details and critical procedural steps necessary for a successful methylation analysis and to assist researchers (a) with interpreting data correctly and (b) in providing the comprehensive data required for reviewers to fully assess the work. Copyright © 2018 Elsevier Ltd. All rights reserved.

Electrowetting-actuated zoom lens with spherical-interface liquid lenses.

PubMed

Peng, Runling; Chen, Jiabi; Zhuang, Songlin

2008-11-01

The interface shape of two immiscible liquids in a conical chamber is discussed. The analytical solution of the differential equation describing the interface shape shows that the interface shape is completely spherical when the density difference of two liquids is zero. On the basis of the spherical-interface shape and an energy-minimization method, explicit calculations and detailed analyses of an extended Young-type equation for the conical double-liquid lens are given. Finally, a novel design of a zoom lens system without motorized movements is proposed. The lens system consists of a fixed lens and two conical double-liquid variable-focus lenses. The structure and principle of the lens system are introduced in this paper. Taking finite objects as example, detailed calculations and simulation examples are presented to predict how two liquid lenses are related to meet the basic requirements of zoom lenses.

Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory† †Electronic supplementary information (ESI) available: Experimental and computational details, as well as further details on the results and analyses. See DOI: 10.1039/c7nr07319d

PubMed Central

Meier, Matthias; Jakub, Zdeněk; Balajka, Jan; Hulva, Jan; Bliem, Roland; Thakur, Pardeep K.; Lee, Tien-Lin; Franchini, Cesare; Schmid, Michael; Diebold, Ulrike; Allegretti, Francesco; Parkinson, Gareth S.

2018-01-01

Accurately modelling the structure of a catalyst is a fundamental prerequisite for correctly predicting reaction pathways, but a lack of clear experimental benchmarks makes it difficult to determine the optimal theoretical approach. Here, we utilize the normal incidence X-ray standing wave (NIXSW) technique to precisely determine the three dimensional geometry of Ag1 and Cu1 adatoms on Fe3O4(001). Both adatoms occupy bulk-continuation cation sites, but with a markedly different height above the surface (0.43 ± 0.03 Å (Cu1) and 0.96 ± 0.03 Å (Ag1)). HSE-based calculations accurately predict the experimental geometry, but the more common PBE + U and PBEsol + U approaches perform poorly. PMID:29334395

The carbon isotope biogeochemistry of the individual hydrocarbons in bat guano and the ecology of the insectivorous bats in the region of Carlsbad, New Mexico

NASA Technical Reports Server (NTRS)

Des Marais, D. J.; Mitchell, J. M.; Meinschein, W. G.; Hayes, J. M.

1980-01-01

The structures and C-13 contents of individual hydrocarbons extracted from bat guano found in the Carlsbad region of New Mexico are analyzed in order to elucidate details of the carbon flow in the plant-insect-bat ecosystem. Carbon isotopic analyses indicate that equivalent numbers of plants with C3 and C4 photosynthetic pathways occupy the feeding area of the bats, which supports alfalfa and cotton as well as native plants. The molecular composition of the guano is consistent with an origin in two distinct populations of insects with different feeding habits, one of which may graze predominantly on crops. It is also pointed out that isotopic analyses of more ancient guano deposits may be useful in characterizing prevalent vegetation and climate of earlier periods.

A photoelectron spectroscopic investigation of vinyl fluoride (C2H3F): the HeI, threshold and CIS photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Locht, R.; Leyh, B.; Dehareng, D.; Hottmann, K.; Baumgärtel, H.

2010-01-01

The threshold photoelectron spectrum (TPES) and the constant ion state (CIS) spectra of the individual ionic states of C2H3F have been recorded using synchrotron radiation. For comparison a well-resolved HeI photoelectron spectrum (HeI-PES) has also been measured and analysed in detail. The TPES has been measured between 9.5 eV and 35 eV photon energy. Numerous vibrational structures, reported for the first time, observed in the ground state and the six excited states of the cation are analysed. Quantum chemical calculations have been performed and provide strong support to the assignments. State-selected CIS spectra highlighted the major importance of autoionization for the production of almost all ionized states of C2H3F observed in this work.

A little adjustment of synthetic strategy led to a new highly repeated heteropolyblue: Structure, characterizations and photocatalytic properties

NASA Astrophysics Data System (ADS)

Chen, Wu-Hua; Zhang, Zhu-Sen; Zhao, Jin-Hua; Qiu, Ze-Hai; Yuan, Qiu-Lan; Huang, Tian-Fu; Lin, Xue-Yu; Hu, Zhi-Biao

2017-06-01

Hydrothermal synthesis is known as the most efficient method to prepare novel structural polyoxometalate (POM)-based materials, but controlled synthesis of a structure-directing POM is always challenging task. The experimental repeatability is usually one of the key topics. To explore a reliable hydrothermal synthesis approach for new POMs will be a meaningful work. Our previous work, which we have hydrothermally synthesized the first Cr-complexes-capped Keggin-type POM, [Hdma]3[H2phen]{[Cr(phen)]2[MoV8MoVI4O36(PO4)]}·nH2O (n ≈ 2) (Chen et al., polyhedron, 2015, 85, 117), afford us some commendable synthetic experiences, arouse us some introspections as well for its tricky preparation conditions and low experimental repeatability. Based on the aforementioned work, a new high-repetition-rate and more steady heteropolyblue, [H3O]0.5(Hdma)2.5(dma)0.25{[Cr(phen)]2[MoV6MoVI6O8(PO4)]}·2H2O (1) (dma = dimethylamine (C2H7N), phen = 1,10-phenanthroline (C12H8N2)), has been successfully obtained by virtue of reasonably adjusting synthetic strategy. The adjustment of synthetic strategy includes controlling ratio of reactants and aging time, reasonably using redoxes and stepwise self-assembly plans. Compound 1 is the second POM with Keggin-type polyanion capped by Cr-complexes. Experiments demonstrate that compound 1 has good catalytic activity in the both degradation reactions of rhodamine B (RHB) and methyl orange (MO) under ultraviolet (UV)-light and oxidant H2O2 conditions. Detailed structural characterizations include single-crystal X-ray diffraction (XRD) analyses, energy-dispersive X-ray spectrometry (EDS) analyses, elemental analyses, cerate oxidimetry, powder XRD, fourier transform infrared (FT-IR) spectroscopy, ultraviolet-visible-near-infrared (UV-Vis-NIR) solid diffuse reflection spectrum and X-ray photoelectron spectroscopy (XPS) analyses. The electrochemical property (cyclic voltammetry (CV)) of compound 1 has also been studied.

The use of porcine corrosion casts for teaching human anatomy.

PubMed

Eberlova, Lada; Liska, Vaclav; Mirka, Hynek; Tonar, Zbynek; Haviar, Stanislav; Svoboda, Milos; Benes, Jan; Palek, Richard; Emingr, Michal; Rosendorf, Jachym; Mik, Patrik; Leupen, Sarah; Lametschwandtner, Alois

2017-09-01

In teaching and learning human anatomy, anatomical autopsy and prosected specimens have always been indispensable. However, alternative methods must often be used to demonstrate particularly delicate structures. Corrosion casting of porcine organs with Biodur E20 ® Plus is valuable for teaching and learning both gross anatomy and, uniquely, the micromorphology of cardiovascular, respiratory, digestive, and urogenital systems. Assessments of casts with a stereomicroscope and/or scanning electron microscope as well as highlighting cast structures using color coding help students to better understand how the structures that they have observed as two-dimensional images actually exist in three dimensions, and students found using the casts to be highly effective in their learning. Reconstructions of cast hollow structures from (micro-)computed tomography scans and videos facilitate detailed analyses of branching patterns and spatial arrangements in cast structures, aid in the understanding of clinically relevant structures and provide innovative visual aids. The casting protocol and teaching manual we offer can be adjusted to different technical capabilities and might also be found useful for veterinary or other biological science classes. Copyright © 2017 Elsevier GmbH. All rights reserved.

Comparison of mitochondrial DNA control region sequence and microsatellite DNA analyses in estimating population structure and gene flow rates in Atlantic sturgeon Acipenser oxyrinchus

USGS Publications Warehouse

Wirgin, I.; Waldman, J.; Stabile, J.; Lubinski, B.; King, T.

2002-01-01

Atlantic sturgeon Acipenser oxyrinchus is large, long-lived, and anadromous with subspecies distributed along the Atlantic (A. oxyrinchus oxyrinchus) and Gulf of Mexico (A. o. desotoi) coasts of North America. Although it is not certain if extirpation of some population units has occurred, because of anthropogenic influences abundances of all populations are low compared with historical levels. Informed management of A. oxyrinchus demands a detailed knowledge of its population structure, levels of genetic diversity, and likelihood to home to natal rivers. We compared the use of mitochondrial DNA (mtDNA) control region sequence and microsatellite nuclear DNA (nDNA) analyses in identifying the stock structure and homing fidelity of Atlantic and Gulf coast populations of A. oxyrinchus. The approaches were concordant in that they revealed moderate to high levels of genetic diversity and suggested that populations of Atlantic sturgeon are highly structured. At least six genetically distinct management units were detected using the two approaches among the rivers surveyed. Mitochondrial DNA sequences revealed a significant cline in haplotype diversity along the Atlantic coast with monomorphism observed in Canadian populations. High levels of nDNA diversity were also observed among populations along the Atlantic coast, including the two Canadian populations, probably resulting from the more rapid rate of mutational and evolutionary change at microsatellite loci. Estimates of gene flow among populations were similar between both approaches with the exception that because of mtDNA monomorphism in Canadian populations, gene flow estimates between them were unobtainable. Analyses of both genomes provided high resolution and confidence in characterizing the population structure of Atlantic sturgeon. Microsatellite analysis was particularly informative in delineating population structure in rivers that were recently glaciated and may prove diagnostic in rivers that are geographically proximal along the south Atlantic coast of the US.

Structural Analysis and Test Comparison of a 20-Meter Inflation-Deployed Solar Sail

NASA Technical Reports Server (NTRS)

Sleight, David W.; Mann, Troy; Lichodziejewski, David; Derbes, Billy

2006-01-01

Under the direction of the NASA In-Space Propulsion Technology Office, the team of L Garde, NASA Jet Propulsion Laboratory, Ball Aerospace, and NASA Langley Research Center has been developing a scalable solar sail configuration to address NASA s future space propulsion needs. Prior to a flight experiment of a full-scale solar sail, a comprehensive test program was implemented to advance the technology readiness level of the solar sail design. These tests consisted of solar sail component, subsystem, and sub-scale system ground tests that simulated the aspects of the space environment such as vacuum and thermal conditions. In July 2005, a 20-m four-quadrant solar sail system test article was tested in the NASA Glenn Research Center s Space Power Facility to measure its static and dynamic structural responses. Key to the maturation of solar sail technology is the development of validated finite element analysis (FEA) models that can be used for design and analysis of solar sails. A major objective of the program was to utilize the test data to validate the FEA models simulating the solar sail ground tests. The FEA software, ABAQUS, was used to perform the structural analyses to simulate the ground tests performed on the 20-m solar sail test article. This paper presents the details of the FEA modeling, the structural analyses simulating the ground tests, and a comparison of the pretest and post-test analysis predictions with the ground test results for the 20-m solar sail system test article. The structural responses that are compared in the paper include load-deflection curves and natural frequencies for the beam structural assembly and static shape, natural frequencies, and mode shapes for the solar sail membrane. The analysis predictions were in reasonable agreement with the test data. Factors that precluded better correlation of the analyses and the tests were unmeasured initial conditions in the test set-up.

Integration of Point Clouds and Images Acquired from a Low-Cost NIR Camera Sensor for Cultural Heritage Purposes

NASA Astrophysics Data System (ADS)

Kedzierski, M.; Walczykowski, P.; Wojtkowska, M.; Fryskowska, A.

2017-08-01

Terrestrial Laser Scanning is currently one of the most common techniques for modelling and documenting structures of cultural heritage. However, only geometric information on its own, without the addition of imagery data is insufficient when formulating a precise statement about the status of studies structure, for feature extraction or indicating the sites to be restored. Therefore, the Authors propose the integration of spatial data from terrestrial laser scanning with imaging data from low-cost cameras. The use of images from low-cost cameras makes it possible to limit the costs needed to complete such a study, and thus, increasing the possibility of intensifying the frequency of photographing and monitoring of the given structure. As a result, the analysed cultural heritage structures can be monitored more closely and in more detail, meaning that the technical documentation concerning this structure is also more precise. To supplement the laser scanning information, the Authors propose using both images taken both in the near-infrared range and in the visible range. This choice is motivated by the fact that not all important features of historical structures are always visible RGB, but they can be identified in NIR imagery, which, with the additional merging with a three-dimensional point cloud, gives full spatial information about the cultural heritage structure in question. The Authors proposed an algorithm that automates the process of integrating NIR images with a point cloud using parameters, which had been calculated during the transformation of RGB images. A number of conditions affecting the accuracy of the texturing had been studies, in particular, the impact of the geometry of the distribution of adjustment points and their amount on the accuracy of the integration process, the correlation between the intensity value and the error on specific points using images in different ranges of the electromagnetic spectrum and the selection of the optimal method of transforming the acquired imagery. As a result of the research, an innovative solution was achieved, giving high accuracy results and taking into account a number of factors important in the creation of the documentation of historical structures. In addition, thanks to the designed algorithm, the final result can be obtained in a very short time at a high level of automation, in relation to similar types of studies, meaning that it would be possible to obtain a significant data set for further analyses and more detailed monitoring of the state of the historical structures.

New Tools Being Developed for Engine- Airframe Blade-Out Structural Simulations

NASA Technical Reports Server (NTRS)

Lawrence, Charles

2003-01-01

One of the primary concerns of aircraft structure designers is the accurate simulation of the blade-out event. This is required for the aircraft to pass Federal Aviation Administration (FAA) certification and to ensure that the aircraft is safe for operation. Typically, the most severe blade-out occurs when a first-stage fan blade in a high-bypass gas turbine engine is released. Structural loading results from both the impact of the blade onto the containment ring and the subsequent instantaneous unbalance of the rotating components. Reliable simulations of blade-out are required to ensure structural integrity during flight as well as to guarantee successful blade-out certification testing. The loads generated by these analyses are critical to the design teams for several components of the airplane structures including the engine, nacelle, strut, and wing, as well as the aircraft fuselage. Currently, a collection of simulation tools is used for aircraft structural design. Detailed high-fidelity simulation tools are used to capture the structural loads resulting from blade loss, and then these loads are used as input into an overall system model that includes complete structural models of both the engines and the airframe. The detailed simulation (shown in the figure) includes the time-dependent trajectory of the lost blade and its interactions with the containment structure, and the system simulation includes the lost blade loadings and the interactions between the rotating turbomachinery and the remaining aircraft structural components. General-purpose finite element structural analysis codes are typically used, and special provisions are made to include transient effects from the blade loss and rotational effects resulting from the engine s turbomachinery. To develop and validate these new tools with test data, the NASA Glenn Research Center has teamed with GE Aircraft Engines, Pratt & Whitney, Boeing Commercial Aircraft, Rolls-Royce, and MSC.Software.

Predicting the seismic performance of typical R/C healthcare facilities: emphasis on hospitals

NASA Astrophysics Data System (ADS)

Bilgin, Huseyin; Frangu, Idlir

2017-09-01

Reinforced concrete (RC) type of buildings constitutes an important part of the current building stock in earthquake prone countries such as Albania. Seismic response of structures during a severe earthquake plays a vital role in the extent of structural damage and resulting injuries and losses. In this context, this study evaluates the expected performance of a five-story RC healthcare facility, representative of common practice in Albania, designed according to older codes. The design was based on the code requirements used in this region during the mid-1980s. Non-linear static and dynamic time history analyses were conducted on the structural model using the Zeus NL computer program. The dynamic time history analysis was conducted with a set of ground motions from real earthquakes. The building responses were estimated in global levels. FEMA 356 criteria were used to predict the seismic performance of the building. The structural response measures such as capacity curve and inter-story drift under the set of ground motions and pushover analyses results were compared and detailed seismic performance assessment was done. The main aim of this study is considering the application and methodology for the earthquake performance assessment of existing buildings. The seismic performance of the structural model varied significantly under different ground motions. Results indicate that case study building exhibit inadequate seismic performance under different seismic excitations. In addition, reasons for the poor performance of the building is discussed.

A Conceptual Aerospace Vehicle Structural System Modeling, Analysis and Design Process

NASA Technical Reports Server (NTRS)

Mukhopadhyay, Vivek

2007-01-01

A process for aerospace structural concept analysis and design is presented, with examples of a blended-wing-body fuselage, a multi-bubble fuselage concept, a notional crew exploration vehicle, and a high altitude long endurance aircraft. Aerospace vehicle structures must withstand all anticipated mission loads, yet must be designed to have optimal structural weight with the required safety margins. For a viable systems study of advanced concepts, these conflicting requirements must be imposed and analyzed early in the conceptual design cycle, preferably with a high degree of fidelity. In this design process, integrated multidisciplinary analysis tools are used in a collaborative engineering environment. First, parametric solid and surface models including the internal structural layout are developed for detailed finite element analyses. Multiple design scenarios are generated for analyzing several structural configurations and material alternatives. The structural stress, deflection, strain, and margins of safety distributions are visualized and the design is improved. Over several design cycles, the refined vehicle parts and assembly models are generated. The accumulated design data is used for the structural mass comparison and concept ranking. The present application focus on the blended-wing-body vehicle structure and advanced composite material are also discussed.

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

PubMed Central

Judson, Richard S.; Martin, Matthew T.; Egeghy, Peter; Gangwal, Sumit; Reif, David M.; Kothiya, Parth; Wolf, Maritja; Cathey, Tommy; Transue, Thomas; Smith, Doris; Vail, James; Frame, Alicia; Mosher, Shad; Cohen Hubal, Elaine A.; Richard, Ann M.

2012-01-01

Computational toxicology combines data from high-throughput test methods, chemical structure analyses and other biological domains (e.g., genes, proteins, cells, tissues) with the goals of predicting and understanding the underlying mechanistic causes of chemical toxicity and for predicting toxicity of new chemicals and products. A key feature of such approaches is their reliance on knowledge extracted from large collections of data and data sets in computable formats. The U.S. Environmental Protection Agency (EPA) has developed a large data resource called ACToR (Aggregated Computational Toxicology Resource) to support these data-intensive efforts. ACToR comprises four main repositories: core ACToR (chemical identifiers and structures, and summary data on hazard, exposure, use, and other domains), ToxRefDB (Toxicity Reference Database, a compilation of detailed in vivo toxicity data from guideline studies), ExpoCastDB (detailed human exposure data from observational studies of selected chemicals), and ToxCastDB (data from high-throughput screening programs, including links to underlying biological information related to genes and pathways). The EPA DSSTox (Distributed Structure-Searchable Toxicity) program provides expert-reviewed chemical structures and associated information for these and other high-interest public inventories. Overall, the ACToR system contains information on about 400,000 chemicals from 1100 different sources. The entire system is built using open source tools and is freely available to download. This review describes the organization of the data repository and provides selected examples of use cases. PMID:22408426

Aggregating data for computational toxicology applications: The U.S. Environmental Protection Agency (EPA) Aggregated Computational Toxicology Resource (ACToR) System.

PubMed

Judson, Richard S; Martin, Matthew T; Egeghy, Peter; Gangwal, Sumit; Reif, David M; Kothiya, Parth; Wolf, Maritja; Cathey, Tommy; Transue, Thomas; Smith, Doris; Vail, James; Frame, Alicia; Mosher, Shad; Cohen Hubal, Elaine A; Richard, Ann M

2012-01-01

Computational toxicology combines data from high-throughput test methods, chemical structure analyses and other biological domains (e.g., genes, proteins, cells, tissues) with the goals of predicting and understanding the underlying mechanistic causes of chemical toxicity and for predicting toxicity of new chemicals and products. A key feature of such approaches is their reliance on knowledge extracted from large collections of data and data sets in computable formats. The U.S. Environmental Protection Agency (EPA) has developed a large data resource called ACToR (Aggregated Computational Toxicology Resource) to support these data-intensive efforts. ACToR comprises four main repositories: core ACToR (chemical identifiers and structures, and summary data on hazard, exposure, use, and other domains), ToxRefDB (Toxicity Reference Database, a compilation of detailed in vivo toxicity data from guideline studies), ExpoCastDB (detailed human exposure data from observational studies of selected chemicals), and ToxCastDB (data from high-throughput screening programs, including links to underlying biological information related to genes and pathways). The EPA DSSTox (Distributed Structure-Searchable Toxicity) program provides expert-reviewed chemical structures and associated information for these and other high-interest public inventories. Overall, the ACToR system contains information on about 400,000 chemicals from 1100 different sources. The entire system is built using open source tools and is freely available to download. This review describes the organization of the data repository and provides selected examples of use cases.

Conceptual Design and Structural Optimization of NASA Environmentally Responsible Aviation (ERA) Hybrid Wing Body Aircraft

NASA Technical Reports Server (NTRS)

Quinlan, Jesse R.; Gern, Frank H.

2016-01-01

Simultaneously achieving the fuel consumption and noise reduction goals set forth by NASA's Environmentally Responsible Aviation (ERA) project requires innovative and unconventional aircraft concepts. In response, advanced hybrid wing body (HWB) aircraft concepts have been proposed and analyzed as a means of meeting these objectives. For the current study, several HWB concepts were analyzed using the Hybrid wing body Conceptual Design and structural optimization (HCDstruct) analysis code. HCDstruct is a medium-fidelity finite element based conceptual design and structural optimization tool developed to fill the critical analysis gap existing between lower order structural sizing approaches and detailed, often finite element based sizing methods for HWB aircraft concepts. Whereas prior versions of the tool used a half-model approach in building the representative finite element model, a full wing-tip-to-wing-tip modeling capability was recently added to HCDstruct, which alleviated the symmetry constraints at the model centerline in place of a free-flying model and allowed for more realistic center body, aft body, and wing loading and trim response. The latest version of HCDstruct was applied to two ERA reference cases, including the Boeing Open Rotor Engine Integration On an HWB (OREIO) concept and the Boeing ERA-0009H1 concept, and results agreed favorably with detailed Boeing design data and related Flight Optimization System (FLOPS) analyses. Following these benchmark cases, HCDstruct was used to size NASA's ERA HWB concepts and to perform a related scaling study.

DNA viewed as an out-of-equilibrium structure

NASA Astrophysics Data System (ADS)

Provata, A.; Nicolis, C.; Nicolis, G.

2014-05-01

The complexity of the primary structure of human DNA is explored using methods from nonequilibrium statistical mechanics, dynamical systems theory, and information theory. A collection of statistical analyses is performed on the DNA data and the results are compared with sequences derived from different stochastic processes. The use of χ2 tests shows that DNA can not be described as a low order Markov chain of order up to r =6. Although detailed balance seems to hold at the level of a binary alphabet, it fails when all four base pairs are considered, suggesting spatial asymmetry and irreversibility. Furthermore, the block entropy does not increase linearly with the block size, reflecting the long-range nature of the correlations in the human genomic sequences. To probe locally the spatial structure of the chain, we study the exit distances from a specific symbol, the distribution of recurrence distances, and the Hurst exponent, all of which show power law tails and long-range characteristics. These results suggest that human DNA can be viewed as a nonequilibrium structure maintained in its state through interactions with a constantly changing environment. Based solely on the exit distance distribution accounting for the nonequilibrium statistics and using the Monte Carlo rejection sampling method, we construct a model DNA sequence. This method allows us to keep both long- and short-range statistical characteristics of the native DNA data. The model sequence presents the same characteristic exponents as the natural DNA but fails to capture spatial correlations and point-to-point details.

Structure and receptor binding preferences of recombinant hemagglutinins from avian and human H6 and H10 influenza A virus subtypes.

PubMed

Yang, Hua; Carney, Paul J; Chang, Jessie C; Villanueva, Julie M; Stevens, James

2015-04-01

During 2013, three new avian influenza A virus subtypes, A(H7N9), A(H6N1), and A(H10N8), resulted in human infections. While the A(H7N9) virus resulted in a significant epidemic in China across 19 provinces and municipalities, both A(H6N1) and A(H10N8) viruses resulted in only a few human infections. This study focuses on the major surface glycoprotein hemagglutinins from both of these novel human viruses. The detailed structural and glycan microarray analyses presented here highlight the idea that both A(H6N1) and A(H10N8) virus hemagglutinins retain a strong avian receptor binding preference and thus currently pose a low risk for sustained human infections. Human infections with zoonotic influenza virus subtypes continue to be a great public health concern. We report detailed structural analysis and glycan microarray data for recombinant hemagglutinins from A(H6N1) and A(H10N8) viruses, isolated from human infections in 2013, and compare them with hemagglutinins of avian origin. This is the first structural report of an H6 hemagglutinin, and our results should further the understanding of these viruses and provide useful information to aid in the continuous surveillance of these zoonotic influenza viruses. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

Second harmonic generation imaging - a new method for unraveling molecular information of starch.

PubMed

Zhuo, Zong-Yan; Liao, Chien-Sheng; Huang, Chen-Han; Yu, Jiun-Yann; Tzeng, Yu-Yi; Lo, Wen; Dong, Chen-Yuan; Chui, Hsiang-Chen; Huang, Yu-Chan; Lai, Hsi-Mei; Chu, Shi-Wei

2010-07-01

We present a new method, second harmonic generation (SHG) imaging for the study of starch structure. SHG imaging can provide the structural organization and molecular orientation information of bio-tissues without centrosymmetry. In recent years, SHG has proven its capability in the study of crystallized bio-molecules such as collagen and myosin. Starch, the most important food source and a promising future energy candidate, has, for a decade, been shown to exhibit strong SHG response. By comparing SHG intensity from different starch species, we first identified that the SHG-active molecule is amylopectin, which accounts for the crystallinity in starch granules. With the aid of SHG polarization anisotropy, we extracted the complete χ((2)) tensor of amylopectin, which reflects the underlying molecular details. Through χ((2)) tensor analysis, three-dimensional orientation and packing symmetry of amylopectin are determined. The helical angle of the double-helix in amylopectin is also deduced from the tensor, and the value corresponds well to previous X-ray studies, further verifying amylopectin as SHG source. It is noteworthy that the nm-sized structure of amylopectin inside a starch granule can be determined by this far-field optical method with 1-μm excitation wavelength. Since SHG is a relatively new tool for plant research, a detailed understanding of SHG in starch structure will be useful for future high-resolution imaging and quantitative analyses for food/energy applications. Copyright © 2010 Elsevier Inc. All rights reserved.

DNA viewed as an out-of-equilibrium structure.

PubMed

Provata, A; Nicolis, C; Nicolis, G

2014-05-01

The complexity of the primary structure of human DNA is explored using methods from nonequilibrium statistical mechanics, dynamical systems theory, and information theory. A collection of statistical analyses is performed on the DNA data and the results are compared with sequences derived from different stochastic processes. The use of χ^{2} tests shows that DNA can not be described as a low order Markov chain of order up to r=6. Although detailed balance seems to hold at the level of a binary alphabet, it fails when all four base pairs are considered, suggesting spatial asymmetry and irreversibility. Furthermore, the block entropy does not increase linearly with the block size, reflecting the long-range nature of the correlations in the human genomic sequences. To probe locally the spatial structure of the chain, we study the exit distances from a specific symbol, the distribution of recurrence distances, and the Hurst exponent, all of which show power law tails and long-range characteristics. These results suggest that human DNA can be viewed as a nonequilibrium structure maintained in its state through interactions with a constantly changing environment. Based solely on the exit distance distribution accounting for the nonequilibrium statistics and using the Monte Carlo rejection sampling method, we construct a model DNA sequence. This method allows us to keep both long- and short-range statistical characteristics of the native DNA data. The model sequence presents the same characteristic exponents as the natural DNA but fails to capture spatial correlations and point-to-point details.

Structural variations in prefrontal cortex mediate the relationship between early childhood stress and spatial working memory

PubMed Central

Hanson, Jamie L.; Chung, Moo K.; Avants, Brian B.; Rudolph, Karen D.; Shirtcliff, Elizabeth A.; Gee, James C.; Davidson, Richard J.; Pollak, Seth D.

2012-01-01

A large corpus of research indicates exposure to stress impairs cognitive abilities, specifically executive functioning dependent on the prefrontal cortex (PFC). We collected structural MRI scans (n=61), well-validated assessments of executive functioning, and detailed interviews assessing stress exposure in humans, to examine whether cumulative life stress affected brain morphometry and one type of executive functioning, spatial working memory, during adolescence—a critical time of brain development and reorganization. Analysis of variations in brain structure revealed that cumulative life stress and spatial working memory were related to smaller volumes in the PFC, specifically prefrontal gray and white matter between the anterior cingulate and the frontal poles. Mediation analyses revealed that individual differences in prefrontal volumes accounted for the association between cumulative life stress and spatial working memory. These results suggest that structural changes in the PFC may serve as a mediating mechanism through which greater cumulative life stress engenders decrements in cognitive functioning. PMID:22674267

Tunable thermal rectification in graphene/hexagonal boron nitride hybrid structures

NASA Astrophysics Data System (ADS)

Chen, Xue-Kun; Hu, Ji-Wen; Wu, Xi-Jun; Jia, Peng; Peng, Zhi-Hua; Chen, Ke-Qiu

2018-02-01

Using non-equilibrium molecular dynamics simulations, we investigate thermal rectification (TR) in graphene/hexagonal boron nitride (h-BN) hybrid structures. Two different structural models, partially substituting graphene into h-BN (CBN) and partially substituting h-BN into graphene (BNC), are considered. It is found that CBN has a significant TR effect while that of BNC is very weak. The observed TR phenomenon can be attributed to the resonance effect between out-of-plane phonons of graphene and h-BN domains in the low-frequency region under negative temperature bias. In addition, the influences of ambient temperature, system size, defect number and substrate interaction are also studied to obtain the optimum conditions for TR. More importantly, the TR ratio could be effectively tuned through chemical and structural diversity. A moderate C/BN ratio and parallel arrangement are found to enhance the TR ratio. Detailed phonon spectra analyses are conducted to understand the thermal transport behavior. This work extends hybrid engineering to 2D materials for achieving TR.

Dynamic and Fatigue Analysis of an 18th Century Steel Arch Bridge

NASA Astrophysics Data System (ADS)

Boumechra, Nadir; Hamdaoui, Karim

2008-07-01

Within the "Oran-Tlemcen" railway line realization project (159 km), several bridges were built by the Railroads Algerian West Company. 7 km from the east of Tlemcen city, this railway line must cross a very broken mountainous collar, that's why the French engineer "Gustave Eiffel" was solicited to construct a 68 m length bridge. In 1890, an arch steel truss bridge was realized. The bridge presents 300 m of apron curvature radius and, currently, is considered as one of the most important monuments of the Algerian historical heritage. Considering the age of the bridge and the evolution of the railway loads in time, it was essential to check the good behavior of the studied structure. For that, analyses to verify the physical and mechanical properties of the growth iron members are made. A finite element model of the bridge was built and numerical simulations were drawn. The structural vibration conducted analysis permit to understand the behavior of this particular structure, then to evaluate (in detail) the rate of the structure fatigue.

Manipulation of prenylation reactions by structure-based engineering of bacterial indolactam prenyltransferases

NASA Astrophysics Data System (ADS)

Mori, Takahiro; Zhang, Lihan; Awakawa, Takayoshi; Hoshino, Shotaro; Okada, Masahiro; Morita, Hiroyuki; Abe, Ikuro

2016-03-01

Prenylation reactions play crucial roles in controlling the activities of biomolecules. Bacterial prenyltransferases, TleC from Streptomyces blastmyceticus and MpnD from Marinactinospora thermotolerans, catalyse the `reverse' prenylation of (-)-indolactam V at the C-7 position of the indole ring with geranyl pyrophosphate or dimethylallyl pyrophosphate, to produce lyngbyatoxin or pendolmycin, respectively. Using in vitro analyses, here we show that both TleC and MpnD exhibit relaxed substrate specificities and accept various chain lengths (C5-C25) of the prenyl donors. Comparisons of the crystal structures and their ternary complexes with (-)-indolactam V and dimethylallyl S-thiophosphate revealed the intimate structural details of the enzyme-catalysed `reverse' prenylation reactions and identified the active-site residues governing the selection of the substrates. Furthermore, structure-based enzyme engineering successfully altered the preference for the prenyl chain length of the substrates, as well as the regio- and stereo-selectivities of the prenylation reactions, to produce a series of unnatural novel indolactams.

Structural Equation Modeling: Applications in ecological and evolutionary biology research

USGS Publications Warehouse

Pugesek, Bruce H.; von Eye, Alexander; Tomer, Adrian

2003-01-01

This book presents an introduction to the methodology of structural equation modeling, illustrates its use, and goes on to argue that it has revolutionary implications for the study of natural systems. A major theme of this book is that we have, up to this point, attempted to study systems primarily using methods (such as the univariate model) that were designed only for considering individual processes. Understanding systems requires the capacity to examine simultaneous influences and responses. Structural equation modeling (SEM) has such capabilities. It also possesses many other traits that add strength to its utility as a means of making scientific progress. In light of the capabilities of SEM, it can be argued that much of ecological theory is currently locked in an immature state that impairs its relevance. It is further argued that the principles of SEM are capable of leading to the development and evaluation of multivariate theories of the sort vitally needed for the conservation of natural systems. Supplementary information can be found at the authors website, http://www.jamesbgrace.com/. • Details why multivariate analyses should be used to study ecological systems • Exposes unappreciated weakness in many current popular analyses • Emphasizes the future methodological developments needed to advance our understanding of ecological systems.

Reevaluating the age of the Walden Creek Group and the kinematic evolution of the western Blue Ridge, southern Appalachians

USGS Publications Warehouse

Thigpen, J. Ryan; Hatcher, Robert D.; Kah, Linda C.; Repetski, John E.

2016-01-01

An integrated synthesis of existing datasets (detailed geologic mapping, geochronologic, paleontologic, geophysical) with new paleontologic and geochemical investigations of rocks previously interpreted as part of the Neoproterozoic Walden Creek Group in southeastern Tennessee suggest a necessary reevaluation of the kinematics and structural architecture of the Blue Ridge Foothills. The western Blue Ridge of Tennessee, North Carolina, and Georgia is composed of numerous northwest-directed early and late Paleozoic thrust sheets, which record pronounced variation in stratigraphic/structural architecture and timing of metamorphism. The detailed spatial, temporal, and kinematic relationships of these rocks have remained controversial. Two fault blocks that are structurally isolated between the Great Smoky and Miller Cove-Greenbrier thrust sheets, here designated the Maggies Mill and Citico thrust sheets, contain Late Ordovician-Devonian conodonts and stable isotope chemostratigraphic signatures consistent with a mid-Paleozoic age. Geochemical and paleontological analyses of Walden Creek Group rocks northwest and southeast of these two thrust sheets, however, are more consistent with a Late Neoproterozoic (550–545 Ma) depositional age. Consequently, the structural juxtaposition of mid-Paleozoic rocks within a demonstrably Neoproterozoic-Cambrian succession between the Great Smoky and Miller Cove-Greenbrier thrust sheets suggests that a simple foreland-propagating thrust sequence model is not applicable in the Blue Ridge Foothills. We propose that these younger rocks were deposited landward of the Ocoee Supergroup, and were subsequently plucked from the Great Smoky fault footwall as a horse, and breached through the Great Smoky thrust sheet during Alleghanian emplacement of that structure.

Detailed Chemical Composition of Condensed Tannins via Quantitative (31)P NMR and HSQC Analyses: Acacia catechu, Schinopsis balansae, and Acacia mearnsii.

PubMed

Crestini, Claudia; Lange, Heiko; Bianchetti, Giulia

2016-09-23

The chemical composition of Acacia catechu, Schinopsis balansae, and Acacia mearnsii proanthocyanidins has been determined using a novel analytical approach that rests on the concerted use of quantitative (31)P NMR and two-dimensional heteronuclear NMR spectroscopy. This approach has offered significant detailed information regarding the structure and purity of these complex and often elusive proanthocyanidins. More specifically, rings A, B, and C of their flavan-3-ol units show well-defined and resolved absorbance regions in both the quantitative (31)P NMR and HSQC spectra. By integrating each of these regions in the (31)P NMR spectra, it is possible to identify the oxygenation patterns of the flavan-3-ol units. At the same time it is possible to acquire a fingerprint of the proanthocyanidin sample and evaluate its purity via the HSQC information. This analytical approach is suitable for both the purified natural product proanthocyanidins and their commercial analogues. Overall, this effort demonstrates the power of the concerted use of these two NMR techniques for the structural elucidation of natural products containing labile hydroxy protons and a carbon framework that can be traced out via HSQC.

Anti-Helicobacter pylori metabolites from Rhizoctonia sp. Cy064, an endophytic fungus in Cynodon dactylon.

PubMed

Ma, Y M; Li, Y; Liu, J Y; Song, Y C; Tan, R X

2004-07-01

A new benzophenone, named rhizoctonic acid (1), together with three known compounds monomethylsulochrin (2), ergosterol (3) and 3beta,5alpha,6beta-trihydroxyergosta-7,22-diene (4) were isolated through bioassay-guided fractionations from the culture of Rhizoctonia sp. (Cy064), an endophytic fungus in the leaf of Cynodon dactylon. The structure of the new acid 1 was elucidated to be 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoic acid by a combination of spectral analyses. Furthermore, the structure of monomethylsulochrin 2 was confirmed by 13C-NMR analysis. All four metabolites were subjected to a more detailed in vitro assessment of their antibacterial action against five clinically isolated and one reference (ATCC 43504) Helicobacter pylori strains.

An Update on Binary Formation by Rotational Fission

NASA Astrophysics Data System (ADS)

Tohline, Joel E.; Durisen, Richard H.

During the 1980s, numerical simulations showed that dynamic growth of a barlike mode in initially axisymmetric, equilibrium protostars does not lead to prompt binary formation, i. e., fission. Instead, such evolutions usually produce a dynamically stable, spinning barlike configuration. In recent years, this result has been confirmed by numerous groups using a variety of different hydrodynamical tools, and stability analyses have convincingly shown that fission does not occur in such systems because gravitational torques cause nonlinear saturation of the mode amplitude. Other possible routes to fission have been much less well scrutinized because they rely upon a detailed understanding of the structure and stability of initially nonaxisymmetric structures and/or evolutions that are driven by secular, rather than dynamic processes. Efforts are underway to examine these other fission scenarios.

Pre-Test Analysis Predictions for the Shell Buckling Knockdown Factor Checkout Tests - TA01 and TA02

NASA Technical Reports Server (NTRS)

Thornburgh, Robert P.; Hilburger, Mark W.

2011-01-01

This report summarizes the pre-test analysis predictions for the SBKF-P2-CYL-TA01 and SBKF-P2-CYL-TA02 shell buckling tests conducted at the Marshall Space Flight Center (MSFC) in support of the Shell Buckling Knockdown Factor (SBKF) Project, NASA Engineering and Safety Center (NESC) Assessment. The test article (TA) is an 8-foot-diameter aluminum-lithium (Al-Li) orthogrid cylindrical shell with similar design features as that of the proposed Ares-I and Ares-V barrel structures. In support of the testing effort, detailed structural analyses were conducted and the results were used to monitor the behavior of the TA during the testing. A summary of predicted results for each of the five load sequences is presented herein.

DFT calculations of the structures and vibrational spectra of the [Fe(bpy) 3] 2+ and [Ru(bpy) 3] 2+ complexes

NASA Astrophysics Data System (ADS)

Alexander, Bruce D.; Dines, Trevor J.; Longhurst, Rayne W.

2008-09-01

Structures of the [M(bpy) 3] 2+ complexes (M = Fe and Ru) have been calculated at the B3-LYP/DZVP level. IR and Raman spectra were calculated using the optimised geometries, employing a scaled quantum chemical force field, and compared with an earlier normal coordinate analysis of [Ru(bpy) 3] 2+ which was based upon experimental data alone, and the use of a simplified model. The results of the calculations provide a highly satisfactory fit to the experimental data and the normal coordinate analyses, in terms of potential energy distributions, allow a detailed understanding of the vibrational spectra of both complexes. Evidence is presented for Jahn-Teller distortion in the 1E MLCT excited state.

Ab-initio calculations of the Ruddlesden Popper phases CaMnO3, CaO(CaMnO3) and CaO(CaMnO3)2

NASA Astrophysics Data System (ADS)

Cardoso, C.; Borges, R. P.; Gasche, T.; Godinho, M.

2008-01-01

The present work reports ab-initio density functional theory calculations for the Ruddlesden-Popper phase CaO(CaMnO3)n compounds. In order to study the evolution of the properties with the number of perovskite layers, a detailed analysis of the densities of states calculated for each compound and for several magnetic configurations was performed. The effect of distortions of the crystal structure on the magnetic ground state is also analysed and the exchange constants and transition temperatures are calculated for the three compounds using a mean field model. The calculated magnetic ground state structures and magnetic moments are in good agreement with experimental results and previous calculations.

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

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

Westre, Tami E.

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

Regional growth and atlasing of the developing human brain

PubMed Central

Makropoulos, Antonios; Aljabar, Paul; Wright, Robert; Hüning, Britta; Merchant, Nazakat; Arichi, Tomoki; Tusor, Nora; Hajnal, Joseph V.; Edwards, A. David; Counsell, Serena J.; Rueckert, Daniel

2016-01-01

Detailed morphometric analysis of the neonatal brain is required to characterise brain development and define neuroimaging biomarkers related to impaired brain growth. Accurate automatic segmentation of neonatal brain MRI is a prerequisite to analyse large datasets. We have previously presented an accurate and robust automatic segmentation technique for parcellating the neonatal brain into multiple cortical and subcortical regions. In this study, we further extend our segmentation method to detect cortical sulci and provide a detailed delineation of the cortical ribbon. These detailed segmentations are used to build a 4-dimensional spatio-temporal structural atlas of the brain for 82 cortical and subcortical structures throughout this developmental period. We employ the algorithm to segment an extensive database of 420 MR images of the developing brain, from 27 to 45 weeks post-menstrual age at imaging. Regional volumetric and cortical surface measurements are derived and used to investigate brain growth and development during this critical period and to assess the impact of immaturity at birth. Whole brain volume, the absolute volume of all structures studied, cortical curvature and cortical surface area increased with increasing age at scan. Relative volumes of cortical grey matter, cerebellum and cerebrospinal fluid increased with age at scan, while relative volumes of white matter, ventricles, brainstem and basal ganglia and thalami decreased. Preterm infants at term had smaller whole brain volumes, reduced regional white matter and cortical and subcortical grey matter volumes, and reduced cortical surface area compared with term born controls, while ventricular volume was greater in the preterm group. Increasing prematurity at birth was associated with a reduction in total and regional white matter, cortical and subcortical grey matter volume, an increase in ventricular volume, and reduced cortical surface area. PMID:26499811

Regional growth and atlasing of the developing human brain.

PubMed

Makropoulos, Antonios; Aljabar, Paul; Wright, Robert; Hüning, Britta; Merchant, Nazakat; Arichi, Tomoki; Tusor, Nora; Hajnal, Joseph V; Edwards, A David; Counsell, Serena J; Rueckert, Daniel

2016-01-15

Detailed morphometric analysis of the neonatal brain is required to characterise brain development and define neuroimaging biomarkers related to impaired brain growth. Accurate automatic segmentation of neonatal brain MRI is a prerequisite to analyse large datasets. We have previously presented an accurate and robust automatic segmentation technique for parcellating the neonatal brain into multiple cortical and subcortical regions. In this study, we further extend our segmentation method to detect cortical sulci and provide a detailed delineation of the cortical ribbon. These detailed segmentations are used to build a 4-dimensional spatio-temporal structural atlas of the brain for 82 cortical and subcortical structures throughout this developmental period. We employ the algorithm to segment an extensive database of 420 MR images of the developing brain, from 27 to 45weeks post-menstrual age at imaging. Regional volumetric and cortical surface measurements are derived and used to investigate brain growth and development during this critical period and to assess the impact of immaturity at birth. Whole brain volume, the absolute volume of all structures studied, cortical curvature and cortical surface area increased with increasing age at scan. Relative volumes of cortical grey matter, cerebellum and cerebrospinal fluid increased with age at scan, while relative volumes of white matter, ventricles, brainstem and basal ganglia and thalami decreased. Preterm infants at term had smaller whole brain volumes, reduced regional white matter and cortical and subcortical grey matter volumes, and reduced cortical surface area compared with term born controls, while ventricular volume was greater in the preterm group. Increasing prematurity at birth was associated with a reduction in total and regional white matter, cortical and subcortical grey matter volume, an increase in ventricular volume, and reduced cortical surface area. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Space-based Scintillation Nowcasting with the Communications/Navigation Outage Forecast System

NASA Astrophysics Data System (ADS)

Groves, K.; Starks, M.; Beach, T.; Basu, S.

2008-12-01

The Air Force Research Laboratory's Communication/Navigation Outage Forecast System (C/NOFS) fuses ground- and space-based data in a near real-time physics-based model aimed at forecasting and nowcasting equatorial scintillations and their impacts on satellite communications and navigation. A key component of the system is the C/NOFS satellite that was launched into a low-inclination (13°) elliptical orbit (400 km x 850 km) in April 2008. The satellite contains six sensors to measure space environment parameters including electron density and temperature, ion density and drift, electric and magnetic fields and neutral wind, as well as a tri-band radio beacon transmitting at 150 MHz, 400 MHz and 1067 MHz. Scintillation nowcasts are derived from measuring the one-dimensional in situ electron density fluctuations and subsequently modeling the propagation environment for satellite-to-ground radio links. The modeling process requires a number of simplifying assumptions regarding the three-dimensional structure of the ionosphere and the results are readily validated by comparisons with ground-based measurements of the satellite's tri-band beacon signals. In mid-September 2008 a campaign to perform detailed analyses of space-based scintillation nowcasts with numerous ground observations was conducted in the vicinity of Kwajalein Atoll, Marshall Islands. To maximize the collection of ground-truth data, the ALTAIR radar was employed to obtain detailed information on the spatial structure of the ionosphere during the campaign and to aid the improvement of space-based nowcasting algorithms. A comparison of these results will be presented; it appears that detailed information on the electron density structure is a limiting factor in modeling the scintillation environment from in situ observations.

Inner Ear Morphology in the Atlantic Molly Poecilia mexicana—First Detailed Microanatomical Study of the Inner Ear of a Cyprinodontiform Species

PubMed Central

Schulz-Mirbach, Tanja; Heß, Martin; Plath, Martin

2011-01-01

Background Fishes show an amazing diversity in hearing abilities, inner ear structures, and otolith morphology. Inner ear morphology, however, has not yet been investigated in detail in any member of the diverse order Cyprinodontiformes. We, therefore, studied the inner ear of the cyprinodontiform freshwater fish Poecilia mexicana by analyzing the position of otoliths in situ, investigating the 3D structure of sensory epithelia, and examining the orientation patterns of ciliary bundles of the sensory hair cells, while combining μ-CT analyses, scanning electron microscopy, and immunocytochemical methods. P. mexicana occurs in different ecotypes, enabling us to study the intra-specific variability (on a qualitative basis) of fish from regular surface streams, and the Cueva del Azufre, a sulfidic cave in southern Mexico. Results The inner ear of Poecilia mexicana displays a combination of several remarkable features. The utricle is connected rostrally instead of dorso-rostrally to the saccule, and the macula sacculi, therefore, is very close to the utricle. Moreover, the macula sacculi possesses dorsal and ventral bulges. The two studied ecotypes of P. mexicana showed variation mainly in the shape and curvature of the macula lagenae, in the curvature of the macula sacculi, and in the thickness of the otolithic membrane. Conclusions Our study for the first time provides detailed insights into the auditory periphery of a cyprinodontiform inner ear and thus serves a basis—especially with regard to the application of 3D techniques—for further research on structure-function relationships of inner ears within the species-rich order Cyprinodontiformes. We suggest that other poeciliid taxa, or even other non-poeciliid cyprinodontiforms, may display similar inner ear morphologies as described here. PMID:22110746

Inner ear morphology in the Atlantic molly Poecilia mexicana--first detailed microanatomical study of the inner ear of a cyprinodontiform species.

PubMed

Schulz-Mirbach, Tanja; Hess, Martin; Plath, Martin

2011-01-01

Fishes show an amazing diversity in hearing abilities, inner ear structures, and otolith morphology. Inner ear morphology, however, has not yet been investigated in detail in any member of the diverse order Cyprinodontiformes. We, therefore, studied the inner ear of the cyprinodontiform freshwater fish Poecilia mexicana by analyzing the position of otoliths in situ, investigating the 3D structure of sensory epithelia, and examining the orientation patterns of ciliary bundles of the sensory hair cells, while combining μ-CT analyses, scanning electron microscopy, and immunocytochemical methods. P. mexicana occurs in different ecotypes, enabling us to study the intra-specific variability (on a qualitative basis) of fish from regular surface streams, and the Cueva del Azufre, a sulfidic cave in southern Mexico. The inner ear of Poecilia mexicana displays a combination of several remarkable features. The utricle is connected rostrally instead of dorso-rostrally to the saccule, and the macula sacculi, therefore, is very close to the utricle. Moreover, the macula sacculi possesses dorsal and ventral bulges. The two studied ecotypes of P. mexicana showed variation mainly in the shape and curvature of the macula lagenae, in the curvature of the macula sacculi, and in the thickness of the otolithic membrane. Our study for the first time provides detailed insights into the auditory periphery of a cyprinodontiform inner ear and thus serves a basis--especially with regard to the application of 3D techniques--for further research on structure-function relationships of inner ears within the species-rich order Cyprinodontiformes. We suggest that other poeciliid taxa, or even other non-poeciliid cyprinodontiforms, may display similar inner ear morphologies as described here.

Evolution of the Chos Malal and Agrio fold and thrust belts, Andes of Neuquén: Insights from structural analysis and apatite fission track dating

NASA Astrophysics Data System (ADS)

Rojas Vera, E. A.; Mescua, J.; Folguera, A.; Becker, T. P.; Sagripanti, L.; Fennell, L.; Orts, D.; Ramos, V. A.

2015-12-01

The Chos Malal and Agrio fold and thrust belts are located in the western part of the Neuquén basin, an Andean retroarc basin of central-western Argentina. Both belts show evidence of tectonic inversion at the western part during Late Cretaceous times. The eastern part is dominated by late Miocene deformation which also partially reactivated the western structures. This work focuses on the study of the regional structure and the deformational event that shaped the relief of this part of the Andes. Based on new field work and structural data and previously published works a detailed map of the central part of the Neuquén basin is presented. Three regional structural cross sections were surveyed and balanced using the 2d Move™ software. In order to define a more accurate uplift history, new apatite fission track analyses were carried on selected structures. These data was used for new thermal history modeling of the inner part of the Agrio and Chos Malal fold and thrust belts. The results of the fission track analyses improve the knowledge of how these fold and thrust belts have grown trough time. Two main deformational events are defined in Late Cretaceous to Paleocene and Late Miocene times. Based on this regional structural analysis and the fission track data the precise location of the orogenic front for the Late Cretaceous-Paleocene times is reconstructed and it is proposed a structural evolution of this segment of the Andes. This new exhumation data show how the Late Cretaceous to Paleocene event was a continuous and uninterrupted deformational event.

Nanofilter platform based on functionalized carbon nanotubes for adsorption and elimination of Acrolein, a toxicant in cigarette smoke

NASA Astrophysics Data System (ADS)

Yoosefian, Mehdi; Pakpour, Atef; Etminan, Nazanin

2018-06-01

This paper discusses the use of carboxylated single-walled carbon nanotube as a general nanofilter platform for the removal of acrolein carcinogen from cigarette smoke. The analyses carried out in the detailed study of the electronic and structural effects of the adsorption of acrolein onto COOH loaded on single-walled carbon nanotube under the density functional theory framework. The results of Bader theory of atoms in molecules, natural bond orbital, molecular potential electron surface and density of state confirm the potential application of the suggested nanofilter platform.

On the continuum mechanics approach for the analysis of single walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Chaudhry, M. S.; Czekanski, A.

2016-04-01

Today carbon nanotubes have found various applications in structural, thermal and almost every field of engineering. Carbon nanotubes provide great strength, stiffness resilience properties. Evaluating the structural behavior of nanoscale materials is an important task. In order to understand the materialistic behavior of nanotubes, atomistic models provide a basis for continuum mechanics modelling. Although the properties of bulk materials are consistent with the size and depends mainly on the material but the properties when we are in Nano-range, continuously change with the size. Such models start from the modelling of interatomic interaction. Modelling and simulation has advantage of cost saving when compared with the experiments. So in this project our aim is to use a continuum mechanics model of carbon nanotubes from atomistic perspective and analyses some structural behaviors of nanotubes. It is generally recognized that mechanical properties of nanotubes are dependent upon their structural details. The properties of nanotubes vary with the varying with the interatomic distance, angular orientation, radius of the tube and many such parameters. Based on such models one can analyses the variation of young's modulus, strength, deformation behavior, vibration behavior and thermal behavior. In this study some of the structural behaviors of the nanotubes are analyzed with the help of continuum mechanics models. Using the properties derived from the molecular mechanics model a Finite Element Analysis of carbon nanotubes is performed and results are verified. This study provides the insight on continuum mechanics modelling of nanotubes and hence the scope to study the effect of various parameters on some structural behavior of nanotubes.

Bioinformatic Workflows for Generating Complete Plastid Genome Sequences-An Example from Cabomba (Cabombaceae) in the Context of the Phylogenomic Analysis of the Water-Lily Clade.

PubMed

Gruenstaeudl, Michael; Gerschler, Nico; Borsch, Thomas

2018-06-21

The sequencing and comparison of plastid genomes are becoming a standard method in plant genomics, and many researchers are using this approach to infer plant phylogenetic relationships. Due to the widespread availability of next-generation sequencing, plastid genome sequences are being generated at breakneck pace. This trend towards massive sequencing of plastid genomes highlights the need for standardized bioinformatic workflows. In particular, documentation and dissemination of the details of genome assembly, annotation, alignment and phylogenetic tree inference are needed, as these processes are highly sensitive to the choice of software and the precise settings used. Here, we present the procedure and results of sequencing, assembling, annotating and quality-checking of three complete plastid genomes of the aquatic plant genus Cabomba as well as subsequent gene alignment and phylogenetic tree inference. We accompany our findings by a detailed description of the bioinformatic workflow employed. Importantly, we share a total of eleven software scripts for each of these bioinformatic processes, enabling other researchers to evaluate and replicate our analyses step by step. The results of our analyses illustrate that the plastid genomes of Cabomba are highly conserved in both structure and gene content.

Box-and-arrow explanations need not be more abstract than neuroscientific mechanism descriptions.

PubMed

Datteri, Edoardo; Laudisa, Federico

2014-01-01

The nature of the relationship between box-and-arrow (BA) explanations and neuroscientific mechanism descriptions (NMDs) is a key foundational issue for cognitive science. In this article we attempt to identify the nature of the constraints imposed by BA explanations on the formulation of NMDs. On the basis of a case study about motor control, we argue that BA explanations and NMDs both identify regularities that hold in the system, and that these regularities place constraints on the formulation of NMDs from BA analyses, and vice versa. The regularities identified in the two kinds of explanation play a crucial role in reasoning about the relationship between them, and in justifying the use of neuroscientific experimental techniques for the empirical testing of BA analyses of behavior. In addition, we make claims concerning the similarities and differences between BA analyses and NMDs. First, we argue that both types of explanation describe mechanisms. Second, we propose that they differ in terms of the theoretical vocabulary used to denote the entities and properties involved in the mechanism and engaging in regular, mutual interactions. On the contrary, the notion of abstractness, defined as omission of detail, does not help to distinguish BA analyses from NMDs: there is a sense in which BA analyses are more detailed than NMDs. In relation to this, we also focus on the nature of the extra detail included in NMDs and missing from BA analyses, arguing that such detail does not always concern how the system works. Finally, we propose reasons for doubting that BA analyses, unlike NMDs, may be considered "mechanism sketches." We have developed these views by critically analyzing recent claims in the philosophical literature regarding the foundations of cognitive science.

Comparison of Filters Dedicated to Speckle Suppression in SAR Images

NASA Astrophysics Data System (ADS)

Kupidura, P.

2016-06-01

This paper presents the results of research on the effectiveness of different filtering methods dedicated to speckle suppression in SAR images. The tests were performed on RadarSat-2 images and on an artificial image treated with simulated speckle noise. The research analysed the performance of particular filters related to the effectiveness of speckle suppression and to the ability to preserve image details and edges. Speckle is a phenomenon inherent to radar images - a deterministic noise connected with land cover type, but also causing significant changes in digital numbers of pixels. As a result, it may affect interpretation, classification and other processes concerning radar images. Speckle, resembling "salt and pepper" noise, has the form of a set of relatively small groups of pixels of values markedly different from values of other pixels representing the same type of land cover. Suppression of this noise may also cause suppression of small image details, therefore the ability to preserve the important parts of an image, was analysed as well. In the present study, selected filters were tested, and methods dedicated particularly to speckle noise suppression: Frost, Gamma-MAP, Lee, Lee-Sigma, Local Region, general filtering methods which might be effective in this respect: Mean, Median, in addition to morphological filters (alternate sequential filters with multiple structuring element and by reconstruction). The analysis presented in this paper compared the effectiveness of different filtering methods. It proved that some of the dedicated radar filters are efficient tools for speckle suppression, but also demonstrated a significant efficiency of the morphological approach, especially its ability to preserve image details.

Bioinformatics and variability in drug response: a protein structural perspective

PubMed Central

Lahti, Jennifer L.; Tang, Grace W.; Capriotti, Emidio; Liu, Tianyun; Altman, Russ B.

2012-01-01

Marketed drugs frequently perform worse in clinical practice than in the clinical trials on which their approval is based. Many therapeutic compounds are ineffective for a large subpopulation of patients to whom they are prescribed; worse, a significant fraction of patients experience adverse effects more severe than anticipated. The unacceptable risk–benefit profile for many drugs mandates a paradigm shift towards personalized medicine. However, prior to adoption of patient-specific approaches, it is useful to understand the molecular details underlying variable drug response among diverse patient populations. Over the past decade, progress in structural genomics led to an explosion of available three-dimensional structures of drug target proteins while efforts in pharmacogenetics offered insights into polymorphisms correlated with differential therapeutic outcomes. Together these advances provide the opportunity to examine how altered protein structures arising from genetic differences affect protein–drug interactions and, ultimately, drug response. In this review, we first summarize structural characteristics of protein targets and common mechanisms of drug interactions. Next, we describe the impact of coding mutations on protein structures and drug response. Finally, we highlight tools for analysing protein structures and protein–drug interactions and discuss their application for understanding altered drug responses associated with protein structural variants. PMID:22552919

Developing an approach for teaching and learning about Lewis structures

NASA Astrophysics Data System (ADS)

Kaufmann, Ilana; Hamza, Karim M.; Rundgren, Carl-Johan; Eriksson, Lars

2017-08-01

This study explores first-year university students' reasoning as they learn to draw Lewis structures. We also present a theoretical account of the formal procedure commonly taught for drawing these structures. Students' discussions during problem-solving activities were video recorded and detailed analyses of the discussions were made through the use of practical epistemology analysis (PEA). Our results show that the formal procedure was central for drawing Lewis structures, but its use varied depending on situational aspects. Commonly, the use of individual steps of the formal procedure was contingent on experiences of chemical structures, and other information such as the characteristics of the problem given. The analysis revealed a number of patterns in how students constructed, checked and modified the structure in relation to the formal procedure and the situational aspects. We suggest that explicitly teaching the formal procedure as a process of constructing, checking and modifying might be helpful for students learning to draw Lewis structures. By doing so, the students may learn to check the accuracy of the generated structure not only in relation to the octet rule and formal charge, but also to other experiences that are not explicitly included in the formal procedure.

Numerical and Observational Investigations of Long-Lived Mcs-Induced Severe Surface Wind Events: the Derecho

NASA Astrophysics Data System (ADS)

Schmidt, Jerome Michael

This study addresses the production of sustained, straight-line, severe surface winds associated with mesoscale convective systems (MCSs) of extratropical origin otherwise known as derechos. The physical processes which govern the observed derecho characteristics are identified and their possible forcing mechanisms are determined. Detailed observations of two derechos are presented along with simulations using the Colorado State University Regional Atmospheric Modeling System (CSU-RAMS). The observations revealed a derecho environment characterized by strong vertical wind shear through the depth of the troposphere and large values of convective available potential energy (CAPE). The thermodynamic environment of the troposphere in each case had a distinct three-layer structure consisting of: (i) a surface-based stable layer of 1-to-2 km in depth, (ii) an elevated well -mixed layer of 2-4 km in depth, and (iii) an upper tropospheric layer of intermediate stability that extended to the tropopause. Two primary sets of simulations were performed to assess the impact of the observed environmental profiles on the derecho structure, propagation, and longevity. The first set consisted of nested-grid regional-scale simulations initialized from the standard NMC analyses on a domain having relatively coarse horizontal resolution (75 km). The second set of simulations consisted of two and three-dimensional experiments initialized in a horizontally homogeneous environment having a relatively fine horizontal resolution (2 km) and explicit microphysics. The results from these experiments indicate the importance of convectively -induced gravity waves on the MCS structure, propagation, longevity, and severe surface wind development. The sensitivity of the simulated convection and gravity waves to variations in the vertical wind shear and moisture profiles are described. Detailed Doppler radar analyses and 3-D simulations of a severe, bow echo squall line are presented which reveal the unique 3-D circulation features which accompany these mesoscale convective systems. We illustrate how the mesoscale and convective-scale flow fields within the bow echo establish the severe surface wind maximum. (Abstract shortened with permission of author.).

Structural and silver/vanadium ratio effects on silver vanadium phosphorous oxide solution formation kinetics: impact on battery electrochemistry.

PubMed

Bock, David C; Takeuchi, Kenneth J; Marschilok, Amy C; Takeuchi, Esther S

2015-01-21

The detailed understanding of non-faradaic parasitic reactions which diminish battery calendar life is essential to the development of effective batteries for use in long life applications. The dissolution of cathode materials including manganese, cobalt and vanadium oxides in battery systems has been identified as a battery failure mechanism, yet detailed dissolution studies including kinetic analysis are absent from the literature. The results presented here provide a framework for the quantitative and kinetic analyses of the dissolution of cathode materials which will aid the broader community in more fully understanding this battery failure mechanism. In this study, the dissolution of silver vanadium oxide, representing the primary battery powering implantable cardioverter defibrillators (ICD), is compared with the dissolution of silver vanadium phosphorous oxide (Ag(w)VxPyOz) materials which were targeted as alternatives to minimize solubility. This study contains the first kinetic analyses of silver and vanadium solution formation from Ag0.48VOPO4·1.9H2O and Ag2VP2O8, in a non-aqueous battery electrolyte. The kinetic results are compared with those of Ag2VO2PO4 and Ag2V4O11 to probe the relationships among crystal structure, stoichiometry, and solubility. For vanadium, significant dissolution was observed for Ag2V4O11 as well as for the phosphate oxide Ag0.49VOPO4·1.9H2O, which may involve structural water or the existence of multiple vanadium oxidation states. Notably, the materials from the SVPO family with the lowest vanadium solubility are Ag2VO2PO4 and Ag2VP2O8. The low concentrations and solution rates coupled with their electrochemical performance make these materials interesting alternatives to Ag2V4O11 for the ICD application.

GHGRP Yearly Overview

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. These profiles contain detailed analyses. This page hosts data highlights for all sectors.

GHGRP Industrial Profiles

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. These profiles contain detailed analyses. This page hosts data highlights for all sectors.

Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis

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

Klimecka, Maria M.; Chruszcz, Maksymilian; Font, Jose

2012-02-15

For the last decade, worldwide efforts for the treatment of anthrax infection have focused on developing effective vaccines. Patients that are already infected are still treated traditionally using different types of standard antimicrobial agents. The most popular are antibiotics such as tetracyclines and fluoroquinolones. While aminoglycosides appear to be less effective antimicrobial agents than other antibiotics, synthetic aminoglycosides have been shown to act as potent inhibitors of anthrax lethal factor and may have potential application as antitoxins. Here, we present a structural analysis of the BA2930 protein, a putative aminoglycoside acetyltransferase, which may be a component of the bacterium's aminoglycosidemore » resistance mechanism. The determined structures revealed details of a fold characteristic only for one other protein structure in the Protein Data Bank, namely, YokD from Bacillus subtilis. Both BA2930 and YokD are members of the Antibiotic-NAT superfamily (PF02522). Sequential and structural analyses showed that residues conserved throughout the Antibiotic-NAT superfamily are responsible for the binding of the cofactor acetyl coenzyme A. The interaction of BA2930 with cofactors was characterized by both crystallographic and binding studies.« less

A short review of nanographenes: structures, properties and applications

NASA Astrophysics Data System (ADS)

Dai, Yafei; Liu, Yi; Ding, Kai; Yang, Jinlong

2018-04-01

Graphene has attracted great interest in the science and technology since it was exfoliated mechanically from the graphite in 2004. Although graphene has various potential applications, its practical applications are constrained enormously by its serious drawbacks, such as zero band gap, tendency of aggregation between layers and hydrophobicity, which mainly caused by the infinite planar hexagonal structure of graphene. Considering that the structural defects in the honeycomb lattice and the edges of graphene break the infinite structure and thus change the properties, which may improve the application efficiency, nanographene (NG) is proposed and attracts extensive attention. In this work, we review the structures of multifarious well-defined NGs synthesised in recent experiments. The effects of the shape, size, edges and substituents of NGs to the properties are discussed in detail and the regulation for various properties of NG is analysed. For the well-defined NGs, including planar and non-planar ones, the challenges and perspectives of their potential applications in nonlinear optical material, gas molecular detector and gas separation material, hydrogen storage material, and hole-transporting material in perovskite solar cells are envisioned.

Neutral N-glycan patterns of the gastropods Limax maximus, Cepaea hortensis, Planorbarius corneus, Arianta arbustorum and Achatina fulica.

PubMed

Gutternigg, Martin; Bürgmayr, Sabine; Pöltl, Gerald; Rudolf, Judith; Staudacher, Erika

2007-11-01

The N-glycosylation potentials of Limax maximus, Cepaea hortensis, Planorbarius corneus, Arianta arbustorum and Achatina fulica were analysed by investigation of the N-glycan structures of the skin and viscera glycoproteins by a combination of HPLC and mass-spectrometry methods. It is one of the first steps to enlarge the knowledge on the glycosylation abilities of gastropods, which may help to establish new cell culture systems, to uncover new means for pest control for some species, and to identify carbohydrate-epitopes which may be relevant for immune response. All snails analysed contained mainly oligomannosidic and small paucimannosidic structures, often terminated with 3-O-methylated mannoses. The truncated structures carried modifications by beta1-2-linked xylose to the beta-mannose residue, and/or an alpha-fucosylation, mainly alpha1,6-linked to the innermost N-acetylglucosaminyl residue of the core. Many of these structures were missing the terminal N-acetylglucosamine, which has been shown to be a prerequisite for processing to complex N-glycans in the Golgi. In some species (Planorbarius corneus and Achatina fulica) traces of large structures, terminated by 3-O-methylated galactoses and carrying xylose and/or fucose residues, were also detected. In Planorbarius viscera low amounts of terminal alpha1-2-fucosylation were determined. Combining these results, gastropods seem to be capable to produce all kinds of structures ranging from those typical in mammals through to structures similar to those found in plants, insects or nematodes. The detailed knowledge of this very complex glycosylation system of the gastropods will be a valuable tool to understand the principle rules of glycosylation in all organisms.

Geomfinder: a multi-feature identifier of similar three-dimensional protein patterns: a ligand-independent approach.

PubMed

Núñez-Vivanco, Gabriel; Valdés-Jiménez, Alejandro; Besoaín, Felipe; Reyes-Parada, Miguel

2016-01-01

Since the structure of proteins is more conserved than the sequence, the identification of conserved three-dimensional (3D) patterns among a set of proteins, can be important for protein function prediction, protein clustering, drug discovery and the establishment of evolutionary relationships. Thus, several computational applications to identify, describe and compare 3D patterns (or motifs) have been developed. Often, these tools consider a 3D pattern as that described by the residues surrounding co-crystallized/docked ligands available from X-ray crystal structures or homology models. Nevertheless, many of the protein structures stored in public databases do not provide information about the location and characteristics of ligand binding sites and/or other important 3D patterns such as allosteric sites, enzyme-cofactor interaction motifs, etc. This makes necessary the development of new ligand-independent methods to search and compare 3D patterns in all available protein structures. Here we introduce Geomfinder, an intuitive, flexible, alignment-free and ligand-independent web server for detailed estimation of similarities between all pairs of 3D patterns detected in any two given protein structures. We used around 1100 protein structures to form pairs of proteins which were assessed with Geomfinder. In these analyses each protein was considered in only one pair (e.g. in a subset of 100 different proteins, 50 pairs of proteins can be defined). Thus: (a) Geomfinder detected identical pairs of 3D patterns in a series of monoamine oxidase-B structures, which corresponded to the effectively similar ligand binding sites at these proteins; (b) we identified structural similarities among pairs of protein structures which are targets of compounds such as acarbose, benzamidine, adenosine triphosphate and pyridoxal phosphate; these similar 3D patterns are not detected using sequence-based methods; (c) the detailed evaluation of three specific cases showed the versatility of Geomfinder, which was able to discriminate between similar and different 3D patterns related to binding sites of common substrates in a range of diverse proteins. Geomfinder allows detecting similar 3D patterns between any two pair of protein structures, regardless of the divergency among their amino acids sequences. Although the software is not intended for simultaneous multiple comparisons in a large number of proteins, it can be particularly useful in cases such as the structure-based design of multitarget drugs, where a detailed analysis of 3D patterns similarities between a few selected protein targets is essential.

Phylogeographic Reconstruction of African Yellow Fever Virus Isolates Indicates Recent Simultaneous Dispersal into East and West Africa

PubMed Central

Beck, Andrew; Guzman, Hilda; Li, Li; Ellis, Brett; Tesh, Robert B.; Barrett, Alan D. T.

2013-01-01

Yellow fever virus (YFV) is a mosquito-borne flavivirus that is a major public health problem in tropical areas of Africa and South America. There have been detailed studies on YFV ecology in West Africa and South America, but current understanding of YFV circulation on the African continent is incomplete. This inadequacy is especially notable for East and Central Africa, for which the unpredictability of human outbreaks is compounded by limitations in both historical and present surveillance efforts. Sparse availability of nucleotide sequence data makes it difficult to investigate the dispersal of YFV in these regions of the continent. To remedy this, we constructed Bayesian phylogenetic and geographic analyses utilizing 49 partial genomic sequences to infer the structure of YFV divergence across the known range of the virus on the African continent. Relaxed clock analysis demonstrated evidence for simultaneous divergence of YFV into east and west lineages, a finding that differs from previous hypotheses of YFV dispersal from reservoirs located on edges of the endemic range. Using discrete and continuous geographic diffusion models, we provide detailed structure of YFV lineage diversity. Significant transition links between extant East and West African lineages are presented, implying connection between areas of known sylvatic cycling. The results of demographic modeling reinforce the existence of a stably maintained population of YFV with spillover events into human populations occurring periodically. Geographically distinct foci of circulation are reconstructed, which have significant implications for studies of YFV ecology and emergence of human disease. We propose further incorporation of Bayesian phylogeography into formal GIS analyses to augment studies of arboviral disease. PMID:23516640

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

Concerted ligand exchange and the roles of counter anions in the reversible structural switching of crystalline peptide metallo-macrocycles.

PubMed

Miyake, Ryosuke; Shionoya, Mitsuhiko

2014-06-02

To understand reversible structural switching in crystalline materials, we studied the mechanism of reversible crystal-to-crystal transformation of a tetranuclear Ni(II) macrocycle consisting of artificial β-dipeptides. On the basis of detailed structural analyses and thermodynamic measurements made in a comparison of pseudo-isostructural crystals (NO3 and BF4 salts), we herein discuss how ligand-exchange reactions take place in the crystal due to changes in water content and temperature. Observations of the structural transformation of NO3 salt indicated that a pseudo crystalline phase transformation takes place through concerted ligand-exchange reactions at the four Ni(II) centers of the macrocycle with hydrogen bond switching. A mechanism for this ligand exchange was supported by IR spectroscopy. Thermodynamic measurements suggested that the favorable compensation relationship of the enthalpy changes due to water uptake and structural changes are keys to the reversible structural transformation. On the basis of a comparison with the pseudo-isostructural crystals, it is apparent that the crystal packing structure and the types of counter anions are important factors for facilitating reversible ligand exchange with single crystallinity.

Shielding and activation calculations around the reactor core for the MYRRHA ADS design

NASA Astrophysics Data System (ADS)

Ferrari, Anna; Mueller, Stefan; Konheiser, J.; Castelliti, D.; Sarotto, M.; Stankovskiy, A.

2017-09-01

In the frame of the FP7 European project MAXSIMA, an extensive simulation study has been done to assess the main shielding problems in view of the construction of the MYRRHA accelerator-driven system at SCK·CEN in Mol (Belgium). An innovative method based on the combined use of the two state-of-the-art Monte Carlo codes MCNPX and FLUKA has been used, with the goal to characterize complex, realistic neutron fields around the core barrel, to be used as source terms in detailed analyses of the radiation fields due to the system in operation, and of the coupled residual radiation. The main results of the shielding analysis are presented, as well as the construction of an activation database of all the key structural materials. The results evidenced a powerful way to analyse the shielding and activation problems, with direct and clear implications on the design solutions.

Production of giant mouse oocyte nucleoli and assessment of their protein content.

PubMed

Fulka, Helena; Martinkova, Stanislava; Kyogoku, Hirohisa; Langerova, Alena; Fulka, Josef

2012-01-01

Compared with advanced developmental stage embryos and somatic cells, fully grown mammalian oocytes contain specific nucleolus-like structures (NPB - nucleolus precursor bodies). It is commonly accepted that they serve as a store of material(s) from which typical nucleoli are gradually formed. Whilst nucleoli from somatic cells can be collected relatively easily for further biochemical analyses, a sufficient number of oocyte nucleoli is very difficult to obtain. We have found that isolated oocytes nucleoli fuse very efficiently when contact is established between them. Thus, well visible giant nucleoli can be obtained, relatively easily handled and then used for further biochemical analyses. With the use of colloidal gold staining, we estimated that a single fully grown mouse oocyte nucleolus contains approximately 1.6 ng of protein. We do believe that this approach will accelerate further research aiming at analyzing the composition of oocyte nucleoli in more detail.

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

Mungania, J.

Olkaria Geothermal area is located in the central sector of the Kenya, Rift Valley. A 45MW Geothermal power station has been operational at Olkaria since 1985 supplied by 22 of the 26 wells drilled in the Eastern production field (EPF). Between 1988 and 1993, eight more wells referred to as {open_quote}replacement wells{close_quote} were drilled in the same field to boost steam supply to the station. Petrographic analyses of the drill cuttings is usually done to determine detail stratigraphy of the field, extends of hydrothermal activity, subsurface structures and other parameters which may influence production potential of a well. Analyses ofmore » the drill cuttings from the EPF wells show that: Variations in the whole rock alteration intensities correlate with differences in rocktypes. Permeable horizons, especially the productive feeder zones are well marked by enhanced hydrothermal minerals depositions, mainly quartz, calcite, pyrite and epidote. Other aspects of state of reservoir like boiling are signified by presence of bladed calcite.« less

Shuttle freezer conceptual design

NASA Technical Reports Server (NTRS)

Proctor, B. W.; Russell, D. J.

1975-01-01

A conceptual design for a kit freezer for operation onboard shuttle was developed. The freezer features a self-contained unit which can be mounted in the orbiter crew compartment and is capable of storing food at launch and returning with medical samples. Packaging schemes were investigated to provide the optimum storage capacity with a minimum weight and volume penalty. Several types of refrigeration systems were evaluated to select one which would offer the most efficient performance and lowest hazard of safety to the crew. Detailed performance data on the selected, Stirling cycle principled refrigeration unit were developed to validate the feasibility of its application to this freezer. Thermal analyses were performed to determine the adequacy of the thermal insulation to maintain the desired storage temperature with the design cooling capacity. Stress analyses were made to insure the design structure integrity could be maintained over the shuttle flight regime. A proposed prototype freezer development plan is presented.

Two-Level Weld-Material Homogenization for Efficient Computational Analysis of Welded Structure Blast-Survivability

NASA Astrophysics Data System (ADS)

Grujicic, M.; Arakere, G.; Hariharan, A.; Pandurangan, B.

2012-06-01

The introduction of newer joining technologies like the so-called friction-stir welding (FSW) into automotive engineering entails the knowledge of the joint-material microstructure and properties. Since, the development of vehicles (including military vehicles capable of surviving blast and ballistic impacts) nowadays involves extensive use of the computational engineering analyses (CEA), robust high-fidelity material models are needed for the FSW joints. A two-level material-homogenization procedure is proposed and utilized in this study to help manage computational cost and computer storage requirements for such CEAs. The method utilizes experimental (microstructure, microhardness, tensile testing, and x-ray diffraction) data to construct: (a) the material model for each weld zone and (b) the material model for the entire weld. The procedure is validated by comparing its predictions with the predictions of more detailed but more costly computational analyses.

Non-destructive research methods applied on materials for the new generation of nuclear reactors

NASA Astrophysics Data System (ADS)

Bartošová, I.; Slugeň, V.; Veterníková, J.; Sojak, S.; Petriska, M.; Bouhaddane, A.

2014-06-01

The paper is aimed on non-destructive experimental techniques applied on materials for the new generation of nuclear reactors (GEN IV). With the development of these reactors, also materials have to be developed in order to guarantee high standard properties needed for construction. These properties are high temperature resistance, radiation resistance and resistance to other negative effects. Nevertheless the changes in their mechanical properties should be only minimal. Materials, that fulfil these requirements, are analysed in this work. The ferritic-martensitic (FM) steels and ODS steels are studied in details. Microstructural defects, which can occur in structural materials and can be also accumulated during irradiation due to neutron flux or alpha, beta and gamma radiation, were analysed using different spectroscopic methods as positron annihilation spectroscopy and Barkhausen noise, which were applied for measurements of three different FM steels (T91, P91 and E97) as well as one ODS steel (ODS Eurofer).

Behaviour of several fatigue prone bridge details

NASA Astrophysics Data System (ADS)

Kubiš, Petr; Ryjáček, Pavel

2017-09-01

Three fatigue welded bridge joints analysed in this work are the alternative details of the bottom flange connection. This construction detail is mainly used for the erection connection for steel and composite bridges. If applied in the place, where live load is significant, the fatigue becomes the main design criterion. The detail category is thus very important factor. The aim of this paper is to analyse the possibilities of the improving the behaviour of this detail, by various methods. First solution is to modify the shape of the cope hole to the elliptic shape. Second option is to use the “Olemutz” fully welded detail. This detail is often used in bridge designing despite there is no exact information about the fatigue category, and doubts of the performance exists. “Olemutz” is a long web plate slit that is filled by the double bevel weld after the execution of the bottom flange weld. The last detail is the elliptic cope hole filled by the plate-cap welded into an empty hole. The geometry is the same, as in the first case. The conclusion of the numerical analysis and the pilot fatigue experiments is discussed with several practical recommendations for designing.

Application of Formation MicroScanner Log in Structural Analysis of an Ultra-slow Spreading Environment, ODP Hole 1105A

NASA Astrophysics Data System (ADS)

Zarian, P.; Casey, J. F.; Miller, J.

2002-12-01

One of the unconventional research efforts that have been directed to reveal the structure of the lower oceanic crust is the application of Formation MicroScanner log in an ultra-slow spreading environment. Hole 1105A was cored during ODP Leg 179 to a depth of 158m on the Atlantis Platform in the Southwest Indian Ridge with a relative high recovery of 82.8% of gabbroic rocks. Open-hole logs, including FMS borehole images were acquired after the coring operation. Detailed modal, grain size and microstructural analyses of 147 thin sections reveal the relationships between deformation intensity, modal composition and rheology. The microstructural analyses showed that the majority of the oxide-rich gabbros exhibit high deformation intensity textures, which are present only in a few of the oxide-free gabbros. The oxide-rich gabbros represent ductile deformation zones and control the location of major deformation zones within these rocks. Oxide-rich layers can be clearly identified on electrical images and enabled the identification of different deformation features.The calibration of borehole images with core data provides us with more detailed information about the geometry of these oxide-rich layers within the magma chamber such as the dip and true pseudo-stratigraphic thickness of these layers. Also within the intervals of no core recovery, electrical images provide valuable information of the borehole wall. Brittle deformation features such as natural mineralized fractures can be documented throughout the borehole. Statistical results show that oxide-rich layers are relatively steep with an average dip of about 50 degrees and have a dominant E-W strike which is parallel to the ridge. These layers may represent the insitu crystallization of cummulate layers on a magma chamber wall elongated parallel to the ridge, or they may represent shear zones associated with near surface high angle normal faults that cut the main low angle detachment surface which caused the unroofing of the lower oceanic crust at the inner corner of the Ridge-Transform Intersection. These ductile shear zones appear to strike in a ridge parallel orientation, may have acted as syntectonic permeable pathways for fractionated melts infiltrated during the unroofing. Core-log integration also demonstrates the capabilities of electrical borehole images for structural analyses within a hard rock environment.

Transfusion Indication Threshold Reduction (TITRe2) randomized controlled trial in cardiac surgery: statistical analysis plan.

PubMed

Pike, Katie; Nash, Rachel L; Murphy, Gavin J; Reeves, Barnaby C; Rogers, Chris A

2015-02-22

The Transfusion Indication Threshold Reduction (TITRe2) trial is the largest randomized controlled trial to date to compare red blood cell transfusion strategies following cardiac surgery. This update presents the statistical analysis plan, detailing how the study will be analyzed and presented. The statistical analysis plan has been written following recommendations from the International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use, prior to database lock and the final analysis of trial data. Outlined analyses are in line with the Consolidated Standards of Reporting Trials (CONSORT). The study aims to randomize 2000 patients from 17 UK centres. Patients are randomized to either a restrictive (transfuse if haemoglobin concentration <7.5 g/dl) or liberal (transfuse if haemoglobin concentration <9 g/dl) transfusion strategy. The primary outcome is a binary composite outcome of any serious infectious or ischaemic event in the first 3 months following randomization. The statistical analysis plan details how non-adherence with the intervention, withdrawals from the study, and the study population will be derived and dealt with in the analysis. The planned analyses of the trial primary and secondary outcome measures are described in detail, including approaches taken to deal with multiple testing, model assumptions not being met and missing data. Details of planned subgroup and sensitivity analyses and pre-specified ancillary analyses are given, along with potential issues that have been identified with such analyses and possible approaches to overcome such issues. ISRCTN70923932 .

GHGRP Minerals Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Minerals industry.

GHGRP Refineries Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Refineries industry.

GHGRP Chemicals Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Chemicals industry.

GHGRP Metals Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Metals industry.

Unexplored Character Diversity in Onychophora (Velvet Worms): A Comparative Study of Three Peripatid Species

PubMed Central

Oliveira, Ivo de Sena; Franke, Franziska Anni; Hering, Lars; Schaffer, Stefan; Rowell, David M.; Weck-Heimann, Andreas; Monge-Nájera, Julián; Morera-Brenes, Bernal; Mayer, Georg

2012-01-01

Low character variation among onychophoran species has been an obstacle for taxonomic and phylogenetic studies in the past, however we have identified a number of new and informative characters using morphological, molecular, and chromosomal techniques. Our analyses involved a detailed examination of Epiperipatus biolleyi from Costa Rica, Eoperipatus sp. from Thailand, and a new onychophoran species and genus from Costa Rica, Principapillatus hitoyensis gen. et sp. nov.. Scanning electron microscopy on embryos and specimens of varying age revealed novel morphological characters and character states, including the distribution of different receptor types along the antennae, the arrangement and form of papillae on the head, body and legs, the presence and shape of interpedal structures and fields of modified scales on the ventral body surface, the arrangement of lips around the mouth, the number, position and structure of crural tubercles and anal gland openings, and the presence and shape of embryonic foot projections. Karyotypic analyses revealed differences in the number and size of chromosomes among the species studied. The results of our phylogenetic analyses using mitochondrial COI and 12S rRNA gene sequences are in line with morphological and karyotype data. However, our data show a large number of unexplored, albeit informative, characters in the Peripatidae. We suggest that analysing these characters in additional species would help unravel species diversity and phylogeny in the Onychophora, and that inconsistencies among most diagnostic features used for the peripatid genera in the literature could be addressed by identifying a suite of characters common to all peripatids. PMID:23284667

Structural analysis of a frangible nut used on the NASA Space Shuttle

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

Metzinger, K.E.

A structural analysis methodology has been developed for the NASA 2.5-inch frangible nut used on the Space Shuttle. Two of these nuts are used to secure the External Tank to the aft end of the Orbiter. Both nuts must completely fracture before the Orbiter can safely separate from the External Tank. Ideally, only one of the two explosive boosters contained in each nut must detonate to completely break a nut. However, after an uncontrolled change in the Inconel 718 material processing, recent tests indicate that in certain circumstances both boosters may be required. This report details the material characterization andmore » subsequent structural analyses of nuts manufactured from two lots of Inconel 718. The nuts from the HSX lot were observed to consistently separate with only one booster, while the nuts from the HBT lot never completely fracture with a single booster. The material characterization requires only tensile test data and the determination of a tearing parameter based on a computer simulation of a tensile test. Subsequent structural analyses using the PRONTO2D finite element code correctly predict the differing response of nuts fabricated from these two lots. This agreement is important because it demonstrates that this technique can be used to screen lots of Inconel 718 before manufacturing frangible nuts from them. To put this new capability to practice, Sandia personnel have transferred this technology to the Pyrotechnics Group at NASA-JSC.« less

Morphology and nano-structure analysis of soot particles sampled from high pressure diesel jet flames under diesel-like conditions

NASA Astrophysics Data System (ADS)

Jiang, Hao; Li, Tie; Wang, Yifeng; He, Pengfei

2018-04-01

Soot particles emitted from diesel engines have a significant impact on the atmospheric environment. Detailed understanding of soot formation and oxidation processes is helpful for reducing the pollution of soot particles, which requires information such as the size and nano-structure parameters of the soot primary particles sampled in a high-temperature and high-pressure diesel jet flame. Based on the thermophoretic principle, a novel sampling probe minimally disturbing the diesel jet flame in a constant volume combustion vessel is developed for analysing soot particles. The injected quantity of diesel fuel is less than 10 mg, and the soot particles sampled by carriers with a transmission electron microscope (TEM) grid and lacey TEM grid can be used to analyse the morphologies of soot aggregates and the nano-structure of the soot primary particles, respectively. When the quantity of diesel fuel is more than 10 mg, in order to avoid burning-off of the carriers in higher temperature and pressure conditions, single-crystal silicon chips are employed. Ultrasonic oscillations and alcohol extraction are then implemented to obtain high quality soot samples for observation using a high-resolution transmission electron microscope. An in-house Matlab-based code is developed to extract the nano-structure parameters of the soot particles. A complete sampling and analysis procedure of the soot particles is provided to study the formation and oxidation mechanism of soot.

Exploration of Structural and Functional Variations Owing to Point Mutations in α-NAGA.

PubMed

Meshach Paul, D; Rajasekaran, R

2018-03-01

Schindler disease is a lysosomal storage disorder caused due to deficiency or defective activity of alpha-N-acetylgalactosaminidase (α-NAGA). Mutations in gene encoding α-NAGA cause wide range of diseases, characterized with mild to severe clinical features. Molecular effects of these mutations are yet to be explored in detail. Therefore, this study was focused on four missense mutations of α-NAGA namely, S160C, E325K, R329Q and R329W. Native and mutant structures of α-NAGA were analysed to determine geometrical deviations such as the contours of root mean square deviation, root mean square fluctuation, percentage of residues in allowed regions of Ramachandran plot and solvent accessible surface area, using conformational sampling technique. Additionally, global energy-minimized structures of native and mutants were further analysed to compute their intra-molecular interactions, hydrogen bond dilution and distribution of secondary structure. In addition, docking studies were also performed to determine variations in binding energies between native and mutants. The deleterious effects of mutants were evident due to variations in their active site residues pertaining to spatial conformation and flexibility, comparatively. Hence, variations exhibited by mutants, namely S160C, E325K, R329Q and R329W to that of native, consequently, lead to the detrimental effects causing Schindler disease. This study computationally explains the underlying reasons for the pathogenesis of the disease, thereby aiding future researchers in drug development and disease management.

Modeling of Damage Initiation and Progression in a SiC/SiC Woven Ceramic Matrix Composite

NASA Technical Reports Server (NTRS)

Mital, Subodh K.; Goldberg, Robert K.; Bonacuse, Peter J.

2012-01-01

The goal of an ongoing project at NASA Glenn is to investigate the effects of the complex microstructure of a woven ceramic matrix composite and its variability on the effective properties and the durability of the material. Detailed analysis of these complex microstructures may provide clues for the material scientists who `design the material? or to structural analysts and designers who `design with the material? regarding damage initiation and damage propagation. A model material system, specifically a five-harness satin weave architecture CVI SiC/SiC composite composed of Sylramic-iBN fibers and a SiC matrix, has been analyzed. Specimens of the material were serially sectioned and polished to capture the detailed images of fiber tows, matrix and porosity. Open source analysis tools were used to isolate various constituents and finite elements models were then generated from simplified models of those images. Detailed finite element analyses were performed that examine how the variability in the local microstructure affected the macroscopic behavior as well as the local damage initiation and progression. Results indicate that the locations where damage initiated and propagated is linked to specific microstructural features.

A Numerical and Experimental Study of Damage Growth in a Composite Laminate

NASA Technical Reports Server (NTRS)

McElroy, Mark; Ratcliffe, James; Czabaj, Michael; Wang, John; Yuan, Fuh-Gwo

2014-01-01

The present study has three goals: (1) perform an experiment where a simple laminate damage process can be characterized in high detail; (2) evaluate the performance of existing commercially available laminate damage simulation tools by modeling the experiment; (3) observe and understand the underlying physics of damage in a composite honeycomb sandwich structure subjected to low-velocity impact. A quasi-static indentation experiment has been devised to provide detailed information about a simple mixed-mode damage growth process. The test specimens consist of an aluminum honeycomb core with a cross-ply laminate facesheet supported on a stiff uniform surface. When the sample is subjected to an indentation load, the honeycomb core provides support to the facesheet resulting in a gradual and stable damage growth process in the skin. This enables real time observation as a matrix crack forms, propagates through a ply, and then causes a delamination. Finite element analyses were conducted in ABAQUS/Explicit(TradeMark) 6.13 that used continuum and cohesive modeling techniques to simulate facesheet damage and a geometric and material nonlinear model to simulate core crushing. The high fidelity of the experimental data allows a detailed investigation and discussion of the accuracy of each numerical modeling approach.

ICAN/PART: Particulate composite analyzer, user's manual and verification studies

NASA Technical Reports Server (NTRS)

Goldberg, Robert K.; Murthy, Pappu L. N.; Mital, Subodh K.

1996-01-01

A methodology for predicting the equivalent properties and constituent microstresses for particulate matrix composites, based on the micromechanics approach, is developed. These equations are integrated into a computer code developed to predict the equivalent properties and microstresses of fiber reinforced polymer matrix composites to form a new computer code, ICAN/PART. Details of the flowchart, input and output for ICAN/PART are described, along with examples of the input and output. Only the differences between ICAN/PART and the original ICAN code are described in detail, and the user is assumed to be familiar with the structure and usage of the original ICAN code. Detailed verification studies, utilizing dim dimensional finite element and boundary element analyses, are conducted in order to verify that the micromechanics methodology accurately models the mechanics of particulate matrix composites. ne equivalent properties computed by ICAN/PART fall within bounds established by the finite element and boundary element results. Furthermore, constituent microstresses computed by ICAN/PART agree in average sense with results computed using the finite element method. The verification studies indicate that the micromechanics programmed into ICAN/PART do indeed accurately model the mechanics of particulate matrix composites.

Characteristics of sedimentary structures in coarse-grained alluvial rivers

NASA Astrophysics Data System (ADS)

Ackerley, David; Powell, Mark

2013-04-01

The characteristics of coarse-grained alluvial surfaces have important implications for the estimation of flow resistance, entrainment thresholds and sediment transport rates in gravel-bed rivers. This area of research has, thus, demanded attention from geomorphologists, sedimentologists, and river engineers. The majority of research has focused towards understanding the characteristics and adjustments in surface grain size. Bed stability, however, is not ultimately defined by particle size but how grains are arranged within the bed surface. For example, by the organisation of particles into a variety of grain and form scale sedimentary structures and bedforms (e.g. imbrication; pebble clusters, stone nets, transverse ribs). While it is widely acknowledged sedimentary structuring must be considered within estimates of flow resistance and sediment transport, relatively little is known about the structural properties of water-worked river gravels. As a consequence, we remain woefully ignorant of this important aspect of gravel-bed river sedimentology. The aim of this poster is to present some preliminary results of a study designed to characterise the morphodynamics of sedimentary structures in coarse-grained alluvial rivers and their implications upon entrainment thresholds and sediment transport rates. The poster focuses on investigating the variability in grain and form scale sedimentary structuring across a number of field sites. Representative patches of three gravel bars on the Rivers Wharfe, Manifold and Afon Elan, UK, have been surveyed using a Leica HDS 3000 Terrestrial Laser Scanner. The resultant raw point-cloud data, recorded at a 4mm resolution, has been registered, filtered, and interpolated to produce highly detailed 2½D digital elevation models of gravel-bed surface topography. These surfaces have been analysed using a number of structural parameters including bed elevation probability distribution function statistics (standard deviation, skewness, kurtosis), semivariograms, and inclination indices. This research enhances our understanding of alluvial bed surface structures and lays the foundations for developing a more detailed understanding of their morphodynamics.

Can biochemistry drive drug discovery beyond simple potency measurements?

PubMed

Chène, Patrick

2012-04-01

Among the fields of expertise required to develop drugs successfully, biochemistry holds a key position in drug discovery at the interface between chemistry, structural biology and cell biology. However, taking the example of protein kinases, it appears that biochemical assays are mostly used in the pharmaceutical industry to measure compound potency and/or selectivity. This limited use of biochemistry is surprising, given that detailed biochemical analyses are commonly used in academia to unravel molecular recognition processes. In this article, I show that biochemistry can provide invaluable information on the dynamics and energetics of compound-target interactions that cannot be obtained on the basis of potency measurements and structural data. Therefore, an extensive use of biochemistry in drug discovery could facilitate the identification and/or development of new drugs. Copyright © 2012 Elsevier Ltd. All rights reserved.

A Practical Engineering Approach to Predicting Fatigue Crack Growth in Riveted Lap Joints

NASA Technical Reports Server (NTRS)

Harris, Charles E.; Piascik, Robert S.; Newman, James C., Jr.

1999-01-01

An extensive experimental database has been assembled from very detailed teardown examinations of fatigue cracks found in rivet holes of fuselage structural components. Based on this experimental database, a comprehensive analysis methodology was developed to predict the onset of widespread fatigue damage in lap joints of fuselage structure. Several computer codes were developed with specialized capabilities to conduct the various analyses that make up the comprehensive methodology. Over the past several years, the authors have interrogated various aspects of the analysis methods to determine the degree of computational rigor required to produce numerical predictions with acceptable engineering accuracy. This study led to the formulation of a practical engineering approach to predicting fatigue crack growth in riveted lap joints. This paper describes the practical engineering approach and compares predictions with the results from several experimental studies.

A Practical Engineering Approach to Predicting Fatigue Crack Growth in Riveted Lap Joints

NASA Technical Reports Server (NTRS)

Harris, C. E.; Piascik, R. S.; Newman, J. C., Jr.

2000-01-01

An extensive experimental database has been assembled from very detailed teardown examinations of fatigue cracks found in rivet holes of fuselage structural components. Based on this experimental database, a comprehensive analysis methodology was developed to predict the onset of widespread fatigue damage in lap joints of fuselage structure. Several computer codes were developed with specialized capabilities to conduct the various analyses that make up the comprehensive methodology. Over the past several years, the authors have interrogated various aspects of the analysis methods to determine the degree of computational rigor required to produce numerical predictions with acceptable engineering accuracy. This study led to the formulation of a practical engineering approach to predicting fatigue crack growth in riveted lap joints. This paper describes the practical engineering approach and compares predictions with the results from several experimental studies.

The NASA/Industry Design Analysis Methods for Vibrations (DAMVIBS) Program - A government overview. [of rotorcraft technology development using finite element method

NASA Technical Reports Server (NTRS)

Kvaternik, Raymond G.

1992-01-01

An overview is presented of government contributions to the program called Design Analysis Methods for Vibrations (DAMV) which attempted to develop finite-element-based analyses of rotorcraft vibrations. NASA initiated the program with a finite-element modeling program for the CH-47D tandem-rotor helicopter. The DAMV program emphasized four areas including: airframe finite-element modeling, difficult components studies, coupled rotor-airframe vibrations, and airframe structural optimization. Key accomplishments of the program include industrywide standards for modeling metal and composite airframes, improved industrial designs for vibrations, and the identification of critical structural contributors to airframe vibratory responses. The program also demonstrated the value of incorporating secondary modeling details to improving correlation, and the findings provide the basis for an improved finite-element-based dynamics design-analysis capability.

Structured models of infectious disease: inference with discrete data

PubMed Central

Metcalf, C.J.E.; Lessler, J.; Klepac, P.; Morice, A.; Grenfell, B.T.; Bjørnstad, O.N.

2014-01-01

The usage of structured population models can make substantial contributions to public health, particularly for infections where clinical outcomes vary over age. There are three theoretical challenges in implementing such analyses: i) developing an appropriate framework that models both demographic and epidemiological transitions; ii) parameterizing the framework, where parameters may be based on data ranging from the biological course of infection, basic patterns of human demography, specific characteristics of population growth, and details of vaccination regimes implemented; and iii) evaluating public health strategies in the face of changing human demography. We illustrate the general approach by developing a model of rubella in Costa Rica. The demographic profile of this infection is a crucial aspect of its public health impact, and we use a transient perturbation analysis to explore the impact of changing human demography on immunization strategies implemented. PMID:22178687

Structural and molecular characterization of the prefoldin beta subunit from Thermococcus strain KS-1.

PubMed

Kida, Hiroshi; Sugano, Yuri; Iizuka, Ryo; Fujihashi, Masahiro; Yohda, Masafumi; Miki, Kunio

2008-11-14

Prefoldin (PFD) is a heterohexameric molecular chaperone that is found in eukaryotic cytosol and archaea. PFD is composed of alpha and beta subunits and forms a "jellyfish-like" structure. PFD binds and stabilizes nascent polypeptide chains and transfers them to group II chaperonins for completion of their folding. Recently, the whole genome of Thermococcus kodakaraensis KOD1 was reported and shown to contain the genes of two alpha and two beta subunits of PFD. The genome of Thermococcus strain KS-1 also possesses two sets of alpha (alpha1 and alpha2) and beta subunits (beta1 and beta2) of PFD (TsPFD). However, the functions and roles of each of these PFD subunits have not been investigated in detail. Here, we report the crystal structure of the TsPFD beta1 subunit at 1.9 A resolution and its functional analysis. TsPFD beta1 subunits form a tetramer with four coiled-coil tentacles resembling the jellyfish-like structure of heterohexameric PFD. The beta hairpin linkers of beta1 subunits assemble to form a beta barrel "body" around a central fourfold axis. Size-exclusion chromatography and multi-angle light-scattering analyses show that the beta1 subunits form a tetramer at pH 8.0 and a dimer of tetramers at pH 6.8. The tetrameric beta1 subunits can protect against aggregation of relatively small proteins, insulin or lysozyme. The structural and biochemical analyses imply that PFD beta1 subunits act as molecular chaperones in living cells of some archaea.

Reconstruction of the strain pattern in the Somma-Vesuvius area: field and remote sensing analyses

NASA Astrophysics Data System (ADS)

D'Assisi Tramparulo, Francesco; Bisson, Marina; Isaia, Roberto; Tadini, Alessandro; Vitale, Stefano

2016-04-01

Keywords: Somma-Vesuvio, structural analysis, volcano-tectonics. This study present a detailed structural analysis of the Somma-Vesuvio (SV) volcanic complex that couples field data about faults, fractures and dykes with the analysis of lineaments identified from high-resolution (1m) DTM deriving from LiDAR data. Field data were collected within the SV caldera,in some quarries along the volcano flanks, and in few outcrops along the carbonate reliefs bounding the southern sector of the Campania plain. A total of 8,500 orientation data have been analyzed through rose diagrams and inversion methods while a total of more than 4,000 lineaments were identified after the analyses of multiple hill shades obtained by applying different pseudo-illuminations (from NW, NE, SE and SW) and appropriate filters to the original DTM. Results indicate a complex interaction between volcanic (local) and tectonic (regional) stress fields. The preliminary analysis of lineaments indicate that most of them are radial with respect to the center of the caldera, however a "tectonic" component is present, mainly represented by the NNE-SSW, ENE-WSW and the well-known Apenninic (NW-SE) direction.

Low temperature surface chemistry and nanostructures

NASA Astrophysics Data System (ADS)

Sergeev, G. B.; Shabatina, T. I.

2002-03-01

The new scientific field of low temperature surface chemistry, which combines the low temperature chemistry (cryochemistry) and surface chemistry approaches, is reviewed in this paper. One of the most exciting achievements in this field of science is the development of methods to create highly ordered hybrid nanosized structures on different organic and inorganic surfaces and to encapsulate nanosized metal particles in organic and polymer matrices. We consider physical and chemical behaviour for the systems obtained by co-condensation of the components vapours on the surfaces cooled down to 4-10 and 70-100 K. In particular the size effect of both types, the number of atoms in the reactive species structure and the thickness of growing co-condensate film, on the chemical activity of the system is analysed in detail. The effect of the internal mechanical stresses on the growing interfacial co-condensate film formation and on the generation of fast (explosive) spontaneous reactions at low temperatures is discussed. The examples of unusual chemical interactions of metal atoms, clusters and nanosized particles, obtained in co-condensate films on the cooled surfaces under different conditions, are presented. The examples of highly ordered surface and volume hybrid nanostructures formation are analysed.

In search of details of patient teaching in nursing documentation--an analysis of patient records in a medical ward in Sweden.

PubMed

Friberg, Febe; Bergh, Anne-Louise; Lepp, Margret

2006-12-01

The aim of this study was to identify terms and expressions indicating patients' need for knowledge and understanding, as well as nurses' teaching interventions, as documented in nursing records. Previous international studies have shown that nursing documentation is often deficient in terms of recording patient teaching. Patient records (N = 35) were collected in a general medical ward in a hospital in Sweden. The data contain 206 days of nursing documentation. The records were analysed with regard to content and structure. Terms and expressions indicating patients' need for knowledge and understanding and terms and expressions indicating nurses' teaching activities were analysed. The results showed that patients' need for knowledge is implicitly indicated by conceptions and experiences as well as questions. Furthermore, nurses' implicit teaching interventions consist of information, motivating conversations, explanations, instructions and setting expectations. However, the content and structure of the pedagogical activities in the patient records are fragmented and vague. Efforts must be directed towards elaborating upon the above-mentioned terms and expressions as indications of patients' need for knowledge and nurses' teaching interventions. Moreover, these terms and expressions must be recognized and acknowledged.

Ternary rare earth sulfide CaCe2S4: Synthesis and characterization of stability, structure, and photoelectrochemical properties in aqueous media

NASA Astrophysics Data System (ADS)

Sotelo, Paola; Orr, Melissa; Galante, Miguel Tayar; Hossain, Mohammad Kabir; Firouzan, Farinaz; Vali, Abbas; Li, Jun; Subramanian, Mas; Longo, Claudia; Rajeshwar, Krishnan; Macaluso, Robin T.

2018-06-01

A red-orange rare earth ternary chalcogenide, CaCe2S4, was prepared in powder form by solid-state synthesis. The structural details of this compound were determined by powder X-ray diffraction. The optical band gap of CaCe2S4 was determined by diffuse reflectance spectroscopy (DRS) to be 2.1 eV, consistent with the observed red-orange color. Quantitative colorimetry measurements also support the observed color and band gap of CaCe2S4. Both direct and indirect optical transitions were gleaned from Tauc analyses of the DRS data. Photoelectrochemistry experiments on CaCe2S4 films showed n-type semiconductor behavior. Analyses of these data via the Butler-Gärtner model afforded a flat-band potential of - 0.33 V (vs. Ag/AgCl/KCl 4 M) in pH 9 aqueous sulfite electrolyte. The potential and limitations of this material for solar water splitting and photocatalytic environmental remediation (e.g., dye photodegradation) are finally presented against the backdrop of its photoelectrochemical stability and surface hole transfer kinetics in aqueous electrolytes.

Revealing biological information using data structuring and automated learning.

PubMed

Mohorianu, Irina; Moulton, Vincent

2010-11-01

The intermediary steps between a biological hypothesis, concretized in the input data, and meaningful results, validated using biological experiments, commonly employ bioinformatics tools. Starting with storage of the data and ending with a statistical analysis of the significance of the results, every step in a bioinformatics analysis has been intensively studied and the resulting methods and models patented. This review summarizes the bioinformatics patents that have been developed mainly for the study of genes, and points out the universal applicability of bioinformatics methods to other related studies such as RNA interference. More specifically, we overview the steps undertaken in the majority of bioinformatics analyses, highlighting, for each, various approaches that have been developed to reveal details from different perspectives. First we consider data warehousing, the first task that has to be performed efficiently, optimizing the structure of the database, in order to facilitate both the subsequent steps and the retrieval of information. Next, we review data mining, which occupies the central part of most bioinformatics analyses, presenting patents concerning differential expression, unsupervised and supervised learning. Last, we discuss how networks of interactions of genes or other players in the cell may be created, which help draw biological conclusions and have been described in several patents.

3-dimensional electron microscopic imaging of the zebrafish olfactory bulb and dense reconstruction of neurons.

PubMed

Wanner, Adrian A; Genoud, Christel; Friedrich, Rainer W

2016-11-08

Large-scale reconstructions of neuronal populations are critical for structural analyses of neuronal cell types and circuits. Dense reconstructions of neurons from image data require ultrastructural resolution throughout large volumes, which can be achieved by automated volumetric electron microscopy (EM) techniques. We used serial block face scanning EM (SBEM) and conductive sample embedding to acquire an image stack from an olfactory bulb (OB) of a zebrafish larva at a voxel resolution of 9.25×9.25×25 nm 3 . Skeletons of 1,022 neurons, 98% of all neurons in the OB, were reconstructed by manual tracing and efficient error correction procedures. An ergonomic software package, PyKNOSSOS, was created in Python for data browsing, neuron tracing, synapse annotation, and visualization. The reconstructions allow for detailed analyses of morphology, projections and subcellular features of different neuron types. The high density of reconstructions enables geometrical and topological analyses of the OB circuitry. Image data can be accessed and viewed through the neurodata web services (http://www.neurodata.io). Raw data and reconstructions can be visualized in PyKNOSSOS.

3-dimensional electron microscopic imaging of the zebrafish olfactory bulb and dense reconstruction of neurons

PubMed Central

Wanner, Adrian A.; Genoud, Christel; Friedrich, Rainer W.

2016-01-01

Large-scale reconstructions of neuronal populations are critical for structural analyses of neuronal cell types and circuits. Dense reconstructions of neurons from image data require ultrastructural resolution throughout large volumes, which can be achieved by automated volumetric electron microscopy (EM) techniques. We used serial block face scanning EM (SBEM) and conductive sample embedding to acquire an image stack from an olfactory bulb (OB) of a zebrafish larva at a voxel resolution of 9.25×9.25×25 nm3. Skeletons of 1,022 neurons, 98% of all neurons in the OB, were reconstructed by manual tracing and efficient error correction procedures. An ergonomic software package, PyKNOSSOS, was created in Python for data browsing, neuron tracing, synapse annotation, and visualization. The reconstructions allow for detailed analyses of morphology, projections and subcellular features of different neuron types. The high density of reconstructions enables geometrical and topological analyses of the OB circuitry. Image data can be accessed and viewed through the neurodata web services (http://www.neurodata.io). Raw data and reconstructions can be visualized in PyKNOSSOS. PMID:27824337

A case study analysing the process of analogy-based learning in a teaching unit about simple electric circuits

NASA Astrophysics Data System (ADS)

Paatz, Roland; Ryder, James; Schwedes, Hannelore; Scott, Philip

2004-09-01

The purpose of this case study is to analyse the learning processes of a 16-year-old student as she learns about simple electric circuits in response to an analogy-based teaching sequence. Analogical thinking processes are modelled by a sequence of four steps according to Gentner's structure mapping theory (activate base domain, postulate local matches, connect them to a global match, draw candidate inferences). We consider whether Gentner's theory can be used to account for the details of this specific teaching/learning context. The case study involved video-taping teaching and learning activities in a 10th-grade high school course in Germany. Teaching used water flow through pipes as an analogy for electrical circuits. Using Gentner's theory, relational nets were created from the student's statements at different stages of her learning. Overall, these nets reflect the four steps outlined earlier. We also consider to what extent the learning processes revealed by this case study are different from previous analyses of contexts in which no analogical knowledge is available.

MolTalk – a programming library for protein structures and structure analysis

PubMed Central

Diemand, Alexander V; Scheib, Holger

2004-01-01

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

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

PubMed

Diemand, Alexander V; Scheib, Holger

2004-04-19

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

GHGRP Petroleum and Natural Gas Systems Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. These profiles contain detailed analyses for Petroleum and Natural Gas Systems.

GHGRP Miscellaneous Combustion Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Miscellaneous Combustion industry.

Archive of GHGRP Refineries Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Refineries industry.

GHGRP Power Plants Sector Industrial Profiles

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. These profiles, available for download below, contain detailed analyses for the Power Plants industry.

Archive of GHGRP Chemicals Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Chemicals industry.

Archive of GHGRP Yearly Overviews

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. These profiles contain detailed analyses. This page hosts archive of data highlights for all sectors.

GHGRP Electronics Manufacturing Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Electronics Manufacturing industry.

Atomic resolution view into the structure–function relationships of the human myelin peripheral membrane protein P2

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

Ruskamo, Salla; University of Oulu, Oulu; Yadav, Ravi P.

2014-01-01

The structure of the human myelin peripheral membrane protein P2 has been refined at 0.93 Å resolution. In combination with functional experiments in vitro, in vivo and in silico, the fine details of the structure–function relationships in P2 are emerging. P2 is a fatty acid-binding protein expressed in vertebrate peripheral nerve myelin, where it may function in bilayer stacking and lipid transport. P2 binds to phospholipid membranes through its positively charged surface and a hydrophobic tip, and accommodates fatty acids inside its barrel structure. The structure of human P2 refined at the ultrahigh resolution of 0.93 Å allows detailed structuralmore » analyses, including the full organization of an internal hydrogen-bonding network. The orientation of the bound fatty-acid carboxyl group is linked to the protonation states of two coordinating arginine residues. An anion-binding site in the portal region is suggested to be relevant for membrane interactions and conformational changes. When bound to membrane multilayers, P2 has a preferred orientation and is stabilized, and the repeat distance indicates a single layer of P2 between membranes. Simulations show the formation of a double bilayer in the presence of P2, and in cultured cells wild-type P2 induces membrane-domain formation. Here, the most accurate structural and functional view to date on P2, a major component of peripheral nerve myelin, is presented, showing how it can interact with two membranes simultaneously while going through conformational changes at its portal region enabling ligand transfer.« less

Content, Structure, and Sequence of the Detailing Discipline at Kendall College of Art and Design.

ERIC Educational Resources Information Center

Mulder, Bruce E.

A study identified the appropriate general content, structure, and sequence for a detailing discipline that promoted student achievement to professional levels. Its focus was the detailing discipline, a sequence of studio courses within the furniture design program at Kendall College of Art and Design, Grand Rapids, Michigan. (Detailing, an…

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

PubMed

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

2015-12-01

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

Energy Efficiency and Sustainability of Different Building Structures in Latvian Climate

NASA Astrophysics Data System (ADS)

Jakovičs, A.; Gendelis, S.; Bandeniece, L.

2015-11-01

Five experimental test buildings have been built in Riga, Latvia. They are identical except external walls for which different mainly regional building materials are used. Calculated U-values of the other walls, floor and ceiling are the same for each test building. Initial moisture influences the relative humidity of indoor air, which can be higher in the initial time period; as a result, heat transmittances are also very different and cause different heating/cooling energy consumption. Overheating risk in summer exists for test buildings with the smallest thermal inertia. Both summer and heating seasons have been analysed and differences between five test houses have been discussed in details.

Bursty, Broadband Electromagnetic Waves Associated with Thin Current Layers and Turbulent Magnetosheath Reconnection

NASA Technical Reports Server (NTRS)

Adrian, M. L.; Wendel, D. E.

2011-01-01

We investigate observations of intense bursts of electromagnetic wave energy in association with the thin current layers of turbulent magnetosheath reconnection. These observed emissions form two distinct types: (i) broadband emissions that extend continuously to lOs of Hertz; and (ii) structured bursts of emitted energy that occur above 80-Hz, often displaying features reminiscent of absorption bands and are observed at local minima in the magnetic field. We present detailed analyses of these intense bursts of electromagnetic energy and quantify their proximity to X- and O-nulls, as well as their correlation to the amount of magnetic energy converted by the process of magnetic reconnection.

Quantitative evaluation of orbital hybridization in carbon nanotubes under radial deformation using π-orbital axis vector

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

Ohnishi, Masato, E-mail: masato.ohnishi@rift.mech.tohoku.ac.jp; Suzuki, Ken; Miura, Hideo, E-mail: hmiura@rift.mech.tohoku.ac.jp

2015-04-15

When a radial strain is applied to a carbon nanotube (CNT), the increase in local curvature induces orbital hybridization. The effect of the curvature-induced orbital hybridization on the electronic properties of CNTs, however, has not been evaluated quantitatively. In this study, the strength of orbital hybridization in CNTs under homogeneous radial strain was evaluated quantitatively. Our analyses revealed the detailed procedure of the change in electronic structure of CNTs. In addition, the dihedral angle, the angle between π-orbital axis vectors of adjacent atoms, was found to effectively predict the strength of local orbital hybridization in deformed CNTs.

Polyoxygenated steroids from the gorgonian Menella woodin with capabilities to modulate ROS levels in macrophages at response to LPS.

PubMed

Tu, Vu A; Lyakhova, Ekaterina G; Diep, Chau N; Kalinovsky, Anatoly I; Dmitrenok, Pavel S; Cuong, Nguyen X; Thanh, Nguyen V; Menchinskaya, Ekaterina S; Pislyagin, Evgeny A; Nam, Nguyen H; Kiem, Phan V; Stonik, Valentin A; Minh, Chau V

2015-12-01

Four new polyoxygenated sterol derivatives (1-4) along with the compounds (5-7) previously known from other biological sources were isolated from the gorgonian Menella woodin, collected from the Vietnamese waters. Structures of 1-4 were elucidated by the detailed NMR spectroscopic and mass-spectrometric analyses as well as comparison with those reported in literature data. Compounds 1, 4, and 6 decrease the production of reactive oxygen species (ROS) by the murine macrophages of RAW 264.7 line at induction by endotoxic lipopolysaccharide (LPS) from Escherichia coli. Copyright © 2015 Elsevier Inc. All rights reserved.

Characterization and transferability of microsatellite markers developed for Carpinus betulus (Betulaceae)1

PubMed Central

Prinz, Kathleen; Finkeldey, Reiner

2015-01-01

Premise of the study: Carpinus betulus (Betulaceae) is an octoploid, ecologically important, common tree species in European woodlands. We established 11 nuclear microsatellite loci allowing for detailed analyses of genetic diversity and structure. Methods and Results: A microsatellite-enriched library was used to develop primers for 11 microsatellite loci that revealed high allele numbers and genetic diversity in a preliminary study. Conclusions: All of the loci developed here are informative for C. betulus. In addition, the loci are transferable to several species within the genus, and almost all loci cross-amplified in species of different genera of the Betulaceae. PMID:26504678

Structural distortions due to missense mutations in human formylglycine-generating enzyme leading to multiple sulfatase deficiency.

PubMed

Meshach Paul, D; Chadah, Tania; Senthilkumar, B; Sethumadhavan, Rao; Rajasekaran, R

2017-11-03

The major candidate for multiple sulfatase deficiency is a defective formylglycine-generating enzyme (FGE). Though adequately produced, mutations in FGE stall the activation of sulfatases and prevent their activity. Missense mutations, viz. E130D, S155P, A177P, W179S, C218Y, R224W, N259I, P266L, A279V, C336R, R345C, A348P, R349Q and R349W associated with multiple sulfatase deficiency are yet to be computationally studied. Aforementioned mutants were initially screened through ws-SNPs&GO 3D program. Mutant R345C acquired the highest score, and hence was studied in detail. Discrete molecular dynamics explored structural distortions due to amino acid substitution. Therein, comparative analyses of wild type and mutant were carried out. Changes in structural contours were observed between wild type and mutant. Mutant had low conformational fluctuation, high atomic mobility and more compactness than wild type. Moreover, free energy landscape showed mutant to vary in terms of its conformational space as compared to wild type. Subsequently, wild type and mutant were subjected to single-model analyses. Mutant had lesser intra molecular interactions than wild type suggesting variations pertaining to its secondary structure. Furthermore, simulated thermal denaturation showed dissimilar pattern of hydrogen bond dilution. Effects of these variations were observed as changes in elements of secondary structure. Docking studies of mutant revealed less favourable binding energy towards its substrate as compared to wild type. Therefore, theoretical explanations for structural distortions of mutant R345C leading to multiple sulfatase deficiency were revealed. The protocol of the study could be useful to examine the effectiveness of pharmacological chaperones prior to experimental studies.

Structural and Textural Characteristics of Selected Copper-Bearing Rocks as One of the Elements Aiding in the Assessment of Gasogeodynamic Hazard

NASA Astrophysics Data System (ADS)

Pajdak, Anna; Kudasik, Mateusz

2017-06-01

The characteristics of copper-bearing rocks that include the structural and textural parameters are an important factor determining a possible gas accumulation in those rocks. In September 2009, in the Rudna copper mine in Poland, an outburst of gases and dolomite occurred. The analysis of the outburst mass showed that one of the main causes of the outburst was the different structural properties such as high porosity and presence of gas in the pores. This paper presents data from the structural analysis of dolomite from the Polkowice-Sieroszowice copper mine and the Rudna copper mine. Seven rock samples from various areas of the mines were tested by the following methods: mercury porosimetry (MIP), low pressure gas adsorption (LPNA), scanning electron microscopy (SEM), computed microtomography (micro-CT). The SEM analyses of the rock samples allowed pores of various sizes and shapes to the observed. The porosity (MIP) of the dolomite changed in the range of 3-15%. The total micro and mesopore volume (LPNA) was from 0.002 cm3/g to 0.005 cm3/g. The macropore volume (MIP) was from 0.01 cm3/g to 0.06 cm3/g and the mean macropore diameter was from 0.09 μm to 0.18 μm. The dolomite samples varied in the surface area (LPNA) (0.7-1.5 m2/g) and the pore distribution. The structure of dolomite determines the possibility of the occurrence of gasogeodynamic phenomena and hence it is urgent that research be conducted into its changeability. To better understand the gasogeodynamic processes in copper-bearing rocks, it is necessary to constantly monitor and analyse in detail those areas that have different structural properties.

In situ optical sequencing and structure analysis of a trinucleotide repeat genome region by localization microscopy after specific COMBO-FISH nano-probing

NASA Astrophysics Data System (ADS)

Stuhlmüller, M.; Schwarz-Finsterle, J.; Fey, E.; Lux, J.; Bach, M.; Cremer, C.; Hinderhofer, K.; Hausmann, M.; Hildenbrand, G.

2015-10-01

Trinucleotide repeat expansions (like (CGG)n) of chromatin in the genome of cell nuclei can cause neurological disorders such as for example the Fragile-X syndrome. Until now the mechanisms are not clearly understood as to how these expansions develop during cell proliferation. Therefore in situ investigations of chromatin structures on the nanoscale are required to better understand supra-molecular mechanisms on the single cell level. By super-resolution localization microscopy (Spectral Position Determination Microscopy; SPDM) in combination with nano-probing using COMBO-FISH (COMBinatorial Oligonucleotide FISH), novel insights into the nano-architecture of the genome will become possible. The native spatial structure of trinucleotide repeat expansion genome regions was analysed and optical sequencing of repetitive units was performed within 3D-conserved nuclei using SPDM after COMBO-FISH. We analysed a (CGG)n-expansion region inside the 5' untranslated region of the FMR1 gene. The number of CGG repeats for a full mutation causing the Fragile-X syndrome was found and also verified by Southern blot. The FMR1 promotor region was similarly condensed like a centromeric region whereas the arrangement of the probes labelling the expansion region seemed to indicate a loop-like nano-structure. These results for the first time demonstrate that in situ chromatin structure measurements on the nanoscale are feasible. Due to further methodological progress it will become possible to estimate the state of trinucleotide repeat mutations in detail and to determine the associated chromatin strand structural changes on the single cell level. In general, the application of the described approach to any genome region will lead to new insights into genome nano-architecture and open new avenues for understanding mechanisms and their relevance in the development of heredity diseases.

Structural, Thermodynamic, Elastic, and Electronic Properties of α-SnS at High Pressure from First-Principles Investigations

NASA Astrophysics Data System (ADS)

Liu, Chun Mei; Xu, Chao; Duan, Man Yi

2015-10-01

SnS has potential technical applications, but many of its properties are still not well studied. In this work, the structural, thermodynamic, elastic, and electronic properties of α-SnS have been investigated by the plane wave pseudo-potential density functional theory with the framework of generalised gradient approximation. The calculated pressure-dependent lattice parameters agree well with the available experimental data. Our thermodynamic properties of α-SnS, including heat capacity CP , entropy S, and Gibbs free energy relation of -(GT -H0) curves, show similar growth trends as the experimental data. At T=298.15 K, our CP =52.31 J/mol·K, S=78.93 J/mol·K, and -(GT -H0)=12.03 J/mol all agree very well with experimental data CP =48.77 J/mol·K and 49.25 J/mol·K, S=76.78 J/mol·K, and -(GT -H0)=12.38 J/mol. The elastic constants, together with other elastic properties, are also computed. The anisotropy analyses indicate obvious elastic anisotropy for α-SnS along different symmetry planes and axes. Moreover, calculations demonstrate that α-SnS is an indirect gap semiconductor, and it transforms to semimetal with pressure increasing up to 10.2 GPa. Combined with the density of states, the characters of the band structure have been analysed in detail.

Molecular mechanics and dynamics characterization of an in silico mutated protein: a stand-alone lab module or support activity for in vivo and in vitro analyses of targeted proteins.

PubMed

Chiang, Harry; Robinson, Lucy C; Brame, Cynthia J; Messina, Troy C

2013-01-01

Over the past 20 years, the biological sciences have increasingly incorporated chemistry, physics, computer science, and mathematics to aid in the development and use of mathematical models. Such combined approaches have been used to address problems from protein structure-function relationships to the workings of complex biological systems. Computer simulations of molecular events can now be accomplished quickly and with standard computer technology. Also, simulation software is freely available for most computing platforms, and online support for the novice user is ample. We have therefore created a molecular dynamics laboratory module to enhance undergraduate student understanding of molecular events underlying organismal phenotype. This module builds on a previously described project in which students use site-directed mutagenesis to investigate functions of conserved sequence features in members of a eukaryotic protein kinase family. In this report, we detail the laboratory activities of a MD module that provide a complement to phenotypic outcomes by providing a hypothesis-driven and quantifiable measure of predicted structural changes caused by targeted mutations. We also present examples of analyses students may perform. These laboratory activities can be integrated with genetics or biochemistry experiments as described, but could also be used independently in any course that would benefit from a quantitative approach to protein structure-function relationships. Copyright © 2013 Wiley Periodicals, Inc.

Defining care products to finance health care in the Netherlands.

PubMed

Westerdijk, Machiel; Zuurbier, Joost; Ludwig, Martijn; Prins, Sarah

2012-04-01

A case-mix project started in the Netherlands with the primary goal to define a complete set of health care products for hospitals. The definition of the product structure was completed 4 years later. The results are currently being used for billing purposes. This paper focuses on the methodology and techniques that were developed and applied in order to define the casemix product structure. The central research question was how to develop a manageable product structure, i.e., a limited set of hospital products, with acceptable cost homogeneity. For this purpose, a data warehouse with approximately 1.5 million patient records from 27 hospitals was build up over a period of 3 years. The data associated with each patient consist of a large number of a priori independent parameters describing the resource utilization in different stages of the treatment process, e.g., activities in the operating theatre, the lab and the radiology department. Because of the complexity of the database, it was necessary to apply advanced data analysis techniques. The full analyses process that starts from the database and ends up with a product definition consists of four basic analyses steps. Each of these steps has revealed interesting insights. This paper describes each step in some detail and presents the major results of each step. The result consists of 687 product groups for 24 medical specialties used for billing purposes.

Archive of GHGRP Petroleum and Natural Gas Systems Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. These profiles contain detailed analyses for Petroleum and Natural Gas Systems.

Archive of GHGRP Power Plants Sector Industrial Profiles

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. These profiles, available for download below, contain detailed analyses for the Power Plants industry.

GHGRP Pulp and Paper Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Pulp and Paper industry.

Modeling hard clinical end-point data in economic analyses.

PubMed

Kansal, Anuraag R; Zheng, Ying; Palencia, Roberto; Ruffolo, Antonio; Hass, Bastian; Sorensen, Sonja V

2013-11-01

The availability of hard clinical end-point data, such as that on cardiovascular (CV) events among patients with type 2 diabetes mellitus, is increasing, and as a result there is growing interest in using hard end-point data of this type in economic analyses. This study investigated published approaches for modeling hard end-points from clinical trials and evaluated their applicability in health economic models with different disease features. A review of cost-effectiveness models of interventions in clinically significant therapeutic areas (CV diseases, cancer, and chronic lower respiratory diseases) was conducted in PubMed and Embase using a defined search strategy. Only studies integrating hard end-point data from randomized clinical trials were considered. For each study included, clinical input characteristics and modeling approach were summarized and evaluated. A total of 33 articles (23 CV, eight cancer, two respiratory) were accepted for detailed analysis. Decision trees, Markov models, discrete event simulations, and hybrids were used. Event rates were incorporated either as constant rates, time-dependent risks, or risk equations based on patient characteristics. Risks dependent on time and/or patient characteristics were used where major event rates were >1%/year in models with fewer health states (<7). Models of infrequent events or with numerous health states generally preferred constant event rates. The detailed modeling information and terminology varied, sometimes requiring interpretation. Key considerations for cost-effectiveness models incorporating hard end-point data include the frequency and characteristics of the relevant clinical events and how the trial data is reported. When event risk is low, simplification of both the model structure and event rate modeling is recommended. When event risk is common, such as in high risk populations, more detailed modeling approaches, including individual simulations or explicitly time-dependent event rates, are more appropriate to accurately reflect the trial data.

A Status Review of the Commercial Supersonic Technology (CST) Aeroservoelasticity (ASE) Project

NASA Technical Reports Server (NTRS)

Silva, Walter A.; Sanetrik, Mark D.; Chwalowski, Pawel; Funk, Christy; Keller, Donald F.; Ringertz, Ulf

2016-01-01

An overview of recent progress regarding the computational aeroelastic and aeroservoelastic (ASE) analyses of a low-boom supersonic configuration is presented. The overview includes details of the computational models developed to date with a focus on unstructured CFD grids, computational aeroelastic analyses, sonic boom propagation studies that include static aeroelastic effects, and gust loads analyses. In addition, flutter boundaries using aeroelastic Reduced-Order Models (ROMs) are presented at various Mach numbers of interest. Details regarding a collaboration with the Royal Institute of Technology (KTH, Stockholm, Sweden) to design, fabricate, and test a full-span aeroelastic wind-tunnel model are also presented.

Superresolution microscopy for microbiology

PubMed Central

Coltharp, Carla; Xiao, Jie

2014-01-01

Summary This review provides a practical introduction to superresolution microscopy from the perspective of microbiological research. Because of the small sizes of bacterial cells, superresolution methods are particularly powerful and suitable for revealing details of cellular structures that are not resolvable under conventional fluorescence light microscopy. Here we describe the methodological concepts behind three major categories of super-resolution light microscopy: photoactivated localization microscopy (PALM) and stochastic optical reconstruction microscopy (STORM), structured illumination microscopy (SIM) and stimulated emission-depletion (STED) microscopy. We then present recent applications of each of these techniques to microbial systems, which have revealed novel conformations of cellular structures and described new properties of in vivo protein function and interactions. Finally, we discuss the unique issues related to implementing each of these superresolution techniques with bacterial specimens and suggest avenues for future development. The goal of this review is to provide the necessary technical background for interested microbiologists to choose the appropriate super-resolution method for their biological systems, and to introduce the practical considerations required for designing and analysing superresolution imaging experiments. PMID:22947061

Axisymmetric shell analysis of the Space Shuttle solid rocket booster field joint

NASA Technical Reports Server (NTRS)

Nemeth, Michael P.; Anderson, Melvin S.

1989-01-01

The Space Shuttle Challenger (STS 51-L) accident led to an intense investigation of the structural behavior of the solid rocket booster (SRB) tang and clevis field joints. The presence of structural deformations between the clevis inner leg and the tang, substantial enough to prevent the O-ring seals from eliminating hot gas flow through the joints, has emerged as a likely cause of the vehicle failure. This paper presents results of axisymmetric shell analyses that parametrically assess the structural behavior of SRB field joints subjected to quasi-steady-state internal pressure loading for both the original joint flown on mission STS 51-L and the redesigned joint recently flown on the Space Shuttle Discovery. Discussion of axisymmetric shell modeling issues and details is presented and a generic method for simulating contact between adjacent shells of revolution is described. Results are presented that identify the performance trends of the joints for a wide range of joint parameters.

MgCu metallic glass

NASA Astrophysics Data System (ADS)

Durandurdu, Murat

2018-03-01

We generate an amorphous MgCu model using the rapid solidification of the melt through a first-principles molecular dynamics approach within a generalised gradient approximation and reveal, for the first time, its structural features and mechanical properties in details. The liquid and glassy MgCu are found to acquire slightly distinct local structures. Yet in both forms of MgCu, most Cu atoms have a tendency to form the ideal and defective icosahedrons while Mg atoms are arranged in complex configurations. The mean coordination number of Cu and Mg at 300 K is 11.31 and 13.73, respectively. The short-range order of MgCu glass is projected to be different than the known crystalline MgCu and Mg2Cu phases. The mechanical properties of MgCu glass and the CsCl-type MgCu crystal are computed and compared. On the basis of the enthalpy analyses, a possible pressure-induced crystallisation of the MgCu glass into a CsCl-type structure is proposed to occur at around 11 GPa.

Quinone Reductase 2 Is a Catechol Quinone Reductase

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

Fu, Yue; Buryanovskyy, Leonid; Zhang, Zhongtao

2008-09-05

The functions of quinone reductase 2 have eluded researchers for decades even though a genetic polymorphism is associated with various neurological disorders. Employing enzymatic studies using adrenochrome as a substrate, we show that quinone reductase 2 is specific for the reduction of adrenochrome, whereas quinone reductase 1 shows no activity. We also solved the crystal structure of quinone reductase 2 in complexes with dopamine and adrenochrome, two compounds that are structurally related to catecholamine quinones. Detailed structural analyses delineate the mechanism of quinone reductase 2 specificity toward catechol quinones in comparison with quinone reductase 1; a side-chain rotational difference betweenmore » quinone reductase 1 and quinone reductase 2 of a single residue, phenylalanine 106, determines the specificity of enzymatic activities. These results infer functional differences between two homologous enzymes and indicate that quinone reductase 2 could play important roles in the regulation of catecholamine oxidation processes that may be involved in the etiology of Parkinson disease.« less

AMTD - Advanced Mirror Technology Development in Mechanical Stability

NASA Technical Reports Server (NTRS)

Knight, J. Brent

2015-01-01

Analytical tools and processes are being developed at NASA Marshal Space Flight Center in support of the Advanced Mirror Technology Development (AMTD) project. One facet of optical performance is mechanical stability with respect to structural dynamics. Pertinent parameters are: (1) the spacecraft structural design, (2) the mechanical disturbances on-board the spacecraft (sources of vibratory/transient motion such as reaction wheels), (3) the vibration isolation systems (invariably required to meet future science needs), and (4) the dynamic characteristics of the optical system itself. With stability requirements of future large aperture space telescopes being in the lower Pico meter regime, it is paramount that all sources of mechanical excitation be considered in both feasibility studies and detailed analyses. The primary objective of this paper is to lay out a path to perform feasibility studies of future large aperture space telescope projects which require extreme stability. To get to that end, a high level overview of a structural dynamic analysis process to assess an integrated spacecraft and optical system is included.

Approaches to the structural modelling of insect wings.

PubMed Central

Wootton, R J; Herbert, R C; Young, P G; Evans, K E

2003-01-01

Insect wings lack internal muscles, and the orderly, necessary deformations which they undergo in flight and folding are in part remotely controlled, in part encoded in their structure. This factor is crucial in understanding their complex, extremely varied morphology. Models have proved particularly useful in clarifying the facilitation and control of wing deformation. Their development has followed a logical sequence from conceptual models through physical and simple analytical to numerical models. All have value provided their limitations are realized and constant comparisons made with the properties and mechanical behaviour of real wings. Numerical modelling by the finite element method is by far the most time-consuming approach, but has real potential in analysing the adaptive significance of structural details and interpreting evolutionary trends. Published examples are used to review the strengths and weaknesses of each category of model, and a summary is given of new work using finite element modelling to investigate the vibration properties and response to impact of hawkmoth wings. PMID:14561349

Ring structure amino acids affect the suppressor activity of melon aphid-borne yellows virus P0 protein.

PubMed

Han, Yan-Hong; Xiang, Hai-Ying; Wang, Qian; Li, Yuan-Yuan; Wu, Wen-Qi; Han, Cheng-Gui; Li, Da-Wei; Yu, Jia-Lin

2010-10-10

Melon aphid-borne yellows virus (MABYV) is a newly identified polerovirus occurring in China. Here, we demonstrate that the MABYV encoded P0 (P0(MA)) protein is a strong suppressor of post-transcriptional gene silencing (PTGS) with activity comparable to tobacco etch virus (TEV) HC-Pro. In addition we have shown that the LP F-box motif present at the N-terminus of P0(MA) is required for suppressor activity. Detailed mutational analyses on P0(MA) revealed that changing the conserved Trp 212 with non-ring structured amino acids altered silencing suppressor functions. Ala substitutions at positions 12 and 211 for Phe had no effect on P0 suppression-activity, whereas Arg and Glu substitutions had greatly decreased suppressor activity. Furthermore, substitutions targeting Phe at position 30 also resulted in reduced P0 suppression-activity. Altogether, these results suggest that ring structured Trp/Phe residues in P0 have important roles in suppressor activity. Copyright © 2010 Elsevier Inc. All rights reserved.

Typical intellectual engagement and cognition in old age.

PubMed

Dellenbach, Myriam; Zimprich, Daniel

2008-03-01

Typical Intellectual Engagement (TIE) comprises the preference to engage in cognitively demanding activities and has been proposed as a potential explanatory variable of individual differences in cognitive abilities. Little is known, however, about the factorial structure of TIE, its relations to socio-demographic variables, and its influence on intellectual functioning in old age. In the present study, data of 364 adults (65-81 years) from the Zurich Longitudinal Study on Cognitive Aging (ZULU) were used to investigate the factorial structure of TIE and to examine the hypothesis that TIE is associated more strongly with crystallized intelligence than with fluid intelligence in old age. A measurement model of a second order factor based on a structure of four correlated first order factors (Reading, Problem Solving, Abstract Thinking, and Intellectual Curiosity) evinced an excellent fit. After controlling for age, sex, and formal education, TIE was more strongly associated with crystallized intelligence than with fluid intelligence, comparable to results in younger persons. More detailed analyses showed that this association is mostly defined via Reading and Intellectual Curiosity.

DSC of human hair: a tool for claim support or incorrect data analysis?

PubMed

Popescu, C; Gummer, C

2016-10-01

Differential scanning calorimetry (DSC) data are increasingly used to substantiate product claims of hair repair. Decreasing peak temperatures may indicate structural changes and chemical damage. Increasing the DSC, wet peak temperature is, therefore, often considered as proof of hair repair. A detailed understanding of the technique and hair structure indicates that this may not be a sound approach. Surveying the rich literature on the use of dynamic thermal analysis (DTA) and differential scanning calorimetry (DSC) for the analyses of human hair and the effect of cosmetic treatments, we underline some of the problems of hair structure and data interpretation. To overcome some of the difficulties of data interpretation, we advise that DSC acquired data should be supported by other techniques when used for claim substantiation. In this way, one can provide meaningful interpretation of the hair science and robust data for product claims support. © 2016 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

User modeling techniques for enhanced usability of OPSMODEL operations simulation software

NASA Technical Reports Server (NTRS)

Davis, William T.

1991-01-01

The PC based OPSMODEL operations software for modeling and simulation of space station crew activities supports engineering and cost analyses and operations planning. Using top-down modeling, the level of detail required in the data base can be limited to being commensurate with the results required of any particular analysis. To perform a simulation, a resource environment consisting of locations, crew definition, equipment, and consumables is first defined. Activities to be simulated are then defined as operations and scheduled as desired. These operations are defined within a 1000 level priority structure. The simulation on OPSMODEL, then, consists of the following: user defined, user scheduled operations executing within an environment of user defined resource and priority constraints. Techniques for prioritizing operations to realistically model a representative daily scenario of on-orbit space station crew activities are discussed. The large number of priority levels allows priorities to be assigned commensurate with the detail necessary for a given simulation. Several techniques for realistic modeling of day-to-day work carryover are also addressed.

Direct simulation Monte Carlo prediction of on-orbit contaminant deposit levels for HALOE

NASA Technical Reports Server (NTRS)

Woronowicz, Michael S.; Rault, Didier F. G.

1994-01-01

A three-dimensional version of the direct simulation Monte Carlo method is adapted to assess the contamination environment surrounding a highly detailed model of the Upper Atmosphere Research Satellite. Emphasis is placed on simulating a realistic, worst-case set of flow field and surface conditions and geometric orientations for the satellite in order to estimate an upper limit for the cumulative level of volatile organic molecular deposits at the aperture of the Halogen Occultation Experiment. A detailed description of the adaptation of this solution method to the study of the satellite's environment is also presented. Results pertaining to the satellite's environment are presented regarding contaminant cloud structure, cloud composition, and statistics of simulated molecules impinging on the target surface, along with data related to code performance. Using procedures developed in standard contamination analyses, along with many worst-case assumptions, the cumulative upper-limit level of volatile organic deposits on HALOE's aperture over the instrument's 35-month nominal data collection period is estimated at about 13,350 A.

Chemical characterisation and analysis of the cell wall polysaccharides of duckweed (Lemna minor).

PubMed

Zhao, X; Moates, G K; Wellner, N; Collins, S R A; Coleman, M J; Waldron, K W

2014-10-13

Duckweed is potentially an ideal biofuel feedstock due to its high proportion of cellulose and starch and low lignin content. However, there is little detailed information on the composition and structure of duckweed cell walls relevant to optimising the conversion of duckweed biomass to ethanol and other biorefinery products. This study reports that, for the variety and batch evaluated, carbohydrates constitute 51.2% (w/w) of dry matter while starch accounts for 19.9%. This study, for the first time, analyses duckweed cell wall composition through a detailed sequential extraction. The cell wall is rich in cellulose and also contains 20.3% pectin comprising galacturonan, xylogalacturonan, rhamnogalacturonan; 3.5% hemicellulose comprising xyloglucan and xylan, and 0.03% phenolics. In addition, essential fatty acids (0.6%, α-linolenic and linoleic/linoelaidic acid) and p-coumaric acid (0.015%) respectively are the most abundant fatty acids and phenolics in whole duckweed. Copyright © 2014 Elsevier Ltd. All rights reserved.

Effect of posttranslational modifications on enzyme function and assembly.

PubMed

Ryšlavá, Helena; Doubnerová, Veronika; Kavan, Daniel; Vaněk, Ondřej

2013-10-30

The detailed examination of enzyme molecules by mass spectrometry and other techniques continues to identify hundreds of distinct PTMs. Recently, global analyses of enzymes using methods of contemporary proteomics revealed widespread distribution of PTMs on many key enzymes distributed in all cellular compartments. Critically, patterns of multiple enzymatic and nonenzymatic PTMs within a single enzyme are now functionally evaluated providing a holistic picture of a macromolecule interacting with low molecular mass compounds, some of them being substrates, enzyme regulators, or activated precursors for enzymatic and nonenzymatic PTMs. Multiple PTMs within a single enzyme molecule and their mutual interplays are critical for the regulation of catalytic activity. Full understanding of this regulation will require detailed structural investigation of enzymes, their structural analogs, and their complexes. Further, proteomics is now integrated with molecular genetics, transcriptomics, and other areas leading to systems biology strategies. These allow the functional interrogation of complex enzymatic networks in their natural environment. In the future, one might envisage the use of robust high throughput analytical techniques that will be able to detect multiple PTMs on a global scale of individual proteomes from a number of carefully selected cells and cellular compartments. This article is part of a Special Issue entitled: Posttranslational Protein modifications in biology and Medicine. Copyright © 2013 Elsevier B.V. All rights reserved.

Walking Down the Chalcogenic Group of the Periodic Table: From Singlet to Triplet Organic Emitters.

PubMed

Kremer, Adrian; Aurisicchio, Claudia; De Leo, Federica; Ventura, Barbara; Wouters, Johan; Armaroli, Nicola; Barbieri, Andrea; Bonifazi, Davide

2015-10-19

The synthesis, X-ray crystal structures, ground- and excited-state UV/Vis absorption spectra, and luminescence properties of chalcogen-doped organic emitters equipped on both extremities with benzoxa-, benzothia-, benzoselena- and benzotellurazole (1X and 2X ) moieties have been reported for the first time. The insertion of the four different chalcogen atoms within the same molecular skeleton enables the investigation of only the chalcogenic effect on the organisation and photophysical properties of the material. Detailed crystal-structure analyses provide evidence of similar packing for 2O -2Se , in which the benzoazoles are engaged in π-π stacking and, for the heavier atoms, in secondary X⋅⋅⋅X and X⋅⋅⋅N bonding interactions. Detailed computational analysis shows that the arrangement is essentially governed by the interplay of van der Waals and secondary bonding interactions. Progressive quenching of the fluorescence and concomitant onset of phosphorescence features with gradually shorter lifetimes are detected as the atomic weight of the chalcogen heteroatom increases, with the tellurium-doped derivatives exhibiting only emission from the lowest triplet excited state. Notably, the phosphorescence spectra of the selenium and tellurium derivatives can be recorded even at room temperature; this is a very rare finding for fully organic emitters. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The microbiome of a striped dolphin (Stenella coeruleoalba) stranded in Portugal.

PubMed

Godoy-Vitorino, Filipa; Rodriguez-Hilario, Arnold; Alves, Ana Luísa; Gonçalves, Filipa; Cabrera-Colon, Beatriz; Mesquita, Cristina Sousa; Soares-Castro, Pedro; Ferreira, Marisa; Marçalo, Ana; Vingada, José; Eira, Catarina; Santos, Pedro Miguel

2017-01-01

Infectious diseases with epizootic consequences have not been fully studied in marine mammals. Presently, the unprecedented depth of sequencing, made available by high-throughput approaches, allows detailed comparisons of the microbiome in health and disease. This is the first report of the striped dolphin microbiome in different body sites. Samples from one striped female edematous dolphin were acquired from a variety of body niches, including the blowhole, oral cavity, oral mucosa, tongue, stomach, intestines and genital mucosa. Detailed 16S rRNA analysis of over half a million sequences identified 235 OTUs. Beta diversity analyses indicated that microbial communities vary in structure and cluster by sample origin. Pathogenic, Gram-negative, facultative and obligate anaerobic taxa were significantly detected, including Cetobacterium, Fusobacterium and Ureaplasma. Phocoenobacter and Arcobacter dominated the oral-type samples, while Cardiobacteriaceae and Vibrio were associated with the blowhole and Photobacterium were abundant in the gut. We report for the first time the association of Epulopiscium with a marine mammal gut. The striped dolphin microbiota shows variation in structure and diversity according to the organ type. The high dominance of Gram-negative anaerobic pathogens evidences a cetacean microbiome affected by human-related bacteria. Copyright © 2016 Institut Pasteur. Published by Elsevier Masson SAS. All rights reserved.

Microspectroscopic Analysis of Anthropogenic- and Biogenic-Influenced Aerosol Particles during the SOAS Field Campaign

NASA Astrophysics Data System (ADS)

Ault, A. P.; Bondy, A. L.; Nhliziyo, M. V.; Bertman, S. B.; Pratt, K.; Shepson, P. B.

2013-12-01

During the summer, the southeastern United States experiences a cooling haze due to the interaction of anthropogenic and biogenic aerosol sources. An objective of the summer 2013 Southern Oxidant and Aerosol Study (SOAS) was to improve our understanding of how trace gases and aerosols are contributing to this relative cooling through light scattering and absorption. To improve understanding of biogenic-anthropogenic interactions through secondary organic aerosol (SOA) formation on primary aerosol cores requires detailed physicochemical characterization of the particles after uptake and processing. Our measurements focus on single particle analysis of aerosols in the accumulation mode (300-1000 nm) collected using a multi orifice uniform deposition impactor (MOUDI) at the Centreville, Alabama SEARCH site. Particles were characterized using an array of microscopic and spectroscopic techniques, including: scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDX), and Raman microspectroscopy. These analyses provide detailed information on particle size, morphology, elemental composition, and functional groups. This information is combined with mapping capabilities to explore individual particle spatial patterns and how that impacts structural characteristics. The improved understanding will be used to explore how sources and processing (such as SOA coating of soot) change particle structure (i.e. core shell) and how the altered optical properties impact air quality/climate effects on a regional scale.

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.

The STD/MHD codes - Comparison of analyses with experiments at AEDC/HPDE, Reynolds Metal Co., and Hercules, Inc. [for MHD generator flows

NASA Technical Reports Server (NTRS)

Vetter, A. A.; Maxwell, C. D.; Swean, T. F., Jr.; Demetriades, S. T.; Oliver, D. A.; Bangerter, C. D.

1981-01-01

Data from sufficiently well-instrumented, short-duration experiments at AEDC/HPDE, Reynolds Metal Co., and Hercules, Inc., are compared to analyses with multidimensional and time-dependent simulations with the STD/MHD computer codes. These analyses reveal detailed features of major transient events, severe loss mechanisms, and anomalous MHD behavior. In particular, these analyses predicted higher-than-design voltage drops, Hall voltage overshoots, and asymmetric voltage drops before the experimental data were available. The predictions obtained with these analyses are in excellent agreement with the experimental data and the failure predictions are consistent with the experiments. The design of large, high-interaction or advanced MHD experiments will require application of sophisticated, detailed and comprehensive computational procedures in order to account for the critical mechanisms which led to the observed behavior in these experiments.

Job Hazard Analyses for Musculoskeletal Disorder Risk Factors in Pressing Operations of Dry-cleaning Establishments.

PubMed

Park, Jung-Keun

2016-12-01

Job hazard analyses were conducted to assess exposure to musculoskeletal disorder (MSD) risk factors in seven workers of three dry-cleaning establishments. In accordance with the Washington State Ergonomics Rule, the analyses were performed in two separate steps: (1) observation and checklist approaches were made to identify a "caution zone job" in the seven workers' pressing operations across the three shops; and (2) detailed posture and motion analyses were undertaken to determine a "MSD hazard" in one worker's operation using a video technique. One "caution zone job" was identified and it was the pressing operation job in which five physical risk factors were found in the pressing operations. The detailed analyses confirmed that one "MSD hazard", i.e., awkward posture in shoulders, was prevalent in the pressing operations of the three dry-cleaning facilities. It would be desirable to reduce MSD risk factors including awkward shoulder posture in the dry-cleaning industry.

Chemical construction and structural permutation of neurotoxic natural product, antillatoxin: importance of the three-dimensional structure of the bulky side chain

PubMed Central

INOUE, Masayuki

2014-01-01

Antillatoxin 1 is a unique natural product that displays potent neurotoxic and neuritogenic activities through activation of voltage-gated sodium channels. The peptidic macrocycle of 1 was attached to a side chain with an exceptionally high degree of methylation. In this review, we discuss the total synthesis and biological evaluation of 1 and its analogues. First we describe an efficient synthetic route to 1. This strategy enabled the unified preparation of nine side chain analogues. Structure-activity relationship studies of these analogues revealed that subtle side chain modification leads to dramatic changes in activity, and detailed structural analyses indicated the importance of the overall size and three dimensional shape of the side chain. Based on these data, we designed and synthesized a photoresponsive analogue, proving that the activity of 1 was modulated via a photochemical reaction. The knowledge accumulated through these studies will be useful for the rational design of new tailor-made molecules to control the function and behavior of ion channels. PMID:24522155

Structural analysis of zwitterionic liquids vs. homologous ionic liquids

NASA Astrophysics Data System (ADS)

Wu, Boning; Kuroda, Kosuke; Takahashi, Kenji; Castner, Edward W.

2018-05-01

Zwitterionic liquids (Zw-ILs) have been developed that are homologous to monovalent ionic liquids (ILs) and show great promise for controlled dissolution of cellulosic biomass. Using both high energy X-ray scattering and atomistic molecular simulations, this article compares the bulk liquid structural properties for novel Zw-ILs with their homologous ILs. It is shown that the significant localization of the charges on Zw-ILs leads to charge ordering similar to that observed for conventional ionic liquids with monovalent anions and cations. A low-intensity first sharp diffraction peak in the liquid structure factor S(q) is observed for both the Zw-IL and the IL. This is unexpected since both the Zw-IL and IL have a 2-(2-methoxyethoxy)ethyl (diether) functional group on the cationic imidazolium ring and ether functional groups are known to suppress this peak. Detailed analyses show that this intermediate range order in the liquid structure arises for slightly different reasons in the Zw-IL vs. the IL. For the Zw-IL, the ether tails in the liquid are shown to aggregate into nanoscale domains.

First-principles calculations on slip system activation in the rock salt structure: electronic origin of ductility in silver chloride

NASA Astrophysics Data System (ADS)

Nakamura, Atsutomo; Ukita, Masaya; Shimoda, Naofumi; Furushima, Yuho; Toyoura, Kazuaki; Matsunaga, Katsuyuki

2017-06-01

First principles calculations were performed to understand an electronic origin of high ductility in silver chloride (AgCl) with the rock salt structure. From calculations of generalised stacking fault energies for different slip systems, it was found that only the {1 1 0}? slip system is favourably activated in sodium chloride (NaCl) with the same rock salt structure, whereas AgCl shows three kinds of possible slip systems along the ? direction on the {0 0 1}, {1 1 0}, and {1 1 1} planes, which is in excellent agreement with experiment. Detailed analyses of the electronic structures across slip planes showed that the more covalent character of bonding of Ag-Cl than Na-Cl tends to make the slip motion energetically favourable. It was also surprising to find out that strong Ag-Ag covalent bonds across the slip plane are formed in the {0 0 1}〈1 1 0〉 slip system in AgCl, which makes it possible to activate the multiple slip systems in AgCl.

Dynamic and Fatigue Analysis of an 18{sup th} Century Steel Arch Bridge

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

Boumechra, Nadir; Hamdaoui, Karim

2008-07-08

Within the 'Oran-Tlemcen' railway line realization project (159 km), several bridges were built by the Railroads Algerian West Company. 7 km from the east of Tlemcen city, this railway line must cross a very broken mountainous collar, that's why the French engineer 'Gustave Eiffel' was solicited to construct a 68 m length bridge. In 1890, an arch steel truss bridge was realized. The bridge presents 300 m of apron curvature radius and, currently, is considered as one of the most important monuments of the Algerian historical heritage. Considering the age of the bridge and the evolution of the railway loadsmore » in time, it was essential to check the good behavior of the studied structure. For that, analyses to verify the physical and mechanical properties of the growth iron members are made. A finite element model of the bridge was built and numerical simulations were drawn. The structural vibration conducted analysis permit to understand the behavior of this particular structure, then to evaluate (in detail) the rate of the structure fatigue.« less

Periodicity in Attachment Organelle Revealed by Electron Cryotomography Suggests Conformational Changes in Gliding Mechanism of Mycoplasma pneumoniae

PubMed Central

Kawamoto, Akihiro; Matsuo, Lisa; Kato, Takayuki; Yamamoto, Hiroki

2016-01-01

ABSTRACT Mycoplasma pneumoniae, a pathogenic bacterium, glides on host surfaces using a unique mechanism. It forms an attachment organelle at a cell pole as a protrusion comprised of knoblike surface structures and an internal core. Here, we analyzed the three-dimensional structure of the organelle in detail by electron cryotomography. On the surface, knoblike particles formed a two-dimensional array, albeit with limited regularity. Analyses using a nonbinding mutant and an antibody showed that the knoblike particles correspond to a naplike structure that has been observed by negative-staining electron microscopy and is likely to be formed as a complex of P1 adhesin, the key protein for binding and gliding. The paired thin and thick plates feature a rigid hexagonal lattice and striations with highly variable repeat distances, respectively. The combination of variable and invariant structures in the internal core and the P1 adhesin array on the surface suggest a model in which axial extension and compression of the thick plate along a rigid thin plate is coupled with attachment to and detachment from the substrate during gliding. PMID:27073090

Investigation of structural heterogeneity at the SPE site using combined P–wave travel times and Rg phase velocities

DOE PAGES

Rowe, Charlotte A.; Patton, Howard J.

2015-10-01

Here, we present analyses of the 2D seismic structure beneath Source Physics Experiments (SPE) geophone lines that extended radially at 100 m spacing from 100 to 2000 m from the source borehole. With seismic sources at only one end of the geophone lines, standard refraction profiling methods cannot resolve seismic velocity structures unambiguously. In previous work, we demonstrated overall agreement between body-wave refraction modeling and Rg dispersion curves for the least complex of the five lines. A more detailed inspection supports a 2D reinterpretation of the structure. We obtained Rg phase velocity measurements in both the time and frequency domains,more » then used iterative adjustment of the initial 1D body-wave model to predict Rg dispersion curves to fit the observed values. Our method applied to the most topographically severe of the geophone lines is supplemented with a 2D ray-tracing approach, whose application to P-wave arrivals supports the Rg analysis. In addition, midline sources will allow us to refine our characterization in future work.« less

Brain Genomics Superstruct Project initial data release with structural, functional, and behavioral measures

PubMed Central

Holmes, Avram J.; Hollinshead, Marisa O.; O’Keefe, Timothy M.; Petrov, Victor I.; Fariello, Gabriele R.; Wald, Lawrence L.; Fischl, Bruce; Rosen, Bruce R.; Mair, Ross W.; Roffman, Joshua L.; Smoller, Jordan W.; Buckner, Randy L.

2015-01-01

The goal of the Brain Genomics Superstruct Project (GSP) is to enable large-scale exploration of the links between brain function, behavior, and ultimately genetic variation. To provide the broader scientific community data to probe these associations, a repository of structural and functional magnetic resonance imaging (MRI) scans linked to genetic information was constructed from a sample of healthy individuals. The initial release, detailed in the present manuscript, encompasses quality screened cross-sectional data from 1,570 participants ages 18 to 35 years who were scanned with MRI and completed demographic and health questionnaires. Personality and cognitive measures were obtained on a subset of participants. Each dataset contains a T1-weighted structural MRI scan and either one (n=1,570) or two (n=1,139) resting state functional MRI scans. Test-retest reliability datasets are included from 69 participants scanned within six months of their initial visit. For the majority of participants self-report behavioral and cognitive measures are included (n=926 and n=892 respectively). Analyses of data quality, structure, function, personality, and cognition are presented to demonstrate the dataset’s utility. PMID:26175908

Brain Genomics Superstruct Project initial data release with structural, functional, and behavioral measures.

PubMed

Holmes, Avram J; Hollinshead, Marisa O; O'Keefe, Timothy M; Petrov, Victor I; Fariello, Gabriele R; Wald, Lawrence L; Fischl, Bruce; Rosen, Bruce R; Mair, Ross W; Roffman, Joshua L; Smoller, Jordan W; Buckner, Randy L

2015-01-01

The goal of the Brain Genomics Superstruct Project (GSP) is to enable large-scale exploration of the links between brain function, behavior, and ultimately genetic variation. To provide the broader scientific community data to probe these associations, a repository of structural and functional magnetic resonance imaging (MRI) scans linked to genetic information was constructed from a sample of healthy individuals. The initial release, detailed in the present manuscript, encompasses quality screened cross-sectional data from 1,570 participants ages 18 to 35 years who were scanned with MRI and completed demographic and health questionnaires. Personality and cognitive measures were obtained on a subset of participants. Each dataset contains a T1-weighted structural MRI scan and either one (n=1,570) or two (n=1,139) resting state functional MRI scans. Test-retest reliability datasets are included from 69 participants scanned within six months of their initial visit. For the majority of participants self-report behavioral and cognitive measures are included (n=926 and n=892 respectively). Analyses of data quality, structure, function, personality, and cognition are presented to demonstrate the dataset's utility.

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

Orfield, Noah J.; McBride, James R.; Wang, Feng

Physical variations in colloidal nanostructures give rise to heterogeneity in expressed optical behavior. This correlation between nanoscale structure and function demands interrogation of both atomic structure and photophysics at the level of single nanostructures to be fully understood. In this paper, by conducting detailed analyses of fine atomic structure, chemical composition, and time-resolved single-photon photoluminescence data for the same individual nanocrystals, we reveal inhomogeneity in the quantum yields of single nonblinking “giant” CdSe/CdS core/shell quantum dots (g-QDs). We find that each g-QD possesses distinctive single exciton and biexciton quantum yields that result mainly from variations in the degree of charging,more » rather than from volume or structure inhomogeneity. We further establish that there is a very limited nonemissive “dark” fraction (<2%) among the studied g-QDs and present direct evidence that the g-QD core must lack inorganic passivation for the g-QD to be “dark”. Finally and therefore, in contrast to conventional QDs, ensemble photoluminescence quantum yield is principally defined by charging processes rather than the existence of dark g-QDs.« less

Ebola virus host cell entry.

PubMed

Sakurai, Yasuteru

2015-01-01

Ebola virus is an enveloped virus with filamentous structure and causes a severe hemorrhagic fever in human and nonhuman primates. Host cell entry is the first essential step in the viral life cycle, which has been extensively studied as one of the therapeutic targets. A virus factor of cell entry is a surface glycoprotein (GP), which is an only essential viral protein in the step, as well as the unique particle structure. The virus also interacts with a lot of host factors to successfully enter host cells. Ebola virus at first binds to cell surface proteins and internalizes into cells, followed by trafficking through endosomal vesicles to intracellular acidic compartments. There, host proteases process GPs, which can interact with an intracellular receptor. Then, under an appropriate circumstance, viral and endosomal membranes are fused, which is enhanced by major structural changes of GPs, to complete host cell entry. Recently the basic research of Ebola virus infection mechanism has markedly progressed, largely contributed by identification of host factors and detailed structural analyses of GPs. This article highlights the mechanism of Ebola virus host cell entry, including recent findings.

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

Kondo, Shinichiro

The format of this dissertation is as follows. In the remainder of Chapter 1, brief introductions and reviews are given to the topics of frustration, heavy fermions and spinels including the precedent work of LiV 2O 4. In Chapter 2, as a general overview of this work the important publication in Physical Review Letters by the author of this dissertation and collaborators regarding the discovery of the heavy fermion behavior in LiV 2O 4 is introduced [removed for separate processing]. The preparation methods employed by the author for nine LiV 2O 4 and two Li 1+xTi 2-xO 4 (x =more » 0 and 1/3) polycrystalline samples are introduced in Chapter 3. The subsequent structural characterization of the LiV 2O 4 and Li 1+xT 2-xO 4 samples was done by the author using thermogravimetric analysis (TGA), x-ray diffraction measurements and their structural refinements by the Rietveld analysis. The results of the characterization are detailed in Chapter 3. In Chapter 4 magnetization measurements carried out by the author are detailed. In Chapter 5, after briefly discussing the resistivity measurement results including the single-crystal work by Rogers et al., for the purpose of clear characterization of LiV 2O 4 it is of great importance to introduce in the following chapters the experiments and subsequent data analyses done by his collaborators. Heat capacity measurements (Chapter 6) were carried out and analyzed by Dr. C.A. Swenson, and modeled theoretically by Dr. D.C. Johnston. In Chapter 7 a thermal expansion study using neutron diffraction by Dr. O. Chmaissem et al. and capacitance dilatometry measurements by Dr. C.A. Swenson are introduced. The data analyses for the thermal expansion study were mainly done by Dr. O. Chmaissem (for neutron diffraction) and Dr. C.A. Swendon (for dilatometry), with assistances by Dr. J.D. Jorgensen, Dr. D.C. Johnston, and S. Kondo the author of this dissertation. Chapter 8 describes nuclear magnetic resonance (NMR) measurements and analyses by Dr. A.V. Mahajan, R. Sala, E. Lee and Dr. F. Borsa. In the final chapter, a summary and discussion are given.« less

Transcriptomic analysis of Arabidopsis developing stems: a close-up on cell wall genes

PubMed Central

Minic, Zoran; Jamet, Elisabeth; San-Clemente, Hélène; Pelletier, Sandra; Renou, Jean-Pierre; Rihouey, Christophe; Okinyo, Denis PO; Proux, Caroline; Lerouge, Patrice; Jouanin, Lise

2009-01-01

Background Different strategies (genetics, biochemistry, and proteomics) can be used to study proteins involved in cell biogenesis. The availability of the complete sequences of several plant genomes allowed the development of transcriptomic studies. Although the expression patterns of some Arabidopsis thaliana genes involved in cell wall biogenesis were identified at different physiological stages, detailed microarray analysis of plant cell wall genes has not been performed on any plant tissues. Using transcriptomic and bioinformatic tools, we studied the regulation of cell wall genes in Arabidopsis stems, i.e. genes encoding proteins involved in cell wall biogenesis and genes encoding secreted proteins. Results Transcriptomic analyses of stems were performed at three different developmental stages, i.e., young stems, intermediate stage, and mature stems. Many genes involved in the synthesis of cell wall components such as polysaccharides and monolignols were identified. A total of 345 genes encoding predicted secreted proteins with moderate or high level of transcripts were analyzed in details. The encoded proteins were distributed into 8 classes, based on the presence of predicted functional domains. Proteins acting on carbohydrates and proteins of unknown function constituted the two most abundant classes. Other proteins were proteases, oxido-reductases, proteins with interacting domains, proteins involved in signalling, and structural proteins. Particularly high levels of expression were established for genes encoding pectin methylesterases, germin-like proteins, arabinogalactan proteins, fasciclin-like arabinogalactan proteins, and structural proteins. Finally, the results of this transcriptomic analyses were compared with those obtained through a cell wall proteomic analysis from the same material. Only a small proportion of genes identified by previous proteomic analyses were identified by transcriptomics. Conversely, only a few proteins encoded by genes having moderate or high level of transcripts were identified by proteomics. Conclusion Analysis of the genes predicted to encode cell wall proteins revealed that about 345 genes had moderate or high levels of transcripts. Among them, we identified many new genes possibly involved in cell wall biogenesis. The discrepancies observed between results of this transcriptomic study and a previous proteomic study on the same material revealed post-transcriptional mechanisms of regulation of expression of genes encoding cell wall proteins. PMID:19149885

Using Toulmin analysis to analyse an instructor's proof presentation in abstract algebra

NASA Astrophysics Data System (ADS)

Fukawa-connelly, Timothy

2014-01-01

This paper provides a method for analysing undergraduate teaching of proof-based courses using Toulmin's model (1969) of argumentation. It presents a case study of one instructor's presentation of proofs. The analysis shows that the instructor presents different levels of detail in different proofs; thus, the students have an inconsistent set of written models for their work. Similarly, the analysis shows that the details the instructor says aloud differ from what she writes down. Although her verbal commentary provides additional detail and appears to have pedagogical value, for instance, by modelling thinking that supports proof writing, this value might be better realized if she were to change her teaching practices.

Oxidation/reduction studies on Zr yU 1-yO 2+x and delineation of a new orthorhombic phase in U-Zr-O system

NASA Astrophysics Data System (ADS)

Sali, S. K.; Kulkarni, N. K.; Krishnan, K.; Achary, S. N.; Tyagi, A. K.

2008-08-01

In this communication, we report the oxidation and reduction behavior of fluorite type solid solutions in U-Zr-O. The maximum solubility of ZrO 2 in UO 2 lattice could be achieved with a mild oxidizing followed by reducing conditions. The role of valency state of U is more dominating in controlling the unit cell parameters than the incorporated interstitial oxygen in the fluorite lattice. The controlled oxidation studies on U-Zr-O solid solutions led to the delineation of a new distorted fluorite lattice at the U:Zr=2:1 composition. The detailed crystal structure analysis of this ordered composition Zr 0.33U 0.67O 2.33 (ZrU 2O 7) has been carried from the powder XRD data. This phase crystallizes in an orthorhombically distorted fluorite type lattice with unit cell parameters: a=5.1678(2), b=5.4848(2), c=5.5557(2) Å and V=157.47(1) Å 3 (Space group: Cmcm, No. 63). The metal ions have distorted cubical polyhedra with anion similar to the fluorite structure. The excess anions are occupied in the interstitial (empty cubes) of the fluorite unit cell. The crystal structure and chemical analyses suggest approximately equal fractions of U 4+ and U 6+ in this compound. The details of the thermal stability as well as kinetics of formation and oxidation of ZrU 2O 7 are also studied using thermogravimetry.

Histological, chemical, and morphological reexamination of the ``heart'' of a small Late Cretaceous Thescelosaurus

NASA Astrophysics Data System (ADS)

Cleland, Timothy P.; Stoskopf, Michael K.; Schweitzer, Mary H.

2011-03-01

A three-dimensional, iron-cemented structure found in the anterior thoracic cavity of articulated Thescelosaurus skeletal remains was hypothesized to be the fossilized remains of the animal's four-chambered heart. This was important because the finding could be interpreted to support a hypothesis that non-avian dinosaurs were endothermic. Mammals and birds, the only extant organisms with four-chambered hearts and single aortae, are endotherms. The hypothesis that this Thescelosaurus has a preserved heart was controversial, and therefore, we reexamined it using higher-resolution computed tomography, paleohistological examination, X-ray diffraction analysis, X-ray photoelectron spectroscopy, and scanning electron microscopy. This suite of analyses allows for detailed morphological and chemical examination beyond what was provided in the original work. Neither the more detailed examination of the gross morphology and orientation of the thoracic "heart" nor the microstructural studies supported the hypothesis that the structure was a heart. The more advanced computed tomography showed the same three areas of low density as the earlier studies with no evidence of additional low-density areas as might be expected from examinations of an ex situ ostrich heart. Microstructural examination of a fragment taken from the "heart" was consistent with cemented sand grains, and no chemical signal consistent with a biological origin was detected. However, small patches of cell-like microstructures were preserved in the sandstone matrix of the thoracic structure. A possible biological origin for these microstructures is the focus of ongoing investigation.

Immunological Approaches to Biomass Characterization and Utilization

PubMed Central

Pattathil, Sivakumar; Avci, Utku; Zhang, Tiantian; Cardenas, Claudia L.; Hahn, Michael G.

2015-01-01

Plant biomass is the major renewable feedstock resource for sustainable generation of alternative transportation fuels to replace fossil carbon-derived fuels. Lignocellulosic cell walls are the principal component of plant biomass. Hence, a detailed understanding of plant cell wall structure and biosynthesis is an important aspect of bioenergy research. Cell walls are dynamic in their composition and structure, varying considerably among different organs, cells, and developmental stages of plants. Hence, tools are needed that are highly efficient and broadly applicable at various levels of plant biomass-based bioenergy research. The use of plant cell wall glycan-directed probes has seen increasing use over the past decade as an excellent approach for the detailed characterization of cell walls. Large collections of such probes directed against most major cell wall glycans are currently available worldwide. The largest and most diverse set of such probes consists of cell wall glycan-directed monoclonal antibodies (McAbs). These McAbs can be used as immunological probes to comprehensively monitor the overall presence, extractability, and distribution patterns among cell types of most major cell wall glycan epitopes using two mutually complementary immunological approaches, glycome profiling (an in vitro platform) and immunolocalization (an in situ platform). Significant progress has been made recently in the overall understanding of plant biomass structure, composition, and modifications with the application of these immunological approaches. This review focuses on such advances made in plant biomass analyses across diverse areas of bioenergy research. PMID:26579515

Structure and mechanical implications of the pectoral fin skeleton in the Longnose Skate (Chondrichthyes, Batoidea).

PubMed

Huang, Wei; Hongjamrassilp, Watcharapong; Jung, Jae-Young; Hastings, Philip A; Lubarda, Vlado A; McKittrick, Joanna

2017-03-15

Animal propulsion systems are believed to show high energy and mechanical efficiency in assisting movement compared to artificial designs. As an example, batoid fishes have very light cartilaginous skeletons that facilitate their elegant swimming via enlarged wing-like pectoral fins. The aim of this work is to illustrate the hierarchical structure of the pectoral fin of a representative batoid, the Longnose Skate (Raja rhina), and explain the mechanical implications of its structural design. At the macro level, the pectoral fins are comprised of radially oriented fin rays, formed by staggered mineralized skeletal elements stacked end-to-end. At the micro level, the midsection of each radial element is composed of three mineralized components, which consist of discrete segments (tesserae) that are mineralized cartilage and embedded in unmineralized cartilage. The radial elements are wrapped with aligned, unmineralized collagen fibers. This is the first report of the detailed structure of the ray elements, including the observation of a 3-chain mineralized tesserae. Structural analyses demonstrate that this configuration enhances stiffness in multiple directions. A two-dimensional numerical model based on the morphological analysis demonstrated that the tessera structure helps distributing shear, tensile and compressive stress more ideally, which can better support both lift and thrust forces when swimming without losing flexibility. Batoid fishes have very light cartilaginous skeletons that facilitate their elegant swimming by applying their enlarged wing-like pectoral fins. Previous studies have shown structural features and mechanical properties of the mineralized cartilage skeleton in various batoid fishes. However, the details of the pectoral fin structure at different length scales, as well as the relationship between the mechanical properties and structural design remains unknown. The present work illustrates the hierarchical structure of the pectoral fin of the Longnose Skate (a representative batoid fish) and verifies the materials configuration and structural design increases the stiffness of fin skeleton without a loss in flexibility. These results have implications for the design of strong but flexible materials and bio-inspired autonomous underwater vehicles (AUVs). Copyright © 2017 Acta Materialia Inc. All rights reserved.

Magnetic field and radiative transfer modelling of a quiescent prominence

NASA Astrophysics Data System (ADS)

Gunár, S.; Schwartz, P.; Dudík, J.; Schmieder, B.; Heinzel, P.; Jurčák, J.

2014-07-01

Aims: The aim of this work is to analyse the multi-instrument observations of the June 22, 2010 prominence to study its structure in detail, including the prominence-corona transition region and the dark bubble located below the prominence body. Methods: We combined results of the 3D magnetic field modelling with 2D prominence fine structure radiative transfer models to fully exploit the available observations. Results: The 3D linear force-free field model with the unsheared bipole reproduces the morphology of the analysed prominence reasonably well, thus providing useful information about its magnetic field configuration and the location of the magnetic dips. The 2D models of the prominence fine structures provide a good representation of the local plasma configuration in the region dominated by the quasi-vertical threads. However, the low observed Lyman-α central intensities and the morphology of the analysed prominence suggest that its upper central part is not directly illuminated from the solar surface. Conclusions: This multi-disciplinary prominence study allows us to argue that a large part of the prominence-corona transition region plasma can be located inside the magnetic dips in small-scale features that surround the cool prominence material located in the dip centre. We also argue that the dark prominence bubbles can be formed because of perturbations of the prominence magnetic field by parasitic bipoles, causing them to be devoid of the magnetic dips. Magnetic dips, however, form thin layers that surround these bubbles, which might explain the occurrence of the cool prominence material in the lines of sight intersecting the prominence bubbles. Movie and Appendix A are available in electronic form at http://www.aanda.org

Evaluating the roles of detailed endocardial structures on right ventricular haemodynamics by means of CFD simulations.

PubMed

Sacco, Federica; Paun, Bruno; Lehmkuhl, Oriol; Iles, Tinen L; Iaizzo, Paul A; Houzeaux, Guillaume; Vázquez, Mariano; Butakoff, Constantine; Aguado-Sierra, Jazmin

2018-06-11

Computational modelling plays an important role in right ventricular (RV) haemodynamic analysis. However, current approaches employ smoothed ventricular anatomies. The aim of this study is to characterise RV haemodynamics including detailed endocardial structures like trabeculae, moderator band and papillary muscles (PMs). Four paired detailed and smoothed RV endocardium models (two male and two female) were reconstructed from ex-vivo human hearts high-resolution magnetic resonance images (MRI). Detailed models include structures with ≥1 mm 2 cross-sectional area. Haemodynamic characterisation was done by computational fluid dynamics (CFD) simulations with steady and transient inflows, using high performance computing (HPC). The differences between the flows in smoothed and detailed models were assessed using Q-criterion for vorticity quantification, the pressure drop between inlet and outlet, and the wall shear stress (WSS). Results demonstrated that detailed endocardial structures increase the degree of intra-ventricular pressure drop, decrease the WSS and disrupt the dominant vortex creating secondary small vortices. Increasingly turbulent blood flow was observed in the detailed RVs. Female RVs were less trabeculated and presented lower pressure drops than the males. In conclusion, neglecting endocardial structures in RV haemodynamic models may lead to inaccurate conclusions about the pressures, stresses, and blood flow behaviour in the cavity. This article is protected by copyright. All rights reserved.

Structure family and polymorphous phase transition in the compounds with soft sublattice: Cu{sub 2}Se as an example

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

Qiu, Wujie; State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050; Lu, Ping

Quite a few interesting but controversial phenomena, such as simple chemical composition but complex structures, well-defined high-temperature cubic structure but intriguing phase transition, coexist in Cu{sub 2}Se, originating from the relatively rigid Se framework and “soft” Cu sublattice. However, the electrical transport properties are almost uninfluenced by such complex substructures, which make Cu{sub 2}Se a promising high-performance thermoelectric compound with extremely low thermal conductivity and good power factor. Our work reveals that the crystal structure of Cu{sub 2}Se at the temperature below the phase-transition point (∼400 K) should have a group of candidate structures that all contain a Se-dominated face-centered-cubic-likemore » layered framework but nearly random site occupancy of atoms from the “soft” Cu sublattice. The energy differences among those structures are very low, implying the coexistence of various structures and thus an intrinsic structure complexity with a Se-based framework. Detailed analyses indicate that observed structures should be a random stacking of those representative structure units. The transition energy barriers between each two of those structures are estimated to be zero, leading to a polymorphous phase transition of Cu{sub 2}Se at increasing temperature. Those are all consistent with experimental observations.« less

INTERIOR; DETAIL OF ROOF FRAMING STRUCTURE, LOOKING SOUTHWEST. Naval ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

INTERIOR; DETAIL OF ROOF FRAMING STRUCTURE, LOOKING SOUTHWEST. - Naval Computer & Telecommunications Area Master Station, Eastern Pacific, Radio Transmitter Facility Lualualei, Helix House No. 2, Base of Radio Antenna Structure No. 427, Makaha, Honolulu County, HI

Crustal and Upper Mantle Structure Beneath the Canary Islands From Teleseismic Receiver Functions.

NASA Astrophysics Data System (ADS)

Lodge, A.; Nippress, S. E.; Rietbrock, A.

2007-12-01

The Canary Islands are situated in the North Atlantic Ocean, <200km west of Morocco, Africa. The islands are volcanic ocean islands, associated with the classic hot spot characteristic combination of bathymetric, gravity and geoid anomalies. However, unlike the classic hot spot location of Hawaii, the archipelago is located on a slow moving plate, showing more similarities to the Cape Verde Islands, but unlike both Hawaii and Cape Verde, the Canary Islands are close to the continental shelf. The aims of this work are to provide seismic constraints on the structure beneath the Canary Islands to determine whether this structure indicates a clear age progression across the archipelago as observed at Cape Verde and to determine whether deeper structure may illuminate the source of the hot spot features. To take a transect through the Canary Islands using receiver function analysis, we re-analysed broadband data from the MIDSEA project station (available through IRIS), CDLV on Lanzarote (1999-2001), but apply the multiple- taper spectral correlation estimate for receiver function calculation. We also analysed broadband data from the IRIS Network station of TBT from La Palma (1993-1996). Additionally we also use data from a short period seismic network consisting of 150 short period stations installed for 2 weeks as part of the TOM-TEIDEVS project on the island of Tenerife. Only 1 teleseismic event suitable for receiver function analysis was recorded during this period. Initially an average of all events was to be used for modelling, but significant differences in receiver function shape between different areas of the island, suggested separate stacks for different regions was more appropriate. Initial forward modelling for the average azimuthal stack for CDLV, supports earlier receiver function work that indicates a crust thickened up to ~20km depth, but no evidence of a continental like structure. The average azimuthal stack for TBT shows few details, but when events are grouped by back azimuth and stacked, significant differences in shape are observed. Comparison of the tangential components for different back azimuths, suggests the existence of dipping and/or anisotropic layers. Forward modelling for a stack of data from the caldera in Tenerife, indicates no crustal thickening. This suggests a relationship between crustal thickening and age across the archipelago. Further analysis and application of grid search methods will reveal the structure beneath each of the islands in more detail and indicate whether a thermal or a compositional origin is more appropriate for the islands.

Probabilistic wind/tornado/missile analyses for hazard and fragility evaluations

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

Park, Y.J.; Reich, M.

Detailed analysis procedures and examples are presented for the probabilistic evaluation of hazard and fragility against high wind, tornado, and tornado-generated missiles. In the tornado hazard analysis, existing risk models are modified to incorporate various uncertainties including modeling errors. A significant feature of this paper is the detailed description of the Monte-Carlo simulation analyses of tornado-generated missiles. A simulation procedure, which includes the wind field modeling, missile injection, solution of flight equations, and missile impact analysis, is described with application examples.

Application of Chemometric Methods to Devolve Co-Eluting Peaks in GC-MS of Fuels to Improve Compound Identification: Final Report

DTIC Science & Technology

2018-02-12

Unclassified Unlimited 49 Jeffrey Cramer (202) 404-3419 Fuel stability and performance problems are often due to the presence of trace levels of contaminants or...other minor changes in composition. Detailed compositional analyses of suspect fuels are often critical to the determination of the cause(s) of the...problem(s) at hand. Sensitive methods to compare fuel compositions via GC-MS methods are available, but the detailed compositional analyses of

Seismic response of Pacific Park Plaza. I. Data and preliminary analysis

USGS Publications Warehouse

Celebi, M.; Safak, E.

1992-01-01

The objective of this paper is to present analyses of a set of acceleration response records obtained during the October 17, 1989 Loma Prieta earthquake (Ms = 7.1) from the 30-story, three-winged, ductile moment-resistant reinforced-concrete-framed Pacific Park Plaza Building, located in Emeryville, east of San Francisco, Calif. The building was constructed in 1983, and instrumented in 1985 with 21 channels of synchronized uniaxial accelerometers deployed throughout the structure, and three channels of accelerometers located at free-field outside on the north side of the building, all connected to a central recording system. In addition, a triaxial strong-motion accelerograph is deployed at free-field on the south side of the building. The predominant response modes of the building and the associated frequencies at approximately 0.4 Hz and 1.0 Hz are identified visually from the unprocessed records, and also from Fourier amplitude spectra of the processed records, which, as expected, reveal significant torsional motion. In addition, the response spectra of the free-field and basement motions are very similar. These spectra show that significant structural resonances at higher modes influence both the ground level and the free-field motions, thus rising the question as to the definition of free-field motion, at least at this site. This part of the paper includes the preliminary analyses of the data acquired from this building. Part 2 of the paper provides detailed analyses of the data using system identification techniques.

ns2np4 (n = 4, 5) lone pair triplets whirling in M*F2E3 (M* = Kr, Xe): Stereochemistry and ab initio analyses

NASA Astrophysics Data System (ADS)

Galy, Jean; Matar, Samir F.

2017-02-01

The stereochemistry of ns2np4 (n = 4, 5) lone pair LP characterizing noble gas Kr and Xe (labeled M*) in M*F2 difluorides is examined within coherent crystal chemistry and ab initio visualizations. M*2+ in such oxidation state brings three lone pairs (E) and difluorides are formulated M*F2E3. The analyses use electron localization function (ELF) obtained within density functional theory calculations showing the development of the LP triplets whirling {E3} quantified in the relevant chemical systems. Detailed ELF data analyses allowed showing that in α KrF2E3 and isostructural XeF2E3 difluorides the three E electronic clouds merge or hybridize into a torus and adopt a perfect gyration circle with an elliptical section, while in β KrF2 the network architecture deforms the whole torus into an ellipsoid shape. Original precise metrics are provided for the torus in the different compounds under study. In KrF2 the geometric changes upon β → α phase transition is schematized and mechanisms for the transformation with temperature or pressure are proposed. The results are further highlighted by electronic band structure calculations which show similar features of equal band gaps of 3 eV in both α and β KrF2 and a reorganization of frontier orbitals due to the different orientations of the F-Kr-F linear molecule in the two tetragonal structures.

High resolution urban morphology data for urban wind flow modeling

NASA Astrophysics Data System (ADS)

Cionco, Ronald M.; Ellefsen, Richard

The application of urban forestry methods and technologies to a number of practical problems can be further enhanced by the use and incorporation of localized, high resolution wind and temperature fields into their analysis methods. The numerical simulation of these micrometeorological fields will represent the interactions and influences of urban structures, vegetation elements, and variable terrain as an integral part of the dynamics of an urban domain. Detailed information of the natural and man-made components that make up the urban area is needed to more realistically model meteorological fields in urban domains. Simulating high resolution wind and temperatures over and through an urban domain utilizing detailed morphology data can also define and quantify local areas where urban forestry applications can contribute to better solutions. Applications such as the benefits of planting trees for shade purposes can be considered, planned, and evaluated for their impact on conserving energy and cooling costs as well as the possible reconfiguration or removal of trees and other barriers for improved airflow ventilation and similar processes. To generate these fields, a wind model must be provided, as a minimum, the location, type, height, structural silhouette, and surface roughness of these components, in order to account for the presence and effects of these land morphology features upon the ambient airflow. The morphology of Sacramento, CA has been characterized and quantified in considerable detail primarily for wind flow modeling, simulation, and analyses, but can also be used for improved meteorological analyses, urban forestry, urban planning, and other urban related activities. Morphology methods previously developed by Ellefsen are applied to the Sacramento scenario with a high resolution grid of 100 m × 100 m. The Urban Morphology Scheme defines Urban Terrain Zones (UTZ) according to how buildings and other urban elements are structured and placed with respect to each other. The urban elements within the 100 m × 100 m cells (one hectare) are further described and digitized as building height, building footprint (in percent), reflectivity of its roof, pitched roof or flat, building's long axis orientation, footprint of impervious surface and its reflectivity, footprint of canopy elements, footprint of woodlots, footprint of grass area, and footprint of water surface. A variety of maps, satellite images, low level aerial photographs, and street level photographs are the raw data used to quantify these urban properties. The final digitized morphology database resides in a spreadsheet ready for use on ordinary personal computers.

Two alternative ways of start site selection in human norovirus reinitiation of translation.

PubMed

Luttermann, Christine; Meyers, Gregor

2014-04-25

The calicivirus minor capsid protein VP2 is expressed via termination/reinitiation. This process depends on an upstream sequence element denoted termination upstream ribosomal binding site (TURBS). We have shown for feline calicivirus and rabbit hemorrhagic disease virus that the TURBS contains three sequence motifs essential for reinitiation. Motif 1 is conserved among caliciviruses and is complementary to a sequence in the 18 S rRNA leading to the model that hybridization between motif 1 and 18 S rRNA tethers the post-termination ribosome to the mRNA. Motif 2 and motif 2* are proposed to establish a secondary structure positioning the ribosome relative to the start site of the terminal ORF. Here, we analyzed human norovirus (huNV) sequences for the presence and importance of these motifs. The three motifs were identified by sequence analyses in the region upstream of the VP2 start site, and we showed that these motifs are essential for reinitiation of huNV VP2 translation. More detailed analyses revealed that the site of reinitiation is not fixed to a single codon and does not need to be an AUG, even though this codon is clearly preferred. Interestingly, we were able to show that reinitiation can occur at AUG codons downstream of the canonical start/stop site in huNV and feline calicivirus but not in rabbit hemorrhagic disease virus. Although reinitiation at the original start site is independent of the Kozak context, downstream initiation exhibits requirements for start site sequence context known for linear scanning. These analyses on start codon recognition give a more detailed insight into this fascinating mechanism of gene expression.

Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye

NASA Astrophysics Data System (ADS)

El-Mansy, M. A. M.

2017-08-01

Structural and vibrational spectroscopic studies were performed on indigo carmine (IC) isomers using FT-IR spectral analysis along with DFT/B3LYP method utilizing Gaussian 09 software. GaussView 5 program has been employed to perform a detailed interpretation of vibrational spectra. Simulation of infrared spectra has led to an excellent overall agreement with the observed spectral patterns. Mulliken population analyses on atomic charges, MEP, HOMO-LUMO, NLO, first order hyperpolarizability and thermodynamic properties have been examined by (DFT/B3LYP) method with the SDD basis set level. Density of state spectra (DOS) were calculated using GaussSum 3 at the same level of theory. Molecular modeling approved that DOS Spectra are the most significant tools for differentiating between two IC isomers so far. Moreover, The IC isomers (cis-isomer) have shown an extended applicability for manufacturing both NLO and photovoltaic devices such as solar cells.

Characteristic analysis of surface waves in a sensitive plasma absorption probe

NASA Astrophysics Data System (ADS)

You, Wei; Li, Hong; Tan, Mingsheng; Liu, Wandong

2018-01-01

With features that are simple to construct and a symmetric configuration, the sensitive plasma absorption probe (SPAP) is a dependable probe for industry plasma diagnosis. The minimum peak in the characteristic curve of the coefficient of reflection stems from the surface wave resonance in plasma. We use numerical simulation methods to analyse the details of the excitation and propagation of these surface waves. With this method, the electromagnetic field structure and the resonance and propagation characteristics of the surface wave were analyzed simultaneously using the simulation method. For this SPAP structure, there are three different propagation paths for the propagating plasma surface wave. The propagation characteristic of the surface wave along each path is presented. Its dispersion relation is also calculated. The objective is to complete the relevant theory of the SPAP as well as the propagation process of the plasma surface wave.

Observations of the structure and evolution of solar flares with a soft X-ray telescope

NASA Technical Reports Server (NTRS)

Vorpahl, J. A.; Gibson, E. G.; Landecker, P. B.; Mckenzie, D. L.; Underwood, J. M.

1975-01-01

Soft X ray flare events were observed with the S-056 X-ray telescope that was part of the ATM complement of instruments aboard SKYLAB. Analyses of these data are reported. The observations are summarized and a detailed discussion of the X-ray flare structures is presented. The data indicated that soft X-ray emitted by a flare come primarily from an intense well-defined core surrounded by a region of fainter, more diffuse emission. An analysis of flare evolution indicates evidence for preliminary heating and energy release prior to the main phase of the flare. Core features are found to be remarkably stable and retain their shape throughout a flare. Most changes in the overall configuration seem to be result of the appearance, disappearance or change in brightness of individual features, rather than the restructuring or reorientation of these features. Brief comparisons with several theories are presented.

The analysis of composite laminated beams using a 2D interpolating meshless technique

NASA Astrophysics Data System (ADS)

Sadek, S. H. M.; Belinha, J.; Parente, M. P. L.; Natal Jorge, R. M.; de Sá, J. M. A. César; Ferreira, A. J. M.

2018-02-01

Laminated composite materials are widely implemented in several engineering constructions. For its relative light weight, these materials are suitable for aerospace, military, marine, and automotive structural applications. To obtain safe and economical structures, the modelling analysis accuracy is highly relevant. Since meshless methods in the recent years achieved a remarkable progress in computational mechanics, the present work uses one of the most flexible and stable interpolation meshless technique available in the literature—the Radial Point Interpolation Method (RPIM). Here, a 2D approach is considered to numerically analyse composite laminated beams. Both the meshless formulation and the equilibrium equations ruling the studied physical phenomenon are presented with detail. Several benchmark beam examples are studied and the results are compared with exact solutions available in the literature and the results obtained from a commercial finite element software. The results show the efficiency and accuracy of the proposed numeric technique.

Integrated Design of Undepressed Collector for Low Power Gyrotron

NASA Astrophysics Data System (ADS)

Kumar, Anil; Goswami, Uttam K.; Poonia, Sunita; Singh, Udaybir; Kumar, Nitin; Alaria, M. K.; Bera, A.; Khatun, Hasina; Sinha, A. K.

2011-06-01

A 42 GHz, 200 kW continuous wave (CW) gyrotron, operating at TE03 mode is under development for the electron cyclotron resonance plasma heating of the Indian TOKAMAK system. The gyrotron is made up of an undepressed collector. The undepressed collector is simple to design and cost effective. In this paper, a detailed design study of the undepressed collector for the 42 GHz gyrotron is presented. The EGUN code is used to analyze the spent electron beam trajectory for the maximum spread to reduce the power loading on the collector surface. To achieve wall loading ≤1 kW/cm2, a collector with a length of 800 mm and a radius of 42.5 mm is designed. The design also includes the three magnet systems around the collector for maximum and uniform beam spread. The thermal and the structural analyses are done using the ANSYS code to optimize the collector structure and dimensions with tolerance.

Platinum replica electron microscopy: Imaging the cytoskeleton globally and locally.

PubMed

Svitkina, Tatyana M

2017-05-01

Structural studies reveal how smaller components of a system work together as a whole. However, combining high resolution of details with full coverage of the whole is challenging. In cell biology, light microscopy can image many cells in their entirety, but at a lower resolution, whereas electron microscopy affords very high resolution, but usually at the expense of the sample size and coverage. Structural analyses of the cytoskeleton are especially demanding, because cytoskeletal networks are unresolvable by light microscopy due to their density and intricacy, whereas their proper preservation is a challenge for electron microscopy. Platinum replica electron microscopy can uniquely bridge the gap between the "comfort zones" of light and electron microscopy by allowing high resolution imaging of the cytoskeleton throughout the entire cell and in many cells in the population. This review describes the principles and applications of platinum replica electron microscopy for studies of the cytoskeleton. Copyright © 2017 Elsevier Ltd. All rights reserved.

Temporal genetic stability of Stegomyia aegypti (= Aedes aegypti) populations.

PubMed

Gloria-Soria, A; Kellner, D A; Brown, J E; Gonzalez-Acosta, C; Kamgang, B; Lutwama, J; Powell, J R

2016-06-01

The mosquito Stegomyia aegypti (= Aedes aegypti) (Diptera: Culicidae) is the primary vector of viruses that cause yellow fever, dengue and Chikungunya fever. In the absence of effective vaccines, the reduction of these diseases relies on vector control strategies. The success of these strategies is tightly linked to the population dynamics of target populations. In the present study, 14 collections from St. aegypti populations separated by periods of 1-13 years were analysed to determine their temporal genetic stability. Although temporal structure is discernible in most populations, the degree of temporal differentiation is dependent on the population and does not obscure the geographic structure of the various populations. The results suggest that performing detailed studies in the years prior to and after population reduction- or modification-based control interventions at each target field site may be useful in assessing the probability of success. © 2016 The Royal Entomological Society.

Platinum Replica Electron Microscopy: Imaging the Cytoskeleton Globally and Locally

PubMed Central

SVITKINA, Tatyana M.

2017-01-01

Structural studies reveal how smaller components of a system work together as a whole. However, combining high resolution of details with full coverage of the whole is challenging. In cell biology, light microscopy can image many cells in their entirety, but at a lower resolution, whereas electron microscopy affords very high resolution, but usually at the expense of the sample size and coverage. Structural analyses of the cytoskeleton are especially demanding, because cytoskeletal networks are unresolvable by light microscopy due to their density and intricacy, whereas their proper preservation is a challenge for electron microscopy. Platinum replica electron microscopy can uniquely bridge the gap between the “comfort zones” of light and electron microscopy by allowing high resolution imaging of the cytoskeleton throughout the entire cell and in many cells in the population. This review describes the principles and applications of platinum replica electron microscopy for studies of the cytoskeleton. PMID:28323208

Deficits in narrative abilities in child British Sign Language users with specific language impairment.

PubMed

Herman, Ros; Rowley, Katherine; Mason, Kathryn; Morgan, Gary

2014-01-01

This study details the first ever investigation of narrative skills in a group of 17 deaf signing children who have been diagnosed with disorders in their British Sign Language development compared with a control group of 17 deaf child signers matched for age, gender, education, quantity, and quality of language exposure and non-verbal intelligence. Children were asked to generate a narrative based on events in a language free video. Narratives were analysed for global structure, information content and local level grammatical devices, especially verb morphology. The language-impaired group produced shorter, less structured and grammatically simpler narratives than controls, with verb morphology particularly impaired. Despite major differences in how sign and spoken languages are articulated, narrative is shown to be a reliable marker of language impairment across the modality boundaries. © 2014 Royal College of Speech and Language Therapists.

Enhancing cellulose utilization for fuels and chemicals by genetic modification of plant cell wall architecture.

PubMed

Vermerris, Wilfred; Abril, Alejandra

2015-04-01

Cellulose from plant biomass can serve as a sustainable feedstock for fuels, chemicals and polymers that are currently produced from petroleum. In order to enhance economic feasibility, the efficiency of cell wall deconstruction needs to be enhanced. With the use of genetic and biotechnological approaches cell wall composition can be modified in such a way that interactions between the major cell wall polymers—cellulose, hemicellulosic polysaccharides and lignin—are altered. Some of the resulting plants are compromised in their growth and development, but this may be caused in part by the plant's overcompensation for metabolic perturbances. In other cases novel structures have been introduced in the cell wall without negative effects. The first field studies with engineered bioenergy crops look promising, while detailed structural analyses of cellulose synthase offer new opportunities to modify cellulose itself. Copyright © 2014 Elsevier Ltd. All rights reserved.

Mathematics, structuralism and biology.

PubMed

Saunders, P T

1988-01-01

A new approach is gaining ground in biology, one that has much in common with the structuralist tradition in other fields. It is very much in the spirit of an earlier view of biology and indeed of science in general. It is also, though this is not generally recognized, in the spirit of twentieth century physics. As in modern physics, however, it is not a question of ignoring all the progress that has been made within the former paradigm. On the contrary, the aim is to use it as a basis for setting out in a somewhat different direction. Complex phenomena do not generally lend themselves to reductionist analyses which seek explanation only in terms of detailed mechanisms, but a proper scientific discussion of structure must make full use of what we have already learned - by whatever means - about the processes that underly the phenomena we are trying to understand.

Inferring human history in East Asia from Y chromosomes.

PubMed

Wang, Chuan-Chao; Li, Hui

2013-06-03

East Asia harbors substantial genetic, physical, cultural and linguistic diversity, but the detailed structures and interrelationships of those aspects remain enigmatic. This question has begun to be addressed by a rapid accumulation of molecular anthropological studies of the populations in and around East Asia, especially by Y chromosome studies. The current Y chromosome evidence suggests multiple early migrations of modern humans from Africa via Southeast Asia to East Asia. After the initial settlements, the northward migrations during the Paleolithic Age shaped the genetic structure in East Asia. Subsequently, recent admixtures between Central Asian immigrants and northern East Asians enlarged the genetic divergence between southern and northern East Asia populations. Cultural practices, such as languages, agriculture, military affairs and social prestige, also have impacts on the genetic patterns in East Asia. Furthermore, application of Y chromosome analyses in the family genealogy studies offers successful showcases of the utility of genetics in studying the ancient history.

Bio-inspired, colorful, flexible, defrostable light-scattering hybrid films for the effective distribution of LED light.

PubMed

An, Seongpil; Jo, Hong Seok; Kim, Yong Il; Song, Kyo Yong; Kim, Min-Woo; Lee, Kyu Bum; Yarin, Alexander L; Yoon, Sam S

2017-07-06

Bioluminescent jellyfish has a unique structure derived from fiber/polymer interfaces that is advantageous for effective light scattering in the dark, deep sea water. Herein, we demonstrate the fabrication of bio-inspired hybrid films by mimicry of the jellyfish's structure, leading to excellent light-scattering performance and defrosting capability. A haze value reaching 59.3% and a heating temperature of up to 292 °C were achieved with the films. Accordingly, the developed surface constitutes an attractive optical device for lighting applications, especially for street or vehicle luminaries for freezing Arctic-climate countries. The morphological details of the hybrid films were revealed by scanning electron microscopy. The light-scattering properties of these films were examined by ultraviolet-visible-infrared spectrophotometry and anti-glare effect analyses. The defrosting performance of the hybrid films was evaluated via heating tests and infra-red observations.

How Conformational Dynamics of DNA Polymerase Select Correct Substrates: Experiments and Simulations

PubMed Central

Kirmizialtin, Serdal; Nguyen, Virginia; Johnson, Kenneth A.; Elber, Ron

2012-01-01

Summary Nearly every enzyme undergoes a significant change in structure after binding it’s substrate. New experimental and theoretical analyses of the role of changes in HIV reverse transcriptase structure in selecting a correct substrate are presented. Atomically detailed simulations using the Milestoning method predict a rate and free energy profile of the conformational change commensurate with experimental data. A large conformational change occurring on a ms timescale locks the correct nucleotide at the active site, but promotes release of a mismatched nucleotide. The positions along the reaction coordinate that decide the yield of the reaction are not determined by the chemical step. Rather, the initial steps of weak substrate binding and protein conformational transition significantly enrich the yield of a reaction with a correct substrate, while the same steps diminish the reaction probability of an incorrect substrate. PMID:22483109

Geometrical modelling of textile reinforcements

NASA Technical Reports Server (NTRS)

Pastore, Christopher M.; Birger, Alexander B.; Clyburn, Eugene

1995-01-01

The mechanical properties of textile composites are dictated by the arrangement of yarns contained with the material. Thus to develop a comprehensive understanding of the performance of these materials, it is necessary to develop a geometrical model of the fabric structure. This task is quite complex, as the fabric is made form highly flexible yarn systems which experience a certain degree of compressability. Furthermore there are tremendous forces acting on the fabric during densification typically resulting in yarn displacement and misorientation. The objective of this work is to develop a methodology for characterizing the geometry of yarns within a fabric structure including experimental techniques for evaluating these models. Furthermore, some applications of these geometric results to mechanical prediction models are demonstrated. Although more costly than its predecessors, the present analysis is based on the detailed architecture developed by one of the authors and his colleagues and accounts for many of the geometric complexities that other analyses ignore.

Insights into a spatially embedded social network from a large-scale snowball sample

NASA Astrophysics Data System (ADS)

Illenberger, J.; Kowald, M.; Axhausen, K. W.; Nagel, K.

2011-12-01

Much research has been conducted to obtain insights into the basic laws governing human travel behaviour. While the traditional travel survey has been for a long time the main source of travel data, recent approaches to use GPS data, mobile phone data, or the circulation of bank notes as a proxy for human travel behaviour are promising. The present study proposes a further source of such proxy-data: the social network. We collect data using an innovative snowball sampling technique to obtain details on the structure of a leisure-contacts network. We analyse the network with respect to its topology, the individuals' characteristics, and its spatial structure. We further show that a multiplication of the functions describing the spatial distribution of leisure contacts and the frequency of physical contacts results in a trip distribution that is consistent with data from the Swiss travel survey.

Inferring human history in East Asia from Y chromosomes

PubMed Central

2013-01-01

East Asia harbors substantial genetic, physical, cultural and linguistic diversity, but the detailed structures and interrelationships of those aspects remain enigmatic. This question has begun to be addressed by a rapid accumulation of molecular anthropological studies of the populations in and around East Asia, especially by Y chromosome studies. The current Y chromosome evidence suggests multiple early migrations of modern humans from Africa via Southeast Asia to East Asia. After the initial settlements, the northward migrations during the Paleolithic Age shaped the genetic structure in East Asia. Subsequently, recent admixtures between Central Asian immigrants and northern East Asians enlarged the genetic divergence between southern and northern East Asia populations. Cultural practices, such as languages, agriculture, military affairs and social prestige, also have impacts on the genetic patterns in East Asia. Furthermore, application of Y chromosome analyses in the family genealogy studies offers successful showcases of the utility of genetics in studying the ancient history. PMID:23731529

Structural and vibrational analyses of new potential anticancer drug 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione

NASA Astrophysics Data System (ADS)

Vitnik, Željko J.; Popović-Đorđević, Jelena B.; Vitnik, Vesna D.

2017-06-01

The establishment of the most stable structures of 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione, potential anticancer and antimicrobial drug has been investigated in this work. A detailed interpretation of experimental and calculated IR, UV and NMR spectra were reported. The equilibrium geometry, harmonic vibrational frequencies and electronic properties have been investigated with Density Functional Theory using B3LYP/6-311++G(d,p) method. The scaled theoretical wavenumber showed very good agreement with the experimental values. The charge transfer in the molecule was confirmed with NBO analysis. Ultraviolet-visible spectrum was calculated using TD-DFT method and compared with experimental spectrum. The calculated energy and oscillator strength well reproduce the experimental data. The molecular electrostatic potential surface map portrays potential binding sites of the title molecule.

Minimum stiffness criteria for ring frame stiffeners of space launch vehicles

NASA Astrophysics Data System (ADS)

Friedrich, Linus; Schröder, Kai-Uwe

2016-12-01

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

Coupled grain boundary motion in aluminium: the effect of structural multiplicity

NASA Astrophysics Data System (ADS)

Cheng, Kuiyu; Zhang, Liang; Lu, Cheng; Tieu, Kiet

2016-05-01

The shear-induced coupled grain boundary motion plays an important role in the deformation of nanocrystalline (NC) materials. It has been known that the atomic structure of the grain boundary (GB) is not necessarily unique for a given set of misorientation and inclination of the boundary plane. However, the effect of the structural multiplicity of the GB on its coupled motion has not been reported. In the present study we investigated the structural multiplicity of the symmetric tilt Σ5(310) boundary in aluminium and its influence on the GB behaviour at a temperature range of 300 K-600 K using molecular dynamic simulations. Two starting atomic configurations were adopted in the simulations which resulted in three different GB structures at different temperatures. Under the applied shear deformation each GB structure exhibited its unique GB behaviour. A dual GB behaviour, namely the transformation of one GB behaviour to another during deformation, was observed for the second starting configuration at a temperature of 500 K. The atomistic mechanisms responsible for these behaviour were analysed in detail. The result of this study implicates a strong relationship between GB structures and their behaviour, and provides a further information of the grain boundary mediated plasticity in nanocrystalline materials.

A Global Comparison of the Human and T. brucei Degradomes Gives Insights about Possible Parasite Drug Targets

PubMed Central

Mashiyama, Susan T.; Koupparis, Kyriacos; Caffrey, Conor R.; McKerrow, James H.; Babbitt, Patricia C.

2012-01-01

We performed a genome-level computational study of sequence and structure similarity, the latter using crystal structures and models, of the proteases of Homo sapiens and the human parasite Trypanosoma brucei. Using sequence and structure similarity networks to summarize the results, we constructed global views that show visually the relative abundance and variety of proteases in the degradome landscapes of these two species, and provide insights into evolutionary relationships between proteases. The results also indicate how broadly these sequence sets are covered by three-dimensional structures. These views facilitate cross-species comparisons and offer clues for drug design from knowledge about the sequences and structures of potential drug targets and their homologs. Two protease groups (“M32” and “C51”) that are very different in sequence from human proteases are examined in structural detail, illustrating the application of this global approach in mining new pathogen genomes for potential drug targets. Based on our analyses, a human ACE2 inhibitor was selected for experimental testing on one of these parasite proteases, TbM32, and was shown to inhibit it. These sequence and structure data, along with interactive versions of the protein similarity networks generated in this study, are available at http://babbittlab.ucsf.edu/resources.html. PMID:23236535

Turning limited experimental information into 3D models of RNA.

PubMed

Flores, Samuel Coulbourn; Altman, Russ B

2010-09-01

Our understanding of RNA functions in the cell is evolving rapidly. As for proteins, the detailed three-dimensional (3D) structure of RNA is often key to understanding its function. Although crystallography and nuclear magnetic resonance (NMR) can determine the atomic coordinates of some RNA structures, many 3D structures present technical challenges that make these methods difficult to apply. The great flexibility of RNA, its charged backbone, dearth of specific surface features, and propensity for kinetic traps all conspire with its long folding time, to challenge in silico methods for physics-based folding. On the other hand, base-pairing interactions (either in runs to form helices or isolated tertiary contacts) and motifs are often available from relatively low-cost experiments or informatics analyses. We present RNABuilder, a novel code that uses internal coordinate mechanics to satisfy user-specified base pairing and steric forces under chemical constraints. The code recapitulates the topology and characteristic L-shape of tRNA and obtains an accurate noncrystallographic structure of the Tetrahymena ribozyme P4/P6 domain. The algorithm scales nearly linearly with molecule size, opening the door to the modeling of significantly larger structures.

Crystal structures, DFT calculations and Hirshfeld surface analyses of three new cobalt(III) Schiff base complexes derived from meso-1,2-diphenyl-1,2-ethylenediamine

NASA Astrophysics Data System (ADS)

Masoudi, Mohaddeseh; Behzad, Mahdi; Arab, Ali; Tarahhomi, Atekeh; Rudbari, Hadi Amiri; Bruno, Giuseppe

2016-10-01

Three new Cobalt(III) Schiff base complexes were synthesized and characterized by spectroscopic methods and x-ray crystallography. The DFT optimized structures of the complexes agreed well with the corresponding x-ray structures. According to the calculated vibrational normal modes, the observed signals in the IR spectra of the complexes were assigned. The experimental UV-Vis spectra of the complexes were also discussed considering the calculated excited states and molecular orbitals. Hirshfeld surface analysis was carried out to study the inter-contact interactions in these complexes. These studies provided comprehensive description of such inter-contact interactions by means of an appealing graphical approach using 3D Hirshfeld surfaces and 2D fingerprint plots derived from the surfaces. It indicated the dominant role of various hydrogen intermolecular interactions such as H⋯H (above 60%), C⋯H/H⋯C (near 15%-20%), O⋯H/H⋯O (about 16% or 17% for structures with counter ion ClO4-) and H⋯F (17% for structure with counter ion PF6-) contacts into the crystal packing which are discussed in details.

Toxin-induced conformational changes in a potassium channel revealed by solid-state NMR

NASA Astrophysics Data System (ADS)

Lange, Adam; Giller, Karin; Hornig, Sönke; Martin-Eauclaire, Marie-France; Pongs, Olaf; Becker, Stefan; Baldus, Marc

2006-04-01

The active site of potassium (K+) channels catalyses the transport of K+ ions across the plasma membrane-similar to the catalytic function of the active site of an enzyme-and is inhibited by toxins from scorpion venom. On the basis of the conserved structures of K+ pore regions and scorpion toxins, detailed structures for the K+ channel-scorpion toxin binding interface have been proposed. In these models and in previous solution-state nuclear magnetic resonance (NMR) studies using detergent-solubilized membrane proteins, scorpion toxins were docked to the extracellular entrance of the K+ channel pore assuming rigid, preformed binding sites. Using high-resolution solid-state NMR spectroscopy, here we show that high-affinity binding of the scorpion toxin kaliotoxin to a chimaeric K+ channel (KcsA-Kv1.3) is associated with significant structural rearrangements in both molecules. Our approach involves a combined analysis of chemical shifts and proton-proton distances and demonstrates that solid-state NMR is a sensitive method for analysing the structure of a membrane protein-inhibitor complex. We propose that structural flexibility of the K+ channel and the toxin represents an important determinant for the high specificity of toxin-K+ channel interactions.

Ni doped Fe3O4 magnetic nanoparticles.

PubMed

Larumbe, S; Gómez-Polo, C; Pérez-Landazábal, J I; García-Prieto, A; Alonso, J; Fdez-Gubieda, M L; Cordero, D; Gómez, J

2012-03-01

In this work, the effect of nickel doping on the structural and magnetic properties of Fe3O4 nanoparticles is analysed. Ni(x)Fe(3-x)O4 nanoparticles (x = 0, 0.04, 0.06 and 0.11) were obtained by chemical co-precipitation method, starting from a mixture of FeCl2 x 4H2O and Ni(AcO)2 x 4H2O salts. The analysis of the structure and composition of the synthesized nanoparticles confirms their nanometer size (main sizes around 10 nm) and the inclusion of the Ni atoms in the characteristic spinel structure of the magnetite Fe3O4 phase. In order to characterize in detail the structure of the samples, X-ray absorption (XANES) measurements were performed on the Ni and Fe K-edges. The results indicate the oxidation of the Ni atoms to the 2+ state and the location of the Ni2+ cations in the Fe2+ octahedral sites. With respect to the magnetic properties, the samples display the characteristic superparamagnetic behaviour, with anhysteretic magnetic response at room temperature. The estimated magnetic moment confirms the partial substitution of the Fe2+ cations by Ni2+ atoms in the octahedral sites of the spinel structure.

Invariom based electron density studies on the C/Si analogues haloperidol/sila-haloperidol and venlafaxine/sila-venlafaxine.

PubMed

Luger, Peter; Dittrich, Birger; Tacke, Reinhold

2015-09-14

The subjects of this study are the structures and electron densities of the carbon/silicon analogues haloperidol/sila-haloperidol (1a/1b) and venlafaxine/sila-venlafaxine (2a/2b). The parent carbon compounds 1a (an antipsychotic agent) and 2a (an antidepressant) are both in clinical use. For haloperidol/sila-haloperidol, three published structures were studied in more detail: the structures of haloperidol hydrochloride (1a·HCl), haloperidol hydropicrate (1a·HPic) and sila-haloperidol hydrochloride (1b·HCl). For venlafaxine/sila-venlafaxine, the published structures of venlafaxine (2a), venlafaxine hydrochloride (2a·HCl; as orthorhombic (2a·HCl-ortho) and monoclinic polymorph (2a·HCl-mono)) and sila-venlafaxine hydrochloride (2b·HCl) were investigated. Based on these structures, the molecular electron densities were reconstructed by using the invariom formalism. They were further analysed in terms of Bader's quantum theory of atoms in molecules, electrostatic potentials mapped onto electron density isosurfaces and Hirshfeld surfaces. These studies were performed with a special emphasis on the comparison of the corresponding carbon/silicon analogues.

Numerical Modeling of the Lake Mary Road Bridge for Foundation Reuse Assessment

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

Sitek, M. A.; Bojanowski, C.; Lottes, S. A.

This project uses numerical techniques to assess the structural integrity and capacity of the bridge foundations and, as a result, reduces the risk associated with reusing the same foundation for a new superstructure. Nondestructive test methods of different types were used in combination with the numerical modeling and analysis. The onsite tests included visual inspection, tomography, ground penetrating radar, drilling boreholes and coreholes, and the laboratory tests on recovered samples. The results were utilized to identify the current geometry of the structure with foundation, including the hidden geometry of the abutments and piers, and soil and foundation material properties. Thismore » data was used to build the numerical models and run computational analyses on a high performance computer cluster to assess the structural integrity of the bridge and foundations including the suitability of the foundation for reuse with a new superstructure and traffic that will increase the load on the foundations. Computational analysis is more cost-effective and gives an advantage of getting more detailed knowledge about the structural response. It also enables to go beyond non-destructive testing and find the failure conditions without destroying the structure under consideration.« less

Crystal structure determination and analysis of 11S coconut allergen: Cocosin.

PubMed

Vajravijayan, S; Nandhagopal, N; Gunasekaran, K

2017-12-01

Allergy is an abnormal immune response against an innocuous target. Food allergy is an adverse reaction caused by common foods most well-known being those involving peanuts. Apart from mono sensitized food allergy, cross-reactivity with other food allergens is also commonly observed. To understand the phenomenon of cross-reactivity related to immune response, three dimensional structures of the allergens and their antigenic epitopes has to be analysed in detail. The X-ray crystal structure of Cocosin, a common 11S food allergen from coconut, has been determined at 2.2Å resolution using molecular replacement technique. The monomer of 52kDa is composed of two β-jelly roll domains, one with acidic and the other with basic character. The structure shows hexameric association with two trimers facing each other. Though the overall structure of Cocosin is similar to other 11S allergens, the occurrence of experimentally determined epitopes of the peanut allergen Ara h 3 at flexible as well as variable regions could be the reason for the clinically reported result of cross-reactivity that the peanut allergic patients are not sensitized with coconut allergen. Copyright © 2017 Elsevier Ltd. All rights reserved.

Quantum Yield Heterogeneity among Single Nonblinking Quantum Dots Revealed by Atomic Structure-Quantum Optics Correlation

DOE PAGES

Orfield, Noah J.; McBride, James R.; Wang, Feng; ...

2016-02-05

Physical variations in colloidal nanostructures give rise to heterogeneity in expressed optical behavior. This correlation between nanoscale structure and function demands interrogation of both atomic structure and photophysics at the level of single nanostructures to be fully understood. In this paper, by conducting detailed analyses of fine atomic structure, chemical composition, and time-resolved single-photon photoluminescence data for the same individual nanocrystals, we reveal inhomogeneity in the quantum yields of single nonblinking “giant” CdSe/CdS core/shell quantum dots (g-QDs). We find that each g-QD possesses distinctive single exciton and biexciton quantum yields that result mainly from variations in the degree of charging,more » rather than from volume or structure inhomogeneity. We further establish that there is a very limited nonemissive “dark” fraction (<2%) among the studied g-QDs and present direct evidence that the g-QD core must lack inorganic passivation for the g-QD to be “dark”. Finally and therefore, in contrast to conventional QDs, ensemble photoluminescence quantum yield is principally defined by charging processes rather than the existence of dark g-QDs.« less

Shallow Refraction and Rg Analysis at the Source Physics Experiment Site

NASA Astrophysics Data System (ADS)

Rowe, C. A.; Carmichael, J. D.; Patton, H. J.; Snelson, C. M.; Coblentz, D. D.; Larmat, C. S.; Yang, X.

2014-12-01

We present analyses of the two-dimensional (2D) seismic structure beneath Source Physics Experiments (SPE) geophone lines that extended 100 to 2000 m from the source borehole with 100 m spacing. With seismic sources provided only at one end of the geophone lines, standard refraction profiling methods are unable to resolve the seismic velocity structures unambiguously. In previous work we have shown overall agreement between body-wave refraction modeling and Rg dispersion curves for the least complex of the five lines, Line 2, leading us to offer a simplified1D model for this line. A more detailed inspection of Line 2 supports a 2D re-interpretation of the structure on this line. We observe variation along the length of the line, as evidenced by abrupt and consistent changes in the behavior of surface waves at higher frequencies. We interpret this as a manifestation of significant material or structural heterogeneity in the shallowest strata. This interpretation is consistent with P-wave and Rg attenuation observations. Planned additional sources, both at the distal ends of the profiles and intermittently within their lengths, will provide significant enhancement to our ability to resolve this complicated shallow structure.

Development of an integrated BEM approach for hot fluid structure interaction

NASA Technical Reports Server (NTRS)

Dargush, G. F.; Banerjee, P. K.; Shi, Y.

1991-01-01

The development of a comprehensive fluid-structure interaction capability within a boundary element computer code is described. This new capability is implemented in a completely general manner, so that quite arbitrary geometry, material properties and boundary conditions may be specified. Thus, a single analysis code can be used to run structures-only problems, fluids-only problems, or the combined fluid-structure problem. In all three cases, steady or transient conditions can be selected, with or without thermal effects. Nonlinear analyses can be solved via direct iteration or by employing a modified Newton-Raphson approach. A number of detailed numerical examples are included at the end of these two sections to validate the formulations and to emphasize both the accuracy and generality of the computer code. A brief review of the recent applicable boundary element literature is included for completeness. The fluid-structure interaction facility is discussed. Once again, several examples are provided to highlight this unique capability. A collection of potential boundary element applications that have been uncovered as a result of work related to the present grant is given. For most of those problems, satisfactory analysis techniques do not currently exist.

COGNATE: comparative gene annotation characterizer.

PubMed

Wilbrandt, Jeanne; Misof, Bernhard; Niehuis, Oliver

2017-07-17

The comparison of gene and genome structures across species has the potential to reveal major trends of genome evolution. However, such a comparative approach is currently hampered by a lack of standardization (e.g., Elliott TA, Gregory TR, Philos Trans Royal Soc B: Biol Sci 370:20140331, 2015). For example, testing the hypothesis that the total amount of coding sequences is a reliable measure of potential proteome diversity (Wang M, Kurland CG, Caetano-Anollés G, PNAS 108:11954, 2011) requires the application of standardized definitions of coding sequence and genes to create both comparable and comprehensive data sets and corresponding summary statistics. However, such standard definitions either do not exist or are not consistently applied. These circumstances call for a standard at the descriptive level using a minimum of parameters as well as an undeviating use of standardized terms, and for software that infers the required data under these strict definitions. The acquisition of a comprehensive, descriptive, and standardized set of parameters and summary statistics for genome publications and further analyses can thus greatly benefit from the availability of an easy to use standard tool. We developed a new open-source command-line tool, COGNATE (Comparative Gene Annotation Characterizer), which uses a given genome assembly and its annotation of protein-coding genes for a detailed description of the respective gene and genome structure parameters. Additionally, we revised the standard definitions of gene and genome structures and provide the definitions used by COGNATE as a working draft suggestion for further reference. Complete parameter lists and summary statistics are inferred using this set of definitions to allow down-stream analyses and to provide an overview of the genome and gene repertoire characteristics. COGNATE is written in Perl and freely available at the ZFMK homepage ( https://www.zfmk.de/en/COGNATE ) and on github ( https://github.com/ZFMK/COGNATE ). The tool COGNATE allows comparing genome assemblies and structural elements on multiples levels (e.g., scaffold or contig sequence, gene). It clearly enhances comparability between analyses. Thus, COGNATE can provide the important standardization of both genome and gene structure parameter disclosure as well as data acquisition for future comparative analyses. With the establishment of comprehensive descriptive standards and the extensive availability of genomes, an encompassing database will become possible.

Quality assessment of the TLS data in conservation of monuments

NASA Astrophysics Data System (ADS)

Markiewicz, Jakub S.; Zawieska, Dorota

2015-06-01

Laser scanning has been recently confirming its high potential in the field of acquiring 3D data for architectural and engineering objects. The objective of this paper is to analyse the quality of the TLS data acquired for different surfaces of monumental objects, with consideration of distances and the scanning angles. Tests concerning the quality of the survey data and shapes of architectural objects, characterised by diversified curvature, structure and the uniformity of the surface, were performed. The obtained results proved that utilisation of terrestrial laser scanning techniques does not allow to achieve expected accuracy for some historical surfaces and it should be substituted by alternative, photogrammetric techniques. Therefore, the typology of constructions of historical objects is important not only for selection of the optimum technique of surveys, but also for its appropriate utilisation. The test objects were architectural details of the Main Hall of the Warsaw University of Technology. Scans were acquired using the 5006h scanner. Diversified geometry of scans was tested, and the relations between the distance and obtained accuracy were specified. In the case of numerous conservational works the precise surface reconstruction is often important, in order to specify damages. Therefore, the repeatability of obtained TLS results for selected surfaces was also tested. Different surfaces were analysed, which are composed of different materials having glittery elements and inhomogeneous structure. The obtained results and performed analyses revealed the high imperfections of the TLS technique applied for measuring surfaces of historical objects. The presented accuracy of measurements of projection of historical surfaces, obtained using the TLS technique may be applied by art conservators, museum professionals, archaeologists and other specialists, to perform wide analyses of historical heritage objects.

The Structure and Distribution of Benthic Communities on a Shallow Seamount (Cobb Seamount, Northeast Pacific Ocean)

PubMed Central

Curtis, Janelle M. R.; Clarke, M. Elizabeth

2016-01-01

Partially owing to their isolation and remote distribution, research on seamounts is still in its infancy, with few comprehensive datasets and empirical evidence supporting or refuting prevailing ecological paradigms. As anthropogenic activity in the high seas increases, so does the need for better understanding of seamount ecosystems and factors that influence the distribution of sensitive benthic communities. This study used quantitative community analyses to detail the structure, diversity, and distribution of benthic mega-epifauna communities on Cobb Seamount, a shallow seamount in the Northeast Pacific Ocean. Underwater vehicles were used to visually survey the benthos and seafloor in ~1600 images (~5 m2 in size) between 34 and 1154 m depth. The analyses of 74 taxa from 11 phyla resulted in the identification of nine communities. Each community was typified by taxa considered to provide biological structure and/or be a primary producer. The majority of the community-defining taxa were either cold-water corals, sponges, or algae. Communities were generally distributed as bands encircling the seamount, and depth was consistently shown to be the strongest environmental proxy of the community-structuring processes. The remaining variability in community structure was partially explained by substrate type, rugosity, and slope. The study used environmental metrics, derived from ship-based multibeam bathymetry, to model the distribution of communities on the seamount. This model was successfully applied to map the distribution of communities on a 220 km2 region of Cobb Seamount. The results of the study support the paradigms that seamounts are diversity 'hotspots', that the majority of seamount communities are at risk to disturbance from bottom fishing, and that seamounts are refugia for biota, while refuting the idea that seamounts have high endemism. PMID:27792782

Insights into plant cell wall structure, architecture, and integrity using glycome profiling of native and AFEXTM-pre-treated biomass

PubMed Central

Pattathil, Sivakumar; Hahn, Michael G.; Dale, Bruce E.; Chundawat, Shishir P. S.

2015-01-01

Cell walls, which constitute the bulk of plant biomass, vary considerably in their structure, composition, and architecture. Studies on plant cell walls can be conducted on both native and pre-treated plant biomass samples, allowing an enhanced understanding of these structural and compositional variations. Here glycome profiling was employed to determine the relative abundance of matrix polysaccharides in several phylogenetically distinct native and pre-treated plant biomasses. Eight distinct biomass types belonging to four different subgroups (i.e. monocot grasses, woody dicots, herbaceous dicots, and softwoods) were subjected to various regimes of AFEX™ (ammonia fiber expansion) pre-treatment [AFEX is a trademark of MBI, Lansing (http://www.mbi.org]. This approach allowed detailed analysis of close to 200 cell wall glycan epitopes and their relative extractability using a high-throughput platform. In general, irrespective of the phylogenetic origin, AFEX™ pre-treatment appeared to cause loosening and improved accessibility of various xylan epitope subclasses in most plant biomass materials studied. For most biomass types analysed, such loosening was also evident for other major non-cellulosic components including subclasses of pectin and xyloglucan epitopes. The studies also demonstrate that AFEX™ pre-treatment significantly reduced cell wall recalcitrance among diverse phylogenies (except softwoods) by inducing structural modifications to polysaccharides that were not detectable by conventional gross composition analyses. It was found that monitoring changes in cell wall glycan compositions and their relative extractability for untreated and pre-treated plant biomass can provide an improved understanding of variations in structure and composition of plant cell walls and delineate the role(s) of matrix polysaccharides in cell wall recalcitrance. PMID:25911738

Insights into plant cell wall structure, architecture, and integrity using glycome profiling of native and AFEX TM -pre-treated biomass

DOE PAGES

Pattathil, Sivakumar; Hahn, Michael G.; Dale, Bruce E.; ...

2015-04-23

We report that cell walls, which constitute the bulk of plant biomass, vary considerably in their structure, composition, and architecture. Studies on plant cell walls can be conducted on both native and pre-treated plant biomass samples, allowing an enhanced understanding of these structural and compositional variations. Here glycome profiling was employed to determine the relative abundance of matrix polysaccharides in several phylogenetically distinct native and pre-treated plant biomasses. Eight distinct biomass types belonging to four different subgroups (i.e. monocot grasses, woody dicots, herbaceous dicots, and softwoods) were subjected to various regimes of AFEX™ (ammonia fiber expansion) pre-treatment [AFEX is amore » trademark of MBI, Lansing (http://www.mbi.org]. This approach allowed detailed analysis of close to 200 cell wall glycan epitopes and their relative extractability using a high-throughput platform. In general, irrespective of the phylogenetic origin, AFEX™ pre-treatment appeared to cause loosening and improved accessibility of various xylan epitope subclasses in most plant biomass materials studied. For most biomass types analysed, such loosening was also evident for other major non-cellulosic components including subclasses of pectin and xyloglucan epitopes. The studies also demonstrate that AFEX™ pre-treatment significantly reduced cell wall recalcitrance among diverse phylogenies (except softwoods) by inducing structural modifications to polysaccharides that were not detectable by conventional gross composition analyses. Lastly, we found that monitoring changes in cell wall glycan compositions and their relative extractability for untreated and pre-treated plant biomass can provide an improved understanding of variations in structure and composition of plant cell walls and delineate the role(s) of matrix polysaccharides in cell wall recalcitrance.« less

Small-scale disturbances in the stratigraphy of the NEEM ice core: observations and numerical model simulations

NASA Astrophysics Data System (ADS)

Jansen, D.; Llorens, M.-G.; Westhoff, J.; Steinbach, F.; Kipfstuhl, S.; Bons, P. D.; Griera, A.; Weikusat, I.

2016-02-01

Disturbances on the centimetre scale in the stratigraphy of the North Greenland Eemian Ice Drilling (NEEM) ice core (North Greenland) can be mapped by an optical line scanner as long as the ice has visual layering, such as, for example, cloudy bands. Different focal depths allow, to a certain extent, a three-dimensional view of the structures. In this study we present a detailed analysis of the visible folds, discuss their characteristics and frequency, and present examples of typical fold structures. We also analyse the structures with regard to the deformation boundary conditions under which they formed. The structures evolve from gentle waves at about 1500 m to overturned z folds with increasing depth. Occasionally, the folding causes significant thickening of layers. Their similar fold shape indicates that they are passive features and are probably not initiated by rheology differences between alternating layers. Layering is heavily disturbed and tracing of single layers is no longer possible below a depth of 2160 m. C axes orientation distributions for the corresponding core sections were analysed, where available, in addition to visual stratigraphy. The data show axial-plane parallel strings of grains with c axis orientations that deviate from that of the matrix, which shows a single maximum fabric at the depth where the folding occurs. Numerical modelling of crystal viscoplastic deformation and dynamic recrystallisation was used to improve the understanding of the formation of the observed structures during deformation. The modelling reproduces the development of bands of grains with a tilted-lattice orientation relative to the single maximum fabric of the matrix, and also the associated local deformation. We conclude from these results that the observed folding can be explained by formation of these tilted-lattice bands.

Publications - GMC 275 | Alaska Division of Geological & Geophysical

Science.gov Websites

DGGS GMC 275 Publication Details Title: Geochemical analyses from the following North Slope oil/gas Piggott, Neil, 1997, Geochemical analyses from the following North Slope oil/gas exploratory well

VK-phantom male with 583 structures and female with 459 structures, based on the sectioned images of a male and a female, for computational dosimetry

PubMed Central

Park, Jin Seo; Jung, Yong Wook; Choi, Hyung-Do; Lee, Ae-Kyoung

2018-01-01

Abstract The anatomical structures in most phantoms are classified according to tissue properties rather than according to their detailed structures, because the tissue properties, not the detailed structures, are what is considered important. However, if a phantom does not have detailed structures, the phantom will be unreliable because different tissues can be regarded as the same. Thus, we produced the Visible Korean (VK) -phantoms with detailed structures (male, 583 structures; female, 459 structures) based on segmented images of the whole male body (interval, 1.0 mm; pixel size, 1.0 mm2) and the whole female body (interval, 1.0 mm; pixel size, 1.0 mm2), using house-developed software to analyze the text string and voxel information for each of the structures. The density of each structure in the VK-phantom was calculated based on Virtual Population and a publication of the International Commission on Radiological Protection. In the future, we will standardize the size of each structure in the VK-phantoms. If the VK-phantoms are standardized and the mass density of each structure is precisely known, researchers will be able to measure the exact absorption rate of electromagnetic radiation in specific organs and tissues of the whole body. PMID:29659988

VK-phantom male with 583 structures and female with 459 structures, based on the sectioned images of a male and a female, for computational dosimetry.

PubMed

Park, Jin Seo; Jung, Yong Wook; Choi, Hyung-Do; Lee, Ae-Kyoung

2018-05-01

The anatomical structures in most phantoms are classified according to tissue properties rather than according to their detailed structures, because the tissue properties, not the detailed structures, are what is considered important. However, if a phantom does not have detailed structures, the phantom will be unreliable because different tissues can be regarded as the same. Thus, we produced the Visible Korean (VK) -phantoms with detailed structures (male, 583 structures; female, 459 structures) based on segmented images of the whole male body (interval, 1.0 mm; pixel size, 1.0 mm2) and the whole female body (interval, 1.0 mm; pixel size, 1.0 mm2), using house-developed software to analyze the text string and voxel information for each of the structures. The density of each structure in the VK-phantom was calculated based on Virtual Population and a publication of the International Commission on Radiological Protection. In the future, we will standardize the size of each structure in the VK-phantoms. If the VK-phantoms are standardized and the mass density of each structure is precisely known, researchers will be able to measure the exact absorption rate of electromagnetic radiation in specific organs and tissues of the whole body.

Structure and molecular dynamics simulation of archaeal prefoldin: the molecular mechanism for binding and recognition of nonnative substrate proteins.

PubMed

Ohtaki, Akashi; Kida, Hiroshi; Miyata, Yusuke; Ide, Naoki; Yonezawa, Akihiro; Arakawa, Takatoshi; Iizuka, Ryo; Noguchi, Keiichi; Kita, Akiko; Odaka, Masafumi; Miki, Kunio; Yohda, Masafumi

2008-02-29

Prefoldin (PFD) is a heterohexameric molecular chaperone complex in the eukaryotic cytosol and archaea with a jellyfish-like structure containing six long coiled-coil tentacles. PFDs capture protein folding intermediates or unfolded polypeptides and transfer them to group II chaperonins for facilitated folding. Although detailed studies on the mechanisms for interaction with unfolded proteins or cooperation with chaperonins of archaeal PFD have been performed, it is still unclear how PFD captures the unfolded protein. In this study, we determined the X-ray structure of Pyrococcus horikoshii OT3 PFD (PhPFD) at 3.0 A resolution and examined the molecular mechanism for binding and recognition of nonnative substrate proteins by molecular dynamics (MD) simulation and mutation analyses. PhPFD has a jellyfish-like structure with six long coiled-coil tentacles and a large central cavity. Each subunit has a hydrophobic groove at the distal region where an unfolded substrate protein is bound. During MD simulation at 330 K, each coiled coil was highly flexible, enabling it to widen its central cavity and capture various nonnative proteins. Docking MD simulation of PhPFD with unfolded insulin showed that the beta subunit is essentially involved in substrate binding and that the alpha subunit modulates the shape and width of the central cavity. Analyses of mutant PhPFDs with amino acid replacement of the hydrophobic residues of the beta subunit in the hydrophobic groove have shown that beta Ile107 has a critical role in forming the hydrophobic groove.

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

PubMed

Janson, Harald; Kjelsberg, Ellen

2006-01-01

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

GHGRP Natural Gas and Natural Gas Liquids Suppliers Sector Industrial Profile

EPA Pesticide Factsheets

EPA's Greenhouse Gas Reporting Program periodically produces detailed profiles of the various industries that report under the program. The profiles available for download below contain detailed analyses for the Natural Gas and Natural Gas Suppliers indust

Non-target screening analyses of organic contaminants in river systems as a base for monitoring measures

NASA Astrophysics Data System (ADS)

Schwarzbauer, J.

2009-04-01

Organic contaminants discharged to the aquatic environment exhibit a high diversity with respect to their molecular structures and the resulting physico-chemical properties. The chemical analysis of anthropogenic contamination in river systems is still an important feature, especially with respect to (i) the identification and structure elucidation of novel contaminants, (ii) to the characterisation of their environmental behaviour and (iii) to their risk for natural systems. A huge proportion of riverine contamination is caused by low-molecular weight organic compounds, like pesticides plasticizers, pharmaceuticals, personal care products, technical additives etc. Some of them, like PCB or PAH have already been investigated thoroughly and, consequently, their behaviour in aqueous systems is very well described. Although analyses on organic substances in river water traditionally focused on selected pollutants, in particular on common priority pollutants which are monitored routinely, the occurrence of further contaminants, e.g. pharmaceuticals, personal care products or chelating agents has received increasing attention within the last decade. Accompanied, screening analyses revealing an enormous diversity of low-molecular weight organic contaminants in waste water effluents and river water become more and more noticed. Since many of these substances have been rarely noticed so far, it will be an important task for the future to study their occurrence and fate in natural environments. Further on, it should be a main issue of environmental studies to provide a comprehensive view on the state of pollution of river water, in particular with respect to lipophilic low molecular weight organic contaminants. However, such non-target-screening analyses has been performed only rarely in the past. Hence, we applied extended non-target screening analyses on longitudinal sections of the rivers Rhine, Rur and Lippe (Germany) on the base of GC/MS analyses. The investigations revealed complex pattern of anthropogenic contaminants comprising a lot of still unnoticed pollutants (e.g. specific sulfones, trifluoromethyl substituted substances, nitrogen heterocycles etc.) or still unidentified compounds (such as selected brominated aromatics) of obviously high environmental relevance. In this presentation, a selection of several different contaminants will be discussed in detail comprising their emission sources, their emission behaviour, their fate within the river water bodies and in particular their structural properties. Generally. this investigation demonstrated the need to expand our analytical focus on a broader spectrum of organic contaminants, in particular to build up an adapted base for advanced monitoring studies.

Structure and dynamics of human vimentin intermediate filament dimer and tetramer in explicit and implicit solvent models.

PubMed

Qin, Zhao; Buehler, Markus J

2011-01-01

Intermediate filaments, in addition to microtubules and microfilaments, are one of the three major components of the cytoskeleton in eukaryotic cells, and play an important role in mechanotransduction as well as in providing mechanical stability to cells at large stretch. The molecular structures, mechanical and dynamical properties of the intermediate filament basic building blocks, the dimer and the tetramer, however, have remained elusive due to persistent experimental challenges owing to the large size and fibrillar geometry of this protein. We have recently reported an atomistic-level model of the human vimentin dimer and tetramer, obtained through a bottom-up approach based on structural optimization via molecular simulation based on an implicit solvent model (Qin et al. in PLoS ONE 2009 4(10):e7294, 9). Here we present extensive simulations and structural analyses of the model based on ultra large-scale atomistic-level simulations in an explicit solvent model, with system sizes exceeding 500,000 atoms and simulations carried out at 20 ns time-scales. We report a detailed comparison of the structural and dynamical behavior of this large biomolecular model with implicit and explicit solvent models. Our simulations confirm the stability of the molecular model and provide insight into the dynamical properties of the dimer and tetramer. Specifically, our simulations reveal a heterogeneous distribution of the bending stiffness along the molecular axis with the formation of rather soft and highly flexible hinge-like regions defined by non-alpha-helical linker domains. We report a comparison of Ramachandran maps and the solvent accessible surface area between implicit and explicit solvent models, and compute the persistence length of the dimer and tetramer structure of vimentin intermediate filaments for various subdomains of the protein. Our simulations provide detailed insight into the dynamical properties of the vimentin dimer and tetramer intermediate filament building blocks, which may guide the development of novel coarse-grained models of intermediate filaments, and could also help in understanding assembly mechanisms.

Subatomic and atomic crystallographic studies of aldose reductase: implications for inhibitor binding.

PubMed

Podjarny, A; Cachau, R E; Schneider, T; Van Zandt, M; Joachimiak, A

2004-04-01

The determination of several of aldose reductase-inhibitor complexes at subatomic resolution has revealed new structural details, including the specific interatomic contacts involved in inhibitor binding. In this article, we review the structures of the complexes of ALR2 with IDD 594 (resolution: 0.66 angstrom, IC50 (concentration of the inhibitor that produced half-maximal effect): 30 nM, space group: P2(1)), IDD 393 (resolution: 0.90 angstrom, IC50: 6 nM, space group: P1), fidarestat (resolution: 0.92 angstrom, IC50: 9 nM, space group: P2(1)) and minalrestat (resolution: 1.10 angstrom, IC50: 73 nM, space group: P1). The structures are compared and found to be highly reproductible within the same space group (root mean square (RMS) deviations: 0.15 approximately 0.3 angstrom). The mode of binding of the carboxylate inhibitors IDD 594 and IDD 393 is analysed. The binding of the carboxylate head can be accurately determined by the subatomic resolution structures, since both the protonation states and the positions of the atoms are very precisely known. The differences appear in the binding in the specificity pocket. The high-resolution structures explain the differences in IC50, which are confirmed both experimentally by mass spectrometry measures of VC50 and theoretically by free energy perturbation calculations. The binding of the cyclic imide inhibitors fidarestat and minalrestat is also described, focusing on the observation of a Cl(-) ion which binds simultaneously with fidarestat. The presence of this anion, binding also to the active site residue His110, leads to a mechanism in which the inhibitor can bind in a neutral state and then become charged inside the active site pocket. This mechanism can explain the excellent in vivo properties of cyclic imide inhibitors. In summary, the complete and detailed information supplied by the subatomic resolution structures can explain the differences in binding energy of the different inhibitors.

Carboplatin binding to histidine

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

Tanley, Simon W. M.; Diederichs, Kay; Kroon-Batenburg, Loes M. J.

An X-ray crystal structure showing the binding of purely carboplatin to histidine in a model protein has finally been obtained. This required extensive crystallization trials and various novel crystal structure analyses. Carboplatin is a second-generation platinum anticancer agent used for the treatment of a variety of cancers. Previous X-ray crystallographic studies of carboplatin binding to histidine (in hen egg-white lysozyme; HEWL) showed the partial conversion of carboplatin to cisplatin owing to the high NaCl concentration used in the crystallization conditions. HEWL co-crystallizations with carboplatin in NaBr conditions have now been carried out to confirm whether carboplatin converts to the brominemore » form and whether this takes place in a similar way to the partial conversion of carboplatin to cisplatin observed previously in NaCl conditions. Here, it is reported that a partial chemical transformation takes place but to a transplatin form. Thus, to attempt to resolve purely carboplatin binding at histidine, this study utilized co-crystallization of HEWL with carboplatin without NaCl to eliminate the partial chemical conversion of carboplatin. Tetragonal HEWL crystals co-crystallized with carboplatin were successfully obtained in four different conditions, each at a different pH value. The structural results obtained show carboplatin bound to either one or both of the N atoms of His15 of HEWL, and this particular variation was dependent on the concentration of anions in the crystallization mixture and the elapsed time, as well as the pH used. The structural details of the bound carboplatin molecule also differed between them. Overall, the most detailed crystal structure showed the majority of the carboplatin atoms bound to the platinum centre; however, the four-carbon ring structure of the cyclobutanedicarboxylate moiety (CBDC) remained elusive. The potential impact of the results for the administration of carboplatin as an anticancer agent are described.« less

Probing the structural dynamics of the CRISPR-Cas9 RNA-guided DNA-cleavage system by coarse-grained modeling.

PubMed

Zheng, Wenjun

2017-02-01

In the adaptive immune systems of many bacteria and archaea, the Cas9 endonuclease forms a complex with specific guide/scaffold RNA to identify and cleave complementary target sequences in foreign DNA. This DNA targeting machinery has been exploited in numerous applications of genome editing and transcription control. However, the molecular mechanism of the Cas9 system is still obscure. Recently, high-resolution structures have been solved for Cas9 in different structural forms (e.g., unbound forms, RNA-bound binary complexes, and RNA-DNA-bound tertiary complexes, corresponding to an inactive state, a pre-target-bound state, and a cleavage-competent or product state), which offered key structural insights to the Cas9 mechanism. To further probe the structural dynamics of Cas9 interacting with RNA and DNA at the amino-acid level of details, we have performed systematic coarse-grained modeling using an elastic network model and related analyses. Our normal mode analysis predicted a few key modes of collective motions that capture the observed conformational changes featuring large domain motions triggered by binding of RNA and DNA. Our flexibility analysis identified specific regions with high or low flexibility that coincide with key functional sites (such as DNA/RNA-binding sites, nuclease cleavage sites, and key hinges). We also identified a small set of hotspot residues that control the energetics of functional motions, which overlap with known functional sites and offer promising targets for future mutagenesis efforts to improve the specificity of Cas9. Finally, we modeled the conformational transitions of Cas9 from the unbound form to the binary complex and then the tertiary complex, and predicted a distinct sequence of domain motions. In sum, our findings have offered rich structural and dynamic details relevant to the Cas9 machinery, and will guide future investigation and engineering of the Cas9 systems. Proteins 2017; 85:342-353. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Organic Matrix-related mineralization of sea urchin spicules, spines, test and teeth

PubMed Central

Veis, Arthur

2012-01-01

The camarodont echinoderms have five distinct mineralized skeletal elements: the embryonic spicules and mature test; spines, lantern stereom and teeth. The embryonic spicules are transient structural elements of the larval skeleton whereas the spines and test plates are permanent structural elements. The teeth are continuously growing structures, matching wear at the incisal adoral end to the rate of new production at the aboral plumula. The mineral in all cases is a high magnesium calcite, but the magnesium content, crystal shape and growth pattern is different in each type of skeletal element. The crystal shape and organization into macro structures depends on the presence of an organic matrix which creates the spaces and controls the environments for crystal initiation and growth. The detailed mechanisms of crystal regulation are not known, but much work has been done on defining the proteins which appear to be involved. Phosphorylated matrix proteins may be of special importance. Biochemical isolation of proteins, construction and analysis of cDNA libraries, and most recently high-throughput proteomic analysis in conjunction with the sequencing of the complete genome have yielded a detailed list of protein components likely to be involved in the mineralization processes. However, the proteome-genome analyses have not yet provided insight into the mechanisms of crystallization, calcite composition, and orientation applicable to all skeletal elements. Although the embryonic pluteus and their spicules are the best studied system, it appears that spicule is not representative of the mature skeletal elements. Now armed with the compositions of most of the proteins involved, the next phase of research will have to focus on the specific localization of the proteins and individual biochemistries of each system with regard to mineral content and placement. PMID:21622194

Significant impact of electrical storm on mortality in patients with structural heart disease and an implantable cardiac defibrillator.

PubMed

Noda, Takashi; Kurita, Takashi; Nitta, Takashi; Chiba, Yasutaka; Furushima, Hiroshi; Matsumoto, Naoki; Toyoshima, Takeshi; Shimizu, Akihiko; Mitamura, Hideo; Okumura, Ken; Ohe, Tohru; Aizawa, Yoshifusa

2018-03-15

Electrical storm (E-Storm), defined as multiple episodes of ventricular arrhythmias within a short period of time, is an important clinical problem in patients with an implantable cardiac defibrillator (ICD) including cardiac resynchronization therapy devices capable of defibrillation. The detailed clinical aspects of E-Storm in large populations especially for non-ischemic dilated cardiomyopathy (DCM), however, remain unclear. This study was performed to elucidate the detailed clinical aspects of E-Storm, such as its predictors and prevalence among patients with structural heart disease including DCM. We analyzed the data of the Nippon Storm Study, which was a prospective observational study involving 1570 patients enrolled from 48 ICD centers. For the purpose of this study, we evaluated 1274 patients with structural heart disease, including 482 (38%) patients with ischemic heart disease (IHD) and 342 (27%) patients with DCM. During a median follow-up of 28months (interquartile range: 23 to 33months), E-Storm occurred in 84 (6.6%) patients. The incidence of E-Storm was not significantly different between patients with IHD and patients with DCM (log-rank p=0.52). Proportional hazard regression analyses showed that ICD implantation for secondary prevention of sudden cardiac death (p=0.0001) and QRS width (p=0.015) were the independent risk factors for E-storm. In a comparison between patients with and without E-Storm, survival curves after adjustment for clinical characteristics showed a significant difference in mortality. E-Storm was associated with subsequent mortality in patients with structural heart disease including DCM. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Initiation of continental accretion in the Betic-Rif domain

NASA Astrophysics Data System (ADS)

Maxime, Daudet; Frederic, Mouthereau; Stéphanie, Brichau; Ana, Crespo-Blanc; Arnaud, Vacherat

2017-04-01

The Betic - Rif cordillera in southern Spain and northern Morocco, respectively, form one of the tightest orogenic arc on Earth. The formation of this arcuate orogenic belt resulted from the westward migration of the Alboran crustal domain, constituted by the internal zone of the orogeny and the basement of the Alboran back-arc basin, that collided with the rifted margins of Iberia and Africa at least since the early Miocene. This collision is intimately linked to the post-35-30Ma regional slab roll-back and back-arc extension in the western Mediterranean region. The geodynamics of the Betic-Rif domain, which is of great importance for the paleogeographic reconstructions of the Tethys-Altantic and the Mediterranean sea, is still largely debated. Answers will come from a more detailed structural analyses, including refinement of the time-temperature paths and kinematics of the main structural units, which is one of the main objectives of the OROGEN research project, co-financed by BRGM, TOTAL & CNRS. In this study, we focus on the well-developed flysch-type sediments now accreted in the Betics-Rif but initially deposited in a basin, north of the african margin and on the iberian margin from the Early Cretaceous to the Early Miocene. Using low-temperature thermochronology (fission-track and (U-Th)/He analyses) combined with zircon U-Pb geochronology on the flyschs deposited on the most distal part of the margin, we aim to constrain the thermal history of both the source rocks and accreted thrust sheets at the earliest stages of continental accretion. Sample have been collected in flyschs series ranging from Mesozoic, Paleogene to Neogene ages. Additional samples have been collected in the Rif where Cretaceous series are more developed. Combined with a detailed structural analysis, LT thermochronological constraints will refine the kinematics of thrust units when continental accretion started before the final thrust emplacement occurred in the Early Miocene. Considering a selection of regional geological cross-sections from which a minimum amount of shortening will be derived, our results will be integrated in a tectonic reconstruction of the region.

36. ARCHITECTURAL AND STRUCTURAL DETAILS OF ELEVATOR HOUSING, NaK HEATER ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

36. ARCHITECTURAL AND STRUCTURAL DETAILS OF ELEVATOR HOUSING, NaK HEATER STACK ROOF FLASHING, HOOD ELEVATION DETAIL. INCLUDES PARTIAL 'BILL OF MATERIAL.' INEEL DRAWING NUMBER 200-0633-00-287-106361. FLUOR NUMBER 5775-CPP-633-A-11. - Idaho National Engineering Laboratory, Old Waste Calcining Facility, Scoville, Butte County, ID

A design assessment of multiwall, metallic stand-off, and RSI reusable thermal protection systems including space shuttle application

NASA Technical Reports Server (NTRS)

Jackson, L. R.; Dixon, S. C.

1980-01-01

The design and assessment of reusable surface insulation (RSI), metallic stand off and multiwall thermal protection systems (TPS) is discussed. Multiwall TPS is described in some detail, and analyses useful for design of multiwall are included. Results indicate that multiwall has the potential to satisfy the TPS design goals better than the other systems. The total mass of the stand-off TPS and of the metallic systems require less primary structure mass than the RSI system, since the nonbuckling skin criteria required for RSI may be removed. Continued development of multiwall TPS is required to verify its potential and to provide the necessary data base for design.

Spectroscopy of baryon resonances

NASA Astrophysics Data System (ADS)

Beck, Reinhard; Thoma, Ulrike

2017-01-01

Within project A.1 of the SFB/TR16 "Subnuclear Structure of Matter", a large amount of data on photoproduction reactions has been accumulated at the Bonn Electron Stretcher Accelerator ELSA with the CBELSA/TAPS detector and was analysed in detail. In particular, data have been taken with unpolarized or with linearly or circularly polarized photons and with unpolarized or with longitudinally or transversely polarized protons. Photoproduction off neutrons was studied to determine the helicity amplitudes for the excitation of resonances off neutrons. In a partial wave analysis of the data, new resonances have been found and the properties of new and of known resonances have been determined, including the measurement of partial widths of so far unmeasured decay modes.