NATURE OF CUMULATIVE IMPACTS ON BIOTIC DIVERSITY OF WETLAND VERTEBRATES

EPA Science Inventory

There is no longer any doubt that cumulative impacts have important effects on wetland vertebrates. he interactions of species diversity and community structure produce a complex pattern in which environmental impacts can play a highly significant role. ariety of examples shows h...

Evaluating the impact of investments in information technology on structural inertia in health organizations.

PubMed

Bewley, Lee W

2010-01-01

Structural inertia is the overall capacity of an organization to adapt within a market environment. This paper reviews the impact of healthcare investments in information management/information technology (IM/IT) on the strategic management concept of structural inertia. Research indicates that healthcare executives should consider the relative state of structural inertia for their firms and match them with potential IM/IT solutions. Additionally, organizations should favorably consider IM/IT solutions that are comparatively less complex.

Tool for simplifying the complex interactions within resilient communities

NASA Astrophysics Data System (ADS)

Stwertka, C.; Albert, M. R.; White, K. D.

2016-12-01

In recent decades, scientists have observed and documented impacts from climate change that will impact multiple sectors, will be impacted by decisions from multiple sectors, and will change over time. This complex human-engineered system has a large number of moving, interacting parts, which are interdependent and evolve over time towards their purpose. Many of the existing resilience frameworks and vulnerability frameworks focus on interactions between the domains, but do not include the structure of the interactions. We present an engineering systems approach to investigate the structural elements that influence a community's ability to be resilient. In this presentation we will present and analyze four common methods for building community resilience, utilizing our common framework. For several existing case studies we examine the stress points in the system and identify the impacts on the outcomes from the case studies. In ongoing research we will apply our system tool to a new case in the field.

Disentangling the pathways of land use impacts on the functional structure of fish assemblages in Amazon streams

EPA Science Inventory

Agricultural land use is a primary driver of environmental impacts on streams. However, the causal processes that shape these impacts operate through multiple pathways and at several spatial scales. This complexity undermines the development of more effective management approache...

HIV risk, partner violence, and relationship power among Filipino young women: testing a structural model.

PubMed

Lucea, Marguerite B; Hindin, Michelle J; Kub, Joan; Campbell, Jacquelyn C

2012-01-01

A person's ability to minimize HIV risk is embedded in a complex, multidimensional context. In this study, we tested a model of how relationship power impacts IPV victimization, which in turn impacts HIV risk behaviors. We analyzed data from 474 young adult women (aged 15-31) in Cebu Province, Philippines, using structural equation modeling, and demonstrated good fit for the models. High relationship power is directly associated with increased IPV victimization, and IPV victimization is positively associated with increased HIV risk. We highlight in this article the complex dynamics to consider in HIV risk prevention among these young women.

HIV Risk, Partner Violence, and Relationship Power Among Filipino Young Women: Testing a Structural Model

PubMed Central

LUCEA, MARGUERITE B.; HINDIN, MICHELLE J.; KUB, JOAN; CAMPBELL, JACQUELYN C.

2012-01-01

A person’s ability to minimize HIV risk is embedded in a complex, multidimensional context. In this study, we tested a model of how relationship power impacts IPV victimization, which in turn impacts HIV risk behaviors. We analyzed data from 474 young adult women (aged 15–31) in Cebu Province, Philippines, using structural equation modeling, and demonstrated good fit for the models. High relationship power is directly associated with increased IPV victimization, and IPV victimization is positively associated with increased HIV risk. We highlight in this article the complex dynamics to consider in HIV risk prevention among these young women. PMID:22420674

Site-Selective Benzannulation of N-Heterocycles in Bidentate Ligands Leads to Blue-Shifted Emission from [( P^N)Cu]2(μ-X)2 Dimers.

PubMed

Mondal, Rajarshi; Lozada, Issiah B; Davis, Rebecca L; Williams, J A Gareth; Herbert, David E

2018-05-07

Benzannulated bidentate pyridine/phosphine ( P^N) ligands bearing quinoline or phenanthridine (3,4-benzoquinoline) units have been prepared, along with their halide-bridged, dimeric Cu(I) complexes of the form [( P^N)Cu] 2 (μ-X) 2 . The copper complexes are phosphorescent in the orange-red region of the spectrum in the solid-state under ambient conditions. Structural characterization in solution and the solid-state reveals a flexible conformational landscape, with both diamond-like and butterfly motifs available to the Cu 2 X 2 cores. Comparing the photophysical properties of complexes of (quinolinyl)phosphine ligands with those of π-extended (phenanthridinyl)phosphines has revealed a counterintuitive impact of site-selective benzannulation. Contrary to conventional assumptions regarding π-extension and a bathochromic shift in the lowest energy absorption maxima, a blue shift of nearly 40 nm in the emission wavelength is observed for the complexes with larger ligand π-systems, which is assigned as phosphorescence on the basis of emission energies and lifetimes. Comparison of the ground-state and triplet excited state structures optimized from DFT and TD-DFT calculations allows attribution of this effect to a greater rigidity for the benzannulated complexes resulting in a higher energy emissive triplet state, rather than significant perturbation of orbital energies. This study reveals that ligand structure can impact photophysical properties for emissive molecules by influencing their structural rigidity, in addition to their electronic structure.

Deep drilling into the Chesapeake Bay impact structure

USGS Publications Warehouse

Gohn, G.S.; Koeberl, C.; Miller, K.G.; Reimold, W.U.; Browning, J.V.; Cockell, C.S.; Horton, J. Wright; Kenkmann, T.; Kulpecz, A.A.; Powars, D.S.; Sanford, W.E.; Voytek, M.A.

2008-01-01

Samples from a 1.76-kilometer-deep corehole drilled near the center of the late Eocene Chesapeake Bay impact structure (Virginia, USA) reveal its geologic, hydrologic, and biologic history. We conducted stratigraphic and petrologic analyses of the cores to elucidate the timing and results of impact-melt creation and distribution, transient-cavity collapse, and ocean-water resurge. Comparison of post-impact sedimentary sequences inside and outside the structure indicates that compaction of the crater fill influenced long-term sedimentation patterns in the mid-Atlantic region. Salty connate water of the target remains in the crater fill today, where it poses a potential threat to the regional groundwater resource. Observed depth variations in microbial abundance indicate a complex history of impact-related thermal sterilization and habitat modification, and subsequent post-impact repopulation.

Deep drilling into the Chesapeake Bay impact structure.

PubMed

Gohn, G S; Koeberl, C; Miller, K G; Reimold, W U; Browning, J V; Cockell, C S; Horton, J W; Kenkmann, T; Kulpecz, A A; Powars, D S; Sanford, W E; Voytek, M A

2008-06-27

Samples from a 1.76-kilometer-deep corehole drilled near the center of the late Eocene Chesapeake Bay impact structure (Virginia, USA) reveal its geologic, hydrologic, and biologic history. We conducted stratigraphic and petrologic analyses of the cores to elucidate the timing and results of impact-melt creation and distribution, transient-cavity collapse, and ocean-water resurge. Comparison of post-impact sedimentary sequences inside and outside the structure indicates that compaction of the crater fill influenced long-term sedimentation patterns in the mid-Atlantic region. Salty connate water of the target remains in the crater fill today, where it poses a potential threat to the regional groundwater resource. Observed depth variations in microbial abundance indicate a complex history of impact-related thermal sterilization and habitat modification, and subsequent post-impact repopulation.

Lattice-cell orientation disorder in complex spinel oxides

DOE PAGES

Chen, Yan; Cheng, Yongqiang; Li, Juchuan; ...

2016-11-07

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi 0.5Mn 1.5O 4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for themore » local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.« less

Introduction to fatty acids and lipids.

PubMed

Burdge, Graham C; Calder, Philip C

2015-01-01

The purpose of this article is to describe the structure, function and metabolism of fatty acids and lipids that are of particular importance in the context of parenteral nutrition. Lipids are a heterogeneous group of molecules that share the common property of hydrophobicity. Lipids range in structure from simple short hydrocarbon chains to more complex molecules, including triacylglycerols, phospholipids and sterols and their esters. Lipids within each class may differ structurally. Fatty acids are common components of complex lipids, and these differ according to chain length and the presence, number and position of double bonds in the hydrocarbon chain. Structural variation among complex lipids and among fatty acids gives rise to functional differences that result in different impacts upon metabolism and upon cell and tissue responses. Fatty acids and complex lipids exhibit a variety of structural variations that influence their metabolism and their functional effects. © 2015 S. Karger AG, Basel.

Characterization of branch complexity by fractal analyses

USGS Publications Warehouse

Alados, C.L.; Escos, J.; Emlen, J.M.; Freeman, D.C.

1999-01-01

The comparison between complexity in the sense of space occupancy (box-counting fractal dimension D(c) and information dimension D1) and heterogeneity in the sense of space distribution (average evenness index f and evenness variation coefficient J(cv)) were investigated in mathematical fractal objects and natural branch structures. In general, increased fractal dimension was paired with low heterogeneity. Comparisons between branch architecture in Anthyllis cytisoides under different slope exposure and grazing impact revealed that branches were more complex and more homogeneously distributed for plants on northern exposures than southern, while grazing had no impact during a wet year. Developmental instability was also investigated by the statistical noise of the allometric relation between internode length and node order. In conclusion, our study demonstrated that fractal dimension of branch structure can be used to analyze the structural organization of plants, especially if we consider not only fractal dimension but also shoot distribution within the canopy (lacunarity). These indexes together with developmental instability analyses are good indicators of growth responses to the environment.

Characterization of branch complexity by fractal analyses and detect plant functional adaptations

USGS Publications Warehouse

Alados, C.L.; Escos, J.; Emlen, J.M.; Freeman, D.C.

1999-01-01

The comparison between complexity in the sense of space occupancy (box-counting fractal dimension Dc and information dimension DI ) and heterogeneity in the sense of space distribution (average evenness index and evenness variation coefficient JCV) were investigated in mathematical fractal objects and natural branch ¯ J structures. In general, increased fractal dimension was paired with low heterogeneity. Comparisons between branch architecture in Anthyllis cytisoides under different slope exposure and grazing impact revealed that branches were more complex and more homogeneously distributed for plants on northern exposures than southern, while grazing had no impact during a wet year. Developmental instability was also investigated by the statistical noise of the allometric relation between internode length and node order. In conclusion, our study demonstrated that fractal dimension of branch structure can be used to analyze the structural organization of plants, especially if we consider not only fractal dimension but also shoot distribution within the canopy (lacunarity). These indexes together with developmental instability analyses are good indicators of growth responses to the environment.

The impacts of mobile fishing gear on seafloor habitats in the gulf of maine (Northwest Atlantic): Implications for conservation of fish populations

USGS Publications Warehouse

Auster, P.J.; Malatesta, R.J.; Langton, R.W.; Watling, Les; Valentine, P.C.; Donaldson, C.L.S.; Langton, E.W.; Shepard, A.N.; Babb, Ivar G.

1996-01-01

Fishing gear alters seafloor habitats, but the extent of these alterations, and their effects, have not been quantified extensively in the northwest Atlantic. Understanding the extent of these impacts, and their effects on populations of living marine resources, is needed to properly manage current and future levels of fishing effort and fishing power. For example, the entire U.S. side of the Gulf of Maine was impacted annually by mobile fishing gear between 1984 and 1990, based on calculations of area swept by trawl and dredge gear. Georges Bank was impacted three to nearly four times annually during the same period. Studies at three sites in the Gulf of Maine (off Swans Island, Jeffreys Bank, and Stellwagen Bank) showed that mobile fishing gear altered the physical structure (=complexity) of benthic habitats. Complexity was reduced by direct removal of biogenic (e.g., sponges, hydrozoans, bryozoans, amphipod tubes, holothurians, shell aggregates) and sedimentary (e.g., sand waves, depressions) structures. Also, removal of organisms that create structures (e.g., crabs, scallops) indirectly reduced complexity. Reductions in habitat complexity may lead to increased predation on juveniles of harvested species and ultimately recruitment to the harvestable stock. Because of a lack of reference sites, where use of mobile fishing is prohibited, no empirical studies have yet been conducted on a scale that could demonstrate population level effects of habitat-management options. If marine fisheries management is to evolve toward an ecosystem or habitat management approach, experiments are required on the effects of habitat change, both anthropogenic and natural.

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

NASA Technical Reports Server (NTRS)

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

1979-01-01

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

Digital Sequences and a Time Reversal-Based Impact Region Imaging and Localization Method

PubMed Central

Qiu, Lei; Yuan, Shenfang; Mei, Hanfei; Qian, Weifeng

2013-01-01

To reduce time and cost of damage inspection, on-line impact monitoring of aircraft composite structures is needed. A digital monitor based on an array of piezoelectric transducers (PZTs) is developed to record the impact region of impacts on-line. It is small in size, lightweight and has low power consumption, but there are two problems with the impact alarm region localization method of the digital monitor at the current stage. The first one is that the accuracy rate of the impact alarm region localization is low, especially on complex composite structures. The second problem is that the area of impact alarm region is large when a large scale structure is monitored and the number of PZTs is limited which increases the time and cost of damage inspections. To solve the two problems, an impact alarm region imaging and localization method based on digital sequences and time reversal is proposed. In this method, the frequency band of impact response signals is estimated based on the digital sequences first. Then, characteristic signals of impact response signals are constructed by sinusoidal modulation signals. Finally, the phase synthesis time reversal impact imaging method is adopted to obtain the impact region image. Depending on the image, an error ellipse is generated to give out the final impact alarm region. A validation experiment is implemented on a complex composite wing box of a real aircraft. The validation results show that the accuracy rate of impact alarm region localization is approximately 100%. The area of impact alarm region can be reduced and the number of PZTs needed to cover the same impact monitoring region is reduced by more than a half. PMID:24084123

The structural inventory of a small complex impact crater: Jebel Waqf as Suwwan, Jordan

NASA Astrophysics Data System (ADS)

Kenkmann, Thomas; Sturm, Sebastian; Krüger, Tim; Salameh, Elias; Al-Raggad, Marwan; Konsul, Khalil

2017-07-01

The investigation of terrestrial impact structures is crucial to gain an in-depth understanding of impact cratering processes in the solar system. Here, we use the impact structure Jebel Waqf as Suwwan, Jordan, as a representative for crater formation into a layered sedimentary target with contrasting rheology. The complex crater is moderately eroded (300-420 m) with an apparent diameter of 6.1 km and an original rim fault diameter of 7 km. Based on extensive field work, IKONOS imagery, and geophysical surveying we present a novel geological map of the entire crater structure that provides the basis for structural analysis. Parametric scaling indicates that the structural uplift (250-350 m) and the depth of the ring syncline (<200 m) are anomalously low. The very shallow relief of the crater along with a NE vergence of the asymmetric central uplift and the enhanced deformations in the up-range and down-range sectors of the annular moat and crater rim suggest that the impact was most likely a very oblique one ( 20°). One of the major consequences of the presence of the rheologically anisotropic target was that extensive strata buckling occurred during impact cratering both on the decameter as well as on the hundred-meter scale. The crater rim is defined by a circumferential normal fault dipping mostly toward the crater. Footwall strata beneath the rim fault are bent-up in the down-range sector but appear unaffected in the up-range sector. The hanging wall displays various synthetic and antithetic rotations in the down-range sector but always shows antithetic block rotation in the up-range sector. At greater depth reverse faulting or folding is indicated at the rim indicating that the rim fault was already formed during the excavation stage.

The scaling of complex craters

NASA Technical Reports Server (NTRS)

Croft, S. K.

1985-01-01

The empirical relation between the transient crater diameter (Dg) and final crater diameter (Dr) of complex craters and basins is estimated using cumulative terrace widths, central uplift diameters, continuous ejecta radii, and transient crater reconstructions determined from lunar and terrestrial impact structures. The ratio Dg/Dr is a power law function of Dr, decreasing uniformly from unity at the diameter of the simple-complex crater morphology transition to about 0.5 for large multiring basins like Imbrium on the moon. The empirical constants in the Dg/Dr relation are interpreted physically to mean that the position of the final rim relative to the transient crater, and hence the extent of collapse, is controlled or greatly influenced by the properties of the zone of dissociated material produced by the impact shock. The continuity of the Dg/Dr relation over the entire spectrum of morphologic types from complex craters to multiring basins implies that the rims of all these structures form in the same tectonic environment despite morphologic differences.

Typological diversity of tall buildings and complexes in relation to their functional structure

NASA Astrophysics Data System (ADS)

Generalov, Viktor P.; Generalova, Elena M.; Kalinkina, Nadezhda A.; Zhdanova, Irina V.

2018-03-01

The paper focuses on peculiarities of tall buildings and complexes, their typology and its formation in relation to their functional structure. The research is based on the analysis of tall buildings and complexes and identifies the following main functional elements of their formation: residential, administrative (office), hotel elements. The paper also considers the following services as «disseminated» in the space-planning structure: shops, medicine, entertainment, kids and sports facilities, etc., their location in the structure of the total bulk of the building and their impact on typological diversity. Research results include suggestions to add such concepts as «single-function tall buildings» and «mixed-use tall buildings and complexes» into the classification of tall buildings. In addition, if a single-function building or complex performs serving functions, it is proposed to add such concepts as «a residential tall building (complex) with provision of services», «an administrative (public) tall building (complex) with provision of services» into the classification of tall buildings. For mixed-use buildings and complexes the following terms are suggested: «a mixed-use tall building with provision of services», «a mixed-use tall complex with provision of services».

The Impact of Services on Economic Complexity: Service Sophistication as Route for Economic Growth.

PubMed

Stojkoski, Viktor; Utkovski, Zoran; Kocarev, Ljupco

2016-01-01

Economic complexity reflects the amount of knowledge that is embedded in the productive structure of an economy. By combining tools from network science and econometrics, a robust and stable relationship between a country's productive structure and its economic growth has been established. Here we report that not only goods but also services are important for predicting the rate at which countries will grow. By adopting a terminology which classifies manufactured goods and delivered services as products, we investigate the influence of services on the country's productive structure. In particular, we provide evidence that complexity indices for services are in general higher than those for goods, which is reflected in a general tendency to rank countries with developed service sector higher than countries with economy centred on manufacturing of goods. By focusing on country dynamics based on experimental data, we investigate the impact of services on the economic complexity of countries measured in the product space (consisting of both goods and services). Importantly, we show that diversification of service exports and its sophistication can provide an additional route for economic growth in both developing and developed countries.

The Impact of Services on Economic Complexity: Service Sophistication as Route for Economic Growth

PubMed Central

Utkovski, Zoran; Kocarev, Ljupco

2016-01-01

Economic complexity reflects the amount of knowledge that is embedded in the productive structure of an economy. By combining tools from network science and econometrics, a robust and stable relationship between a country’s productive structure and its economic growth has been established. Here we report that not only goods but also services are important for predicting the rate at which countries will grow. By adopting a terminology which classifies manufactured goods and delivered services as products, we investigate the influence of services on the country’s productive structure. In particular, we provide evidence that complexity indices for services are in general higher than those for goods, which is reflected in a general tendency to rank countries with developed service sector higher than countries with economy centred on manufacturing of goods. By focusing on country dynamics based on experimental data, we investigate the impact of services on the economic complexity of countries measured in the product space (consisting of both goods and services). Importantly, we show that diversification of service exports and its sophistication can provide an additional route for economic growth in both developing and developed countries. PMID:27560133

Impact of cationic surfactant on the self-assembly of sodium caseinate.

PubMed

Vinceković, Marko; Curlin, Marija; Jurašin, Darija

2014-08-27

The impact of a cationic surfactant, dodecylammonium chloride (DDACl), on the self-assembly of sodium caseinate (SC) has been investigated by light scattering, zeta potential, and rheological measurements as well as by microscopy (transmission electron and confocal laser scanning microscopy). In SC dilute solutions concentration-dependent self-assembly proceeds through the formation of spherical associates and their aggregation into elongated structures composed of connected spheres. DDACl interacts with SC via its hydrophilic and hydrophobic groups, inducing changes in SC self-assembled structures. These changes strongly depend on the surfactant aggregation states (monomeric or micellar) as well as concentration ratio of both components, leading to the formation of soluble and insoluble complexes of nano- to microdimensions. DDACl monomers interact with SC self-assembled entities in a different way compared to their micelles. Surfactant monomers form soluble complexes (similar to surfactant mixed micelles) at lower SC concentration but insoluble gelatinous complexes at higher SC concentration. At surfactant micellar concentration soluble complexes with casein chains wrapped around surfactant micelles are formed. This study suggests that the use of proper cationic surfactant concentration will allow modification and control of structural changes of SC self-assembled entities.

Parasites Affect Food Web Structure Primarily through Increased Diversity and Complexity

PubMed Central

Dunne, Jennifer A.; Lafferty, Kevin D.; Dobson, Andrew P.; Hechinger, Ryan F.; Kuris, Armand M.; Martinez, Neo D.; McLaughlin, John P.; Mouritsen, Kim N.; Poulin, Robert; Reise, Karsten; Stouffer, Daniel B.; Thieltges, David W.; Williams, Richard J.; Zander, Claus Dieter

2013-01-01

Comparative research on food web structure has revealed generalities in trophic organization, produced simple models, and allowed assessment of robustness to species loss. These studies have mostly focused on free-living species. Recent research has suggested that inclusion of parasites alters structure. We assess whether such changes in network structure result from unique roles and traits of parasites or from changes to diversity and complexity. We analyzed seven highly resolved food webs that include metazoan parasite data. Our analyses show that adding parasites usually increases link density and connectance (simple measures of complexity), particularly when including concomitant links (links from predators to parasites of their prey). However, we clarify prior claims that parasites “dominate” food web links. Although parasites can be involved in a majority of links, in most cases classic predation links outnumber classic parasitism links. Regarding network structure, observed changes in degree distributions, 14 commonly studied metrics, and link probabilities are consistent with scale-dependent changes in structure associated with changes in diversity and complexity. Parasite and free-living species thus have similar effects on these aspects of structure. However, two changes point to unique roles of parasites. First, adding parasites and concomitant links strongly alters the frequency of most motifs of interactions among three taxa, reflecting parasites' roles as resources for predators of their hosts, driven by trophic intimacy with their hosts. Second, compared to free-living consumers, many parasites' feeding niches appear broader and less contiguous, which may reflect complex life cycles and small body sizes. This study provides new insights about generic versus unique impacts of parasites on food web structure, extends the generality of food web theory, gives a more rigorous framework for assessing the impact of any species on trophic organization, identifies limitations of current food web models, and provides direction for future structural and dynamical models. PMID:23776404

Parasites affect food web structure primarily through increased diversity and complexity

USGS Publications Warehouse

Dunne, Jennifer A.; Lafferty, Kevin D.; Dobson, Andrew P.; Hechinger, Ryan F.; Kuris, Armand M.; Martinez, Neo D.; McLaughlin, John P.; Mouritsen, Kim N.; Poulin, Robert; Reise, Karsten; Stouffer, Daniel B.; Thieltges, David W.; Williams, Richard J.; Zander, Claus Dieter

2013-01-01

Comparative research on food web structure has revealed generalities in trophic organization, produced simple models, and allowed assessment of robustness to species loss. These studies have mostly focused on free-living species. Recent research has suggested that inclusion of parasites alters structure. We assess whether such changes in network structure result from unique roles and traits of parasites or from changes to diversity and complexity. We analyzed seven highly resolved food webs that include metazoan parasite data. Our analyses show that adding parasites usually increases link density and connectance (simple measures of complexity), particularly when including concomitant links (links from predators to parasites of their prey). However, we clarify prior claims that parasites ‘‘dominate’’ food web links. Although parasites can be involved in a majority of links, in most cases classic predation links outnumber classic parasitism links. Regarding network structure, observed changes in degree distributions, 14 commonly studied metrics, and link probabilities are consistent with scale-dependent changes in structure associated with changes in diversity and complexity. Parasite and free-living species thus have similar effects on these aspects of structure. However, two changes point to unique roles of parasites. First, adding parasites and concomitant links strongly alters the frequency of most motifs of interactions among three taxa, reflecting parasites’ roles as resources for predators of their hosts, driven by trophic intimacy with their hosts. Second, compared to free-living consumers, many parasites’ feeding niches appear broader and less contiguous, which may reflect complex life cycles and small body sizes. This study provides new insights about generic versus unique impacts of parasites on food web structure, extends the generality of food web theory, gives a more rigorous framework for assessing the impact of any species on trophic organization, identifies limitations of current food web models, and provides direction for future structural and dynamical models.

Parasites affect food web structure primarily through increased diversity and complexity.

PubMed

Dunne, Jennifer A; Lafferty, Kevin D; Dobson, Andrew P; Hechinger, Ryan F; Kuris, Armand M; Martinez, Neo D; McLaughlin, John P; Mouritsen, Kim N; Poulin, Robert; Reise, Karsten; Stouffer, Daniel B; Thieltges, David W; Williams, Richard J; Zander, Claus Dieter

2013-01-01

Comparative research on food web structure has revealed generalities in trophic organization, produced simple models, and allowed assessment of robustness to species loss. These studies have mostly focused on free-living species. Recent research has suggested that inclusion of parasites alters structure. We assess whether such changes in network structure result from unique roles and traits of parasites or from changes to diversity and complexity. We analyzed seven highly resolved food webs that include metazoan parasite data. Our analyses show that adding parasites usually increases link density and connectance (simple measures of complexity), particularly when including concomitant links (links from predators to parasites of their prey). However, we clarify prior claims that parasites "dominate" food web links. Although parasites can be involved in a majority of links, in most cases classic predation links outnumber classic parasitism links. Regarding network structure, observed changes in degree distributions, 14 commonly studied metrics, and link probabilities are consistent with scale-dependent changes in structure associated with changes in diversity and complexity. Parasite and free-living species thus have similar effects on these aspects of structure. However, two changes point to unique roles of parasites. First, adding parasites and concomitant links strongly alters the frequency of most motifs of interactions among three taxa, reflecting parasites' roles as resources for predators of their hosts, driven by trophic intimacy with their hosts. Second, compared to free-living consumers, many parasites' feeding niches appear broader and less contiguous, which may reflect complex life cycles and small body sizes. This study provides new insights about generic versus unique impacts of parasites on food web structure, extends the generality of food web theory, gives a more rigorous framework for assessing the impact of any species on trophic organization, identifies limitations of current food web models, and provides direction for future structural and dynamical models.

Coral reef structural complexity provides important coastal protection from waves under rising sea levels.

PubMed

Harris, Daniel L; Rovere, Alessio; Casella, Elisa; Power, Hannah; Canavesio, Remy; Collin, Antoine; Pomeroy, Andrew; Webster, Jody M; Parravicini, Valeriano

2018-02-01

Coral reefs are diverse ecosystems that support millions of people worldwide by providing coastal protection from waves. Climate change and human impacts are leading to degraded coral reefs and to rising sea levels, posing concerns for the protection of tropical coastal regions in the near future. We use a wave dissipation model calibrated with empirical wave data to calculate the future increase of back-reef wave height. We show that, in the near future, the structural complexity of coral reefs is more important than sea-level rise in determining the coastal protection provided by coral reefs from average waves. We also show that a significant increase in average wave heights could occur at present sea level if there is sustained degradation of benthic structural complexity. Our results highlight that maintaining the structural complexity of coral reefs is key to ensure coastal protection on tropical coastlines in the future.

Coral reef structural complexity provides important coastal protection from waves under rising sea levels

PubMed Central

Harris, Daniel L.; Rovere, Alessio; Casella, Elisa; Power, Hannah; Canavesio, Remy; Collin, Antoine; Pomeroy, Andrew; Webster, Jody M.; Parravicini, Valeriano

2018-01-01

Coral reefs are diverse ecosystems that support millions of people worldwide by providing coastal protection from waves. Climate change and human impacts are leading to degraded coral reefs and to rising sea levels, posing concerns for the protection of tropical coastal regions in the near future. We use a wave dissipation model calibrated with empirical wave data to calculate the future increase of back-reef wave height. We show that, in the near future, the structural complexity of coral reefs is more important than sea-level rise in determining the coastal protection provided by coral reefs from average waves. We also show that a significant increase in average wave heights could occur at present sea level if there is sustained degradation of benthic structural complexity. Our results highlight that maintaining the structural complexity of coral reefs is key to ensure coastal protection on tropical coastlines in the future. PMID:29503866

Detection of internal cracks in rubber composite structures using an impact acoustic modality

NASA Astrophysics Data System (ADS)

Shen, Q.; Kurfess, T. R.; Omar, M.; Gramling, F.

2014-01-01

The objective of this study is to investigate the use of impact acoustic signals to non-intrusively inspect rubber composite structures for the presence of internal cracks, such as those found in an automobile tyre. Theoretical contact dynamic models for both integral and defective rubber structures are developed based on Hertz's impact model, further modified for rubber composite materials. The model generates the prediction of major impact dynamic quantities, namely the maximum impact force, impact duration and contact deformation; such parameters are also theoretically proven to be correlated with the presence of internal cracks. The tyre structures are simplified into cubic rubber blocks, to mitigate complexity for analytical modelling. Both impact force and impact sound signals are measured experimentally, and extraction of useful features from both signals for defect identification is achieved. The impact force produces two direct measurements of theoretical impact dynamic quantities. A good correlation between these experimental discriminators and the theoretical dynamic quantities provide validation for the contact dynamics models. Defect discriminators extracted from the impact sound are dependent on both time- and frequency-domain analyses. All the discriminators are closely connected with the theoretical dynamic quantities and experimentally verified as good indicators of internal cracks in rubber composite structures.

The impact of highly hydrophobic material on the structure of transferrin and its ability to bind iron.

PubMed

Drug, E; Fadeev, L; Gozin, M

2011-05-30

Transferrin is a blood-plasma glycoprotein, which is responsible for ferric-ion delivery and which functions as the most important ferric pool in the body. The reversible complexation process of Fe(3+) ions is associated with conformational changes of the three-dimensional structure of the transferrin. This conformational dynamics is attributed to a partial unfolding of the N-lobe of the protein and could be described as a transition between the holo to the apo forms of the transferrin. The aim of the present work is to demonstrate the unprecedented ability of the transferrin to solubilize various polycyclic aromatic hydrocarbons in physiological solution and to explore the impact of these materials on the structure and functionality of the transferrin. The synthesis and characterization of novel materials, consisting of complexes between human transferrin and hydrophobic high-carbon-content compounds, is reported here for the first time. Furthermore, it is shown that the preparation of these complexes from holo-transferrin leads to an irreversible loss of the ferric ions from the protein. Analytical studies of these novel complexes may shed a light on the mechanism by which transferrin could lose its ability to bind and thus to transport and store iron. These findings clearly demonstrate a possible damaging impact of various hydrophobic pollutants, which can enter an organism by inhalation or ingestion, on the functionality of the transferrin. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

A Comparative Analysis of the Magnetic Field Signals over Impact Structures on the Earth, Mars and the Moon

NASA Technical Reports Server (NTRS)

Isac, Anca; Mandea, Mioara; Purucker, Michael; Langlais, Benoit

2015-01-01

An improved description of magnetic fields of terrestrial bodies has been obtained from recent space missions, leading to a better characterization of the internal fields including those of crustal origin. One of the striking differences in their crustal magnetic field is the signature of large impact craters. A comparative analysis of the magnetic characteristics of these structures can shed light on the history of their respective planetary-scale magnetic dynamos. This has motivated us to identify impact craters and basins, first by their quasi-circular features from the most recent and detailed topographic maps and then from available global magnetic field maps. We have examined the magnetic field observed above 27 complex craters on the Earth, 34 impact basins on Mars and 37 impact basins on the Moon. For the first time, systematic trends in the amplitude and frequency of the magnetic patterns, inside and outside of these structures are observed for all three bodies. The demagnetization effects due to the impact shock wave and excavation processes have been evaluated applying the Equivalent Source Dipole forward modeling approach. The main characteristics of the selected impact craters are shown. The trends in their magnetic signatures are indicated, which are related to the presence or absence of a planetary-scale dynamo at the time of their formation and to impact processes. The low magnetic field intensity at center can be accepted as the prime characteristic of a hypervelocity impact and strongly associated with the mechanics of impact crater formation. In the presence of an active internal field, the process of demagnetization due to the shock impact is associated with post-impact remagnetization processes, generating a more complex magnetic signature.

The Employment of Structures and Work Patterns in Organizations Involved in Modern, Complex, Multi-National Operations

DTIC Science & Technology

2011-06-01

This has a particular impact on Command Management, through which the Commander establishes and maintains his headquarters structures, collaborations...tend to be organized in a ‘planning-centric’ fashion. Analysis tends to focus upon the interpretation of environmental phenomena (e.g. events...These will be used in the next stage to organize scenario development. for the future of the conflict region including the impact of the military

Calculation of ejecta thickness and structural uplift for Lunar and Martian complex crater rims.

NASA Astrophysics Data System (ADS)

Krüger, Tim; Sturm, Sebastian; Kenkmann, Thomas

2014-05-01

Crater rims of simple and complex craters have an elevation that is formed during the excavation stage of crater formation. For simple crater rims it is believed that the elevation is due to the sum of two equal parts, the thickness of the most proximal impact ejecta blanket (overturned flap) plus the thickness that results from plastic deformation including injection [1, 2, 3]. We intend to measure and quantify the kinematics of mass movements, especially concerning the question why complex impact craters have elevated crater rims like simple craters and precisely constrain the ejecta thickness and structural uplift of Lunar and Martian crater rims to understand what the main contributor to the elevated rim is [4]. We investigated a pristine 16 km-diameter unnamed Martian complex crater (21.52°N, 184.35°) and the lunar complex craters Bessel (21.8°N, 17.9°E) 16 km in diameter and Euler (23.3°N, 29.2°W) 28 km in diameter [5, 6]. In the crater walls of these craters we found columnar lavas on Mars and basaltic layering on the Moon. We used the uppermost layers of these exposed outcrops along the crater wall to determine the dip of the target rocks (Mars) and to distinguish between the bedrock and the overlying ejecta. We precisely measured the structural uplift and ejecta thickness of these complex craters. The unnamed crater on Mars has a mean rim height of 375.75 m, with a structural uplift of 233.88 m (57.44%), exposed as columnar lavas and the superposing ejecta has a height of 141.87 m (43.56%). For the Lunar complex crater Euler the mean total rim height is 790 ± 100 m, with a minimal structural uplift of 475 ± 100 m (60 ± 10 %), exposed as basaltic layers [e.g., 7, 8] and a maximum ejecta thickness of 315 ± 100 m (40 ± 10%). The Lunar complex crater Bessel has a total rim height of 430 ± 15 m , with a minimal structural uplift of 290 ± 15 m (67 ± 3 %), exposed as basaltic layers and a maximum ejecta thickness of 140 ± 115 m (33 ± 3%). For the Martian crater, the calculated structural uplift has a value of 215.83 m [9]. For Euler and Bessel crater calculated values for the structural uplift are 310.76 m and 262.8 m, respectively [10]. The structural uplift of the crater rim only by dike injection and plastic deformation in the underlying target material seems unlikely at distances ~1 km beyond the transient crater cavity. Other mechanisms, like reverse faulting, beginning in the excavation stage of crater formation, could be responsible for additional structural uplift of the crater rim. Nevertheless, our results show that structural uplift is a more dominant effect than ejecta emplacement for complex impact craters. References: [1] Melosh H.J. (1989) Oxford monographs on geology and geophysics, 11, Impact cratering: a geologic process. [2] Poelchau M.H. et al. (2009) JGR, 114, E01006. [3] Shoemaker E. M. (1963) The Solar System, 4, 301-336. [4] Settle M., and Head J.W. (1977) Icarus, v. 31, p. 123. [5] Sturm, S. et al. (2014) LPSC 45, #1801. [6] Krüger T. et al. (2014) LPSC 45, #1834. [7] Hiesinger H. et al. (2002) GRL, 29. [8] Enns A.C. (2013) LPSC XLIV, #2751. [9] Steward S. T. and Valiant G. J. (2006) Meteoritics & Planet. Sci., 41, 1509-1537. [10] Pike R. J. (1974) EPSL, 23, 265-274. [11]Turtle, E. et al. (2005) GSA-SP. 384, 1.

Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study.

PubMed

Jiang, Xi Zhuo; Feng, Muye; Ventikos, Yiannis; Luo, Kai H

2018-04-10

Flow patterns on surfaces grafted with complex structures play a pivotal role in many engineering and biomedical applications. In this research, large-scale molecular dynamics (MD) simulations are conducted to study the flow over complex surface structures of an endothelial glycocalyx layer. A detailed structure of glycocalyx has been adopted and the flow/glycocalyx system comprises about 5,800,000 atoms. Four cases involving varying external forces and modified glycocalyx configurations are constructed to reveal intricate fluid behaviour. Flow profiles including temporal evolutions and spatial distributions of velocity are illustrated. Moreover, streamline length and vorticity distributions under the four scenarios are compared and discussed to elucidate the effects of external forces and glycocalyx configurations on flow patterns. Results show that sugar chain configurations affect streamline length distributions but their impact on vorticity distributions is statistically insignificant, whilst the influence of the external forces on both streamline length and vorticity distributions are trivial. Finally, a regime diagram for flow over complex surface structures is proposed to categorise flow patterns.

Coevolution at protein complex interfaces can be detected by the complementarity trace with important impact for predictive docking

PubMed Central

Madaoui, Hocine; Guerois, Raphaël

2008-01-01

Protein surfaces are under significant selection pressure to maintain interactions with their partners throughout evolution. Capturing how selection pressure acts at the interfaces of protein–protein complexes is a fundamental issue with high interest for the structural prediction of macromolecular assemblies. We tackled this issue under the assumption that, throughout evolution, mutations should minimally disrupt the physicochemical compatibility between specific clusters of interacting residues. This constraint drove the development of the so-called Surface COmplementarity Trace in Complex History score (SCOTCH), which was found to discriminate with high efficiency the structure of biological complexes. SCOTCH performances were assessed not only with respect to other evolution-based approaches, such as conservation and coevolution analyses, but also with respect to statistically based scoring methods. Validated on a set of 129 complexes of known structure exhibiting both permanent and transient intermolecular interactions, SCOTCH appears as a robust strategy to guide the prediction of protein–protein complex structures. Of particular interest, it also provides a basic framework to efficiently track how protein surfaces could evolve while keeping their partners in contact. PMID:18511568

Popigai Impact Structure Modeling: Morphology and Worldwide Ejecta

NASA Technical Reports Server (NTRS)

Ivanov, B. A.; Artemieva, N. A.; Pierazzo, E.

2004-01-01

The approx. 100 km in diameter, 35.7 0.2 Ma old Popigai structure [1], northern Siberia (Russia), is the best-preserved of the large terrestrial complex crater structures containing a central-peak ring [2- 4]. Although remotely located, the excellent outcrops, large number of drill cores, and wealth of geochemical data make Popigai ideal for the general study of the cratering processes. It is most famous for its impact-diamonds [2,5]. Popigai is the best candidate for the source crater of the worldwide late Eocene ejecta [6,7].

Peptide and Peptide-Dependent Motions in MHC Proteins: Immunological Implications and Biophysical Underpinnings

PubMed Central

Ayres, Cory M.; Corcelli, Steven A.; Baker, Brian M.

2017-01-01

Structural biology of peptides presented by class I and class II MHC proteins has transformed immunology, impacting our understanding of fundamental immune mechanisms and allowing researchers to rationalize immunogenicity and design novel vaccines. However, proteins are not static structures as often inferred from crystallographic structures. Their components move and breathe individually and collectively over a range of timescales. Peptides bound within MHC peptide-binding grooves are no exception and their motions have been shown to impact recognition by T cell and other receptors in ways that influence function. Furthermore, peptides tune the motions of MHC proteins themselves, which impacts recognition of peptide/MHC complexes by other proteins. Here, we review the motional properties of peptides in MHC binding grooves and discuss how peptide properties can influence MHC motions. We briefly review theoretical concepts about protein motion and highlight key data that illustrate immunological consequences. We focus primarily on class I systems due to greater availability of data, but segue into class II systems as the concepts and consequences overlap. We suggest that characterization of the dynamic “energy landscapes” of peptide/MHC complexes and the resulting functional consequences is one of the next frontiers in structural immunology. PMID:28824655

Peptide and Peptide-Dependent Motions in MHC Proteins: Immunological Implications and Biophysical Underpinnings.

PubMed

Ayres, Cory M; Corcelli, Steven A; Baker, Brian M

2017-01-01

Structural biology of peptides presented by class I and class II MHC proteins has transformed immunology, impacting our understanding of fundamental immune mechanisms and allowing researchers to rationalize immunogenicity and design novel vaccines. However, proteins are not static structures as often inferred from crystallographic structures. Their components move and breathe individually and collectively over a range of timescales. Peptides bound within MHC peptide-binding grooves are no exception and their motions have been shown to impact recognition by T cell and other receptors in ways that influence function. Furthermore, peptides tune the motions of MHC proteins themselves, which impacts recognition of peptide/MHC complexes by other proteins. Here, we review the motional properties of peptides in MHC binding grooves and discuss how peptide properties can influence MHC motions. We briefly review theoretical concepts about protein motion and highlight key data that illustrate immunological consequences. We focus primarily on class I systems due to greater availability of data, but segue into class II systems as the concepts and consequences overlap. We suggest that characterization of the dynamic "energy landscapes" of peptide/MHC complexes and the resulting functional consequences is one of the next frontiers in structural immunology.

Feral Cats Are Better Killers in Open Habitats, Revealed by Animal-Borne Video.

PubMed

McGregor, Hugh; Legge, Sarah; Jones, Menna E; Johnson, Christopher N

2015-01-01

One of the key gaps in understanding the impacts of predation by small mammalian predators on prey is how habitat structure affects the hunting success of small predators, such as feral cats. These effects are poorly understood due to the difficulty of observing actual hunting behaviours. We attached collar-mounted video cameras to feral cats living in a tropical savanna environment in northern Australia, and measured variation in hunting success among different microhabitats (open areas, dense grass and complex rocks). From 89 hours of footage, we recorded 101 hunting events, of which 32 were successful. Of these kills, 28% were not eaten. Hunting success was highly dependent on microhabitat structure surrounding prey, increasing from 17% in habitats with dense grass or complex rocks to 70% in open areas. This research shows that habitat structure has a profound influence on the impacts of small predators on their prey. This has broad implications for management of vegetation and disturbance processes (like fire and grazing) in areas where feral cats threaten native fauna. Maintaining complex vegetation cover can reduce predation rates of small prey species from feral cat predation.

Ash Shutbah: A possible impact structure in Saudi Arabia

NASA Astrophysics Data System (ADS)

Gnos, Edwin; Hofmann, Beda A.; Schmieder, Martin; Al-Wagdani, Khalid; Mahjoub, Ayman; Al-Solami, Abdulaziz A.; Habibullah, Siddiq N.; Matter, Albert; Alwmark, Carl

2014-10-01

We have investigated the Ash Shutbah circular structure in central Saudi Arabia (21°37'N 45°39'E) using satellite imagery, field mapping, thin-section petrography, and X-ray diffraction of collected samples. The approximately 2.1 km sized structure located in flat-lying Jurassic Tuwaiq Mountain Limestone has been nearly peneplained by erosional processes. Satellite and structural data show a central area consisting of Dhruma Formation sandstones with steep bedding and tight folds plunging radially outward. Open folding occurs in displaced, younger Tuwaiq Mountain Limestone Formation blocks surrounding the central area, but is absent outside the circular structure. An approximately 60 cm thick, unique folded and disrupted orthoquartzitic sandstone marker bed occurring in the central area of the structure is found 140 m deeper in undisturbed escarpment outcrops located a few hundred meters west of the structure. With exception of a possible concave shatter cone found in the orthoquartzite of the central area, other diagnostic shock features are lacking. Some quartz-rich sandstones from the central area show pervasive fracturing of quartz grains with common concussion fractures. This deformation was followed by an event of quartz dissolution and calcite precipitation consistent with local sea- or groundwater heating. The combination of central stratigraphic uplift of 140 m, concussion features in discolored sandstone, outward-dipping concentric folds in the central area, deformation restricted to the rocks of the ring structure, a complex circular structure of 2.1 km diameter that appears broadly consistent with what one would expect from an impact structure in sedimentary targets, and a possible shatter cone all point to an impact origin of the Ash Shutbah structure. In fact, the Ash Shutbah structure appears to be a textbook example of an eroded, complex impact crater located in flat-lying sedimentary rocks, where the undisturbed stratigraphic section can be studied in escarpment outcrops in the vicinity of the structure.

The impact of grazing on plant fractal architecture and fitness of a mediterranean shrub (Anthyllis cytisoidesL.)

USGS Publications Warehouse

Escos, J.; Alados, C.L.; Emlen, J.M.

1997-01-01

1. We examined natural grazing by livestock (sheep and goats) on Albaida Anthyllis cytisoides L. with the aim of determining whether variation in the allometric relationships between plant parts provides a sensitive indicator of the impact of grazing.2. The intra-individual variation in translatory symmetry with scale and increased complexity of fractal structures reflect environmental disturbance under heavy grazing pressure and lack of grazing.3. Fitness consequences of grazing were also investigated. Grazing promotes growth and adult survival, and a drop in seed production as a consequence of consumption. In spite of that, total inclusive fitness (population rate of change) tends to increase with grazing.4. Moderate grazing, while promoting growth, also enhances stability of vegetative structures. The favourable effect of moderate levels of herbivory on A. cytisoides is reflected in the homeostatic maintenance of its translatory symmetry and in the increased complexity of its fractal structures.

New Constraints on the Slate Islands Impact Structure, Ontario, Canada

NASA Technical Reports Server (NTRS)

Sharpton, Virgil L.; Dressler, Burkhard O.; Herrick, Robert R.; Schnieders, Bernie; Scott, John

1996-01-01

The Slate Islands in northern Lake Superior represent the eroded remains of a complex impact crater, originally approximately 32 km in diameter. New field studies there reveal allogenic crater fill deposits along the eastern and northern portions of the islands indicating that this 500-800 Ma impact structure is not as heavily eroded as previously thought. Near the crater center, on the western side or Patterson Island, massive blocks of target rocks, enclosed within a matrix of fine-grained polymict breccia, record the extensive deformation associated with the central uplift. Shatter cones are a common structural feature on the islands and range from less than 3 cm to over 10 m in length. Although shatter cones are powerful tools for recognizing and analyzing eroded impact craters, their origin remains poorly constrained.

Why do complex impact craters have elevated crater rims?

NASA Astrophysics Data System (ADS)

Kenkmann, Thomas; Sturm, Sebastian; Krueger, Tim

2014-05-01

Most of the complex impact craters on the Moon and on Mars have elevated crater rims like their simple counterparts. The raised rim of simple craters is the result of (i) the deposition of a coherent proximal ejecta blanket at the edge of the transient cavity (overturned flap) and (ii) a structural uplift of the pre-impact surface near the transient cavity rim during the excavation stage of cratering [1]. The latter occurs either by plastic thickening or localized buckling of target rocks, as well as by the emplacement of interthrust wedges [2] or by the injection of dike material. Ejecta and the structural uplift contribute equally to the total elevation of simple crater rims. The cause of elevated crater rims of large complex craters [3] is less obvious, but still, the rim height scales with the final crater diameter. Depending on crater size, gravity, and target rheology, the final crater rim of complex craters can be situated up to 1.5-2.0 transient crater radii distance from the crater center. Here the thickness of the ejecta blanket is only a fraction of that occurring at the rim of simple craters, e.g. [4], and thus cannot account for a strong elevation. Likewise, plastic thickening including dike injection of the underlying target may not play a significant role at this distance any more. We started to systematically investigate the structural uplift and ejecta thickness along the rim of complex impact craters to understand the cause of their elevation. Our studies of two lunar craters (Bessel, 16 km diameter and Euler, 28 km diameter) [5] and one unnamed complex martian crater (16 km diameter) [6] showed that the structural uplift at the final crater rim makes 56-67% of the total rim elevation while the ejecta thickness contributes 33-44%. Thus with increasing distance from the transient cavity rim, the structural uplift seems to dominate. As dike injection and plastic thickening are unlikely at such a distance from the transient cavity, we propose that reverse faulting induced by radially outward directed maximum stresses during the excavation flow may be responsible for the elevation of complex crater rims. This hypothesis is tested at terrestrial craters whose apparent crater rims are often confined by circumferential faults [7]. References:[1] Shoemaker, E. M. (1963) The Solar System, 4, 301-336. [2] Poelchau M.H. et al. (2009), JGR, 114, E01006. [3] Settle, M., and Head, J.W., (1977), Icarus, 31, 123. [4] McGetchin, T. R., et al., (1973), EPSL, 20, 226.[5] Krüger T. et al. (2014), LPSC 45, #1834. [6] Sturm, S. et al. (2014), LPSC 45, 1801. [7] Turtle, E. et al. (2005), GSA-SP. 384, 1.

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

Chen, Yan; Cheng, Yongqiang; Li, Juchuan

Transition metal (TM) substitution has been widely applied to change complex oxides crystal structures to create high energy density electrodes materials in high performance rechargeable lithium-ion batteries. The complex local structure in the oxides imparted by the TM arrangement often impacts their electrochemical behaviors by influencing the diffusion and intercalation of lithium. Here, a major discrepancy is demonstrated between the global and local structures of the promising high energy density and high voltage LiNi 0.5Mn 1.5O 4 spinel cathode material that contradicts the existing structural models. A new single-phase lattice-cell orientation disorder model is proposed as the mechanism for themore » local ordering that explains how the inhomogeneous local distortions and the coherent connection give rise to the global structure in the complex oxide. As a result, the single-phase model is consistent with the electrochemical behavior observation of the materials.« less

Impact melt-bearing breccias of the Mistastin Lake impact structure: A unique planetary analogue for ground-truthing proximal ejecta emplacement

NASA Astrophysics Data System (ADS)

Mader, M. M.; Osinski, G. R.

2013-12-01

Impact craters are the dominant geological landform on rocky planetary surfaces; however, relationships between specific craters and their ejecta are typically poorly constrained. With limited planetary samples, scientists look to terrestrial craters as analogues. Impact ejecta is defined here as any target material, regardless of its physical state, that is transported beyond the rim of the transient cavity [1]. The original transient cavity reaches its maximum size during the excavation stage of crater formation, before rim collapse begins in the modification stage [2]. In complex craters, during the modification stage, rocks around the periphery of the bowl-shaped transient crater collapse downward and inward to form a series of terraces along the outer margin of the crater structure [3]. Proximal impact ejecta, can therefore be found on the terraces of the modified rim of a complex crater, interior to the final crater rim [1]. Although typically poorly preserved on Earth due to post-impact erosional processes, impact ejecta have been identified in the terraced rim region of the Mistastin Lake impact structure, located in northern Labrador, Canada (55°53'N; 63°18'W) [4]. The Mistastin Lake impact structure is an intermediate-size, complex crater (28 km apparent crater diameter) formed by a meteorite impact ~36 Ma in crystalline target rocks. The original crater has been differentially eroded; however, a terraced rim and distinct central uplift are still observed [5]. The inner portion of the structure is covered by the Mistastin Lake and the surrounding area is locally covered by soil/glacial deposits and vegetation. Locally, allochthonous impactites overlying fractured target rocks are exposed along the lakeshore and along banks of radially cutting streams. They define a consistent stratigraphy, including, from bottom to top: monomict, lithic breccias, allochthonous polymict lithic breccias, and allochthonous impact melt rocks. Mistastin impact breccias range in matrix content, melt-fragment concentration, and contact relationships with adjacent impactites. Initial findings suggest differing origins for impact melt-bearing breccias from a single impact event. Three examples are highlighted: 1) Impact melt-bearing breccias, on an inner terrace, formed in boundary zones where hot impact melt flowed over cooler, ballistically emplaced polymict impact breccias. 2) Locally, a dyke of impact melt-bearing breccia suggests that this unit originated as hot lithic flow that moved laterally along the ground and then intruded as a fracture fill into target rocks. 3) A m-scale lens of melt-bearing breccia within the middle of a thick, 80m impact melt rock unit situated on an inner terrace, suggests that this lens may have originated from the crater floor and been incorporated into the melt pond during emplacement (i.e. movement of the melt from the crater floor to terrace shelf). In summary, the Mistastin Lake impact structure displays a multiple layered ejecta sequence that is consistent with, and requires, a multi-stage ejecta emplacement model as proposed by [1]. References: [1] Osinski et al. (2011) EPSL (310:167-181. [2] Melosh (1989) Oxford Univ. 245 pp. [3] French B. M. (1998) LPI Contribution 954,120pp. [4] Mader et al. (2011) 42nd LPSC, No.1608. [5] Mader et al. (2013) 43rd LPSC, No. 2517.

Interactive effects of warming, eutrophication and size structure: impacts on biodiversity and food-web structure.

PubMed

Binzer, Amrei; Guill, Christian; Rall, Björn C; Brose, Ulrich

2016-01-01

Warming and eutrophication are two of the most important global change stressors for natural ecosystems, but their interaction is poorly understood. We used a dynamic model of complex, size-structured food webs to assess interactive effects on diversity and network structure. We found antagonistic impacts: Warming increases diversity in eutrophic systems and decreases it in oligotrophic systems. These effects interact with the community size structure: Communities of similarly sized species such as parasitoid-host systems are stabilized by warming and destabilized by eutrophication, whereas the diversity of size-structured predator-prey networks decreases strongly with warming, but decreases only weakly with eutrophication. Nonrandom extinction risks for generalists and specialists lead to higher connectance in networks without size structure and lower connectance in size-structured communities. Overall, our results unravel interactive impacts of warming and eutrophication and suggest that size structure may serve as an important proxy for predicting the community sensitivity to these global change stressors. © 2015 John Wiley & Sons Ltd.

Time to face the fats: what can mass spectrometry reveal about the structure of lipids and their interactions with proteins?

PubMed

Brown, Simon H J; Mitchell, Todd W; Oakley, Aaron J; Pham, Huong T; Blanksby, Stephen J

2012-09-01

Since the 1950s, X-ray crystallography has been the mainstay of structural biology, providing detailed atomic-level structures that continue to revolutionize our understanding of protein function. From recent advances in this discipline, a picture has emerged of intimate and specific interactions between lipids and proteins that has driven renewed interest in the structure of lipids themselves and raised intriguing questions as to the specificity and stoichiometry in lipid-protein complexes. Herein we demonstrate some of the limitations of crystallography in resolving critical structural features of ligated lipids and thus determining how these motifs impact protein binding. As a consequence, mass spectrometry must play an important and complementary role in unraveling the complexities of lipid-protein interactions. We evaluate recent advances and highlight ongoing challenges towards the twin goals of (1) complete structure elucidation of low, abundant, and structurally diverse lipids by mass spectrometry alone, and (2) assignment of stoichiometry and specificity of lipid interactions within protein complexes.

Time to Face the Fats: What Can Mass Spectrometry Reveal about the Structure of Lipids and Their Interactions with Proteins?

NASA Astrophysics Data System (ADS)

Brown, Simon H. J.; Mitchell, Todd W.; Oakley, Aaron J.; Pham, Huong T.; Blanksby, Stephen J.

2012-09-01

Since the 1950s, X-ray crystallography has been the mainstay of structural biology, providing detailed atomic-level structures that continue to revolutionize our understanding of protein function. From recent advances in this discipline, a picture has emerged of intimate and specific interactions between lipids and proteins that has driven renewed interest in the structure of lipids themselves and raised intriguing questions as to the specificity and stoichiometry in lipid-protein complexes. Herein we demonstrate some of the limitations of crystallography in resolving critical structural features of ligated lipids and thus determining how these motifs impact protein binding. As a consequence, mass spectrometry must play an important and complementary role in unraveling the complexities of lipid-protein interactions. We evaluate recent advances and highlight ongoing challenges towards the twin goals of (1) complete structure elucidation of low, abundant, and structurally diverse lipids by mass spectrometry alone, and (2) assignment of stoichiometry and specificity of lipid interactions within protein complexes.

Real-Time Impact Visualization Inspection of Aerospace Composite Structures with Distributed Sensors.

PubMed

Si, Liang; Baier, Horst

2015-07-08

For the future design of smart aerospace structures, the development and application of a reliable, real-time and automatic monitoring and diagnostic technique is essential. Thus, with distributed sensor networks, a real-time automatic structural health monitoring (SHM) technique is designed and investigated to monitor and predict the locations and force magnitudes of unforeseen foreign impacts on composite structures and to estimate in real time mode the structural state when impacts occur. The proposed smart impact visualization inspection (IVI) technique mainly consists of five functional modules, which are the signal data preprocessing (SDP), the forward model generator (FMG), the impact positioning calculator (IPC), the inverse model operator (IMO) and structural state estimator (SSE). With regard to the verification of the practicality of the proposed IVI technique, various structure configurations are considered, which are a normal CFRP panel and another CFRP panel with "orange peel" surfaces and a cutout hole. Additionally, since robustness against several background disturbances is also an essential criterion for practical engineering demands, investigations and experimental tests are carried out under random vibration interfering noise (RVIN) conditions. The accuracy of the predictions for unknown impact events on composite structures using the IVI technique is validated under various structure configurations and under changing environmental conditions. The evaluated errors all fall well within a satisfactory limit range. Furthermore, it is concluded that the IVI technique is applicable for impact monitoring, diagnosis and assessment of aerospace composite structures in complex practical engineering environments.

Real-Time Impact Visualization Inspection of Aerospace Composite Structures with Distributed Sensors

PubMed Central

Si, Liang; Baier, Horst

2015-01-01

For the future design of smart aerospace structures, the development and application of a reliable, real-time and automatic monitoring and diagnostic technique is essential. Thus, with distributed sensor networks, a real-time automatic structural health monitoring (SHM) technique is designed and investigated to monitor and predict the locations and force magnitudes of unforeseen foreign impacts on composite structures and to estimate in real time mode the structural state when impacts occur. The proposed smart impact visualization inspection (IVI) technique mainly consists of five functional modules, which are the signal data preprocessing (SDP), the forward model generator (FMG), the impact positioning calculator (IPC), the inverse model operator (IMO) and structural state estimator (SSE). With regard to the verification of the practicality of the proposed IVI technique, various structure configurations are considered, which are a normal CFRP panel and another CFRP panel with “orange peel” surfaces and a cutout hole. Additionally, since robustness against several background disturbances is also an essential criterion for practical engineering demands, investigations and experimental tests are carried out under random vibration interfering noise (RVIN) conditions. The accuracy of the predictions for unknown impact events on composite structures using the IVI technique is validated under various structure configurations and under changing environmental conditions. The evaluated errors all fall well within a satisfactory limit range. Furthermore, it is concluded that the IVI technique is applicable for impact monitoring, diagnosis and assessment of aerospace composite structures in complex practical engineering environments. PMID:26184196

A hydrothermal system associated with the Siljan impact structure, Sweden--implications for the search for fossil life on Mars.

PubMed

Hode, Tomas; von Dalwigk, Ilka; Broman, Curt

2003-01-01

The Siljan ring structure (368 +/- 1.1 Ma) is the largest known impact structure in Europe. It isa 65-km-wide, eroded, complex impact structure, displaying several structural units, including a central uplifted region surrounded by a ring-shaped depression. Associated with the impact crater are traces of a post-impact hydrothermal system indicated by precipitated and altered hydrothermal mineral assemblages. Precipitated hydrothermal minerals include quartz veins and breccia fillings associated with granitic rocks at the outer margin of the central uplift, and calcite, fluorite, galena, and sphalerite veins associated with Paleozoic carbonate rocks located outside the central uplift. Two-phase water/gas and oil/gas inclusions in calcite and fluorite display homogenization temperatures between 75 degrees C and 137 degrees C. With an estimated erosional unloading of approximately 1 km, the formation temperatures were probably not more than 10-15 degrees C higher. Fluid inclusion ice-melting temperatures indicate a very low salt content, reducing the probability that the mineralization was precipitated during the Caledonian Orogeny. Our findings suggest that large impacts induce low-temperature hydrothermal systems that may be habitats for thermophilic organisms. Large impact structures on Mars may therefore be suitable targets in the search for fossil thermophilic organisms.

Detection of Micro-Leaks Through Complex Geometries Under Mechanical Load and at Cryogenic Temperature

NASA Technical Reports Server (NTRS)

Rivers, H. Kevin; Sikora, J. G.; Sankaran, S. N.

2001-01-01

Polymer Matrix Composite (PMC) hydrogen tanks have been proposed as an enabling technology for reducing the weight of Single-Stage-to-Orbit reusable launch vehicles where structural mass has a large impact on vehicle performance. A key development issue of these lightweight structures is the leakage of hydrogen through the composite material. The rate of hydrogen leakage can be a function of the material used, method of 6 fabrication used to manufacture the tank, mechanical load the tank must react, internal damage-state of the material, and the temperatures at which the tank must operate. A method for measuring leakage through a geometrically complex structure at cryogenic temperature and under mechanical load was developed, calibrated and used to measure hydrogen leakage through complex X-33 liquid-hydrogen tank structure sections.

Investigating the Structural Impacts of I64T and P311S Mutations in APE1-DNA Complex: A Molecular Dynamics Approach

PubMed Central

Doss, C. George Priya; NagaSundaram, N.

2012-01-01

Background Elucidating the molecular dynamic behavior of Protein-DNA complex upon mutation is crucial in current genomics. Molecular dynamics approach reveals the changes on incorporation of variants that dictate the structure and function of Protein-DNA complexes. Deleterious mutations in APE1 protein modify the physicochemical property of amino acids that affect the protein stability and dynamic behavior. Further, these mutations disrupt the binding sites and prohibit the protein to form complexes with its interacting DNA. Principal Findings In this study, we developed a rapid and cost-effective method to analyze variants in APE1 gene that are associated with disease susceptibility and evaluated their impacts on APE1-DNA complex dynamic behavior. Initially, two different in silico approaches were used to identify deleterious variants in APE1 gene. Deleterious scores that overlap in these approaches were taken in concern and based on it, two nsSNPs with IDs rs61730854 (I64T) and rs1803120 (P311S) were taken further for structural analysis. Significance Different parameters such as RMSD, RMSF, salt bridge, H-bonds and SASA applied in Molecular dynamic study reveals that predicted deleterious variants I64T and P311S alters the structure as well as affect the stability of APE1-DNA interacting functions. This study addresses such new methods for validating functional polymorphisms of human APE1 which is critically involved in causing deficit in repair capacity, which in turn leads to genetic instability and carcinogenesis. PMID:22384055

Interplay between theory and experiment: computational organometallic and transition metal chemistry.

PubMed

Lin, Zhenyang

2010-05-18

Computational and theoretical chemistry provide fundamental insights into the structures, properties, and reactivities of molecules. As a result, theoretical calculations have become indispensable in various fields of chemical research and development. In this Account, we present our research in the area of computational transition metal chemistry, using examples to illustrate how theory impacts our understanding of experimental results and how close collaboration between theoreticians and experimental chemists can be mutually beneficial. We begin by examining the use of computational chemistry to elucidate the details of some unusual chemical bonds. We consider the three-center, two-electron bonding in titanocene sigma-borane complexes and the five-center, four-electron bonding in a rhodium-bismuth complex. The bonding in metallabenzene complexes is also examined. In each case, theoretical calculations provide particular insight into the electronic structure of the chemical bonds. We then give an example of how theoretical calculations aided the structural determination of a kappa(2)-N,N chelate ruthenium complex formed upon heating an intermediate benzonitrile-coordinated complex. An initial X-ray diffraction structure proposed on the basis of a reasonable mechanism appeared to fit well, with an apparently acceptable R value of 0.0478. But when DFT calculations were applied, the optimized geometry differed significantly from the experimental data. By combining experimental and theoretical outlooks, we posited a new structure. Remarkably, a re-refining of the X-ray diffraction data based on the new structure resulted in a slightly lower R value of 0.0453. We further examine the use of computational chemistry in providing new insight into C-H bond activation mechanisms and in understanding the reactivity properties of nucleophilic boryl ligands, addressing experimental difficulties with calculations and vice versa. Finally, we consider the impact of theoretical insights in three very specific experimental studies of chemical reactions, illustrating how theoretical results prompt further experimental studies: (i) diboration of aldehydes catalyzed by copper(I) boryl complexes, (ii) ruthenium-catalyzed C-H amination of arylazides, and (iii) zinc reduction of a vinylcarbyne complex. The concepts and examples presented here are intended for nonspecialists, particularly experimentalists. Together, they illustrate some of the achievements that are possible with a fruitful union of experiment and theory.

Reading the Magnetic Patterns in Earth complex impact craters to detect similarities and cues from some Nectarian craters of the Moon

NASA Astrophysics Data System (ADS)

Isac, Anca; Mandea, Mioara; Purucker, Michael

2013-04-01

Most of the terrestrial impact craters have been obliterated by other terrestrial geological processes. Some examples however remain. Among them, complex craters such as Chicxculub, Vredefort, or the outsider Bangui structure (proposed but still unconfirmed as a result of an early Precambrian large impact) exert in the total magnetic field anomaly global map (WDMAM-B) circular shapes with positive anomalies which may suggest the circularity of a multiring structure. A similar pattern is observed from the newest available data (global spherical model of the internal magnetic field by Purucker and Nicolas, 2010) for some Nectarian basins as Moscovienese, Mendel-Rydberg or Crissium. As in the case of Earth's impacts, the positive anomalies appear near the basin center and inside the first ring, this distribution being strongly connected with crater-forming event. Detailed analysis of largest impact craters from Earth and Moon --using a forward modeling approach by means of the Equivalent Source Dipole method--evaluates the shock impact demagnetization effects--a magnetic low--by reducing the thickness of the pre-magnetized lithosphere due to the excavation process (the impact crater being shaped as a paraboloid of revolution). The magnetic signature of representative early Nectarian craters, Crissium, as well as Earth's complex craters, defined by stronger magnetic fields near the basin center and/or inside the first ring, might be a consequence of the shock remanent magnetization of the central uplift plus a thermoremanent magnetization of the impact melt in a steady magnetizing field generated by a former active dynamo. In this case, ESD method is not able to obtain a close fit of the forward model to the observation altitude map or model.

The impacts of mobile fishing gear on seafloor habitats in the Gulf of Maine (Northwest Atlantic): implications for conservation of fish populations

USGS Publications Warehouse

Auster, Peter J.; Malatesta, Richard J.; Langton, Richard W.; Watting, Les; Valentine, Page C.; Donaldson, Carol Lee S.; Langton, Elizabeth W.; Shepard, Andrew N.; Babb, War G.

1997-01-01

Fishing gear alters seafloor habitats, but the extent of these alterations, and their effects, have not been quantified extensively in the northwest Atlantic. Understanding the extent of these impacts, and their effects on populations of living marine resources, is needed to properly manage current and future levels of fishing effort and fishing power. For example, the entire U.S. side of the Gulf of Maine was impacted annually by mobile fishing gear between 1984 and 1990, based on calculations of area swept by trawl and dredge gear. Georges Bank was imparted three to nearly four times annually during the same period. Studies at three sites in the Gulf of Maine (off Swans Island, Jeffreys Bank, and Stellwagen Bank) showed that mobile fishing gear altered the physical structure (=complexity) of benthic habitats. Complexity was reduced by direct removal of biogenic (e.g., sponges, hydrozoans, bryozoans, amphipod tubes, holothurians, shell aggregates) and‐ sedimentary (e.g., sand waves, depressions) structures. Also, removal of organisms that create.structures (e.g., crabs, scallops) indirectly reduced complexity. Reductions in habitat complexity may lead to increased predation on juveniles of harvested species and ultimately recruitment to the harvestable stock. Because of a lack of reference sites, where use of mobile fishing is prohibited, no empirical studies have yet been conducted on a scale that could demonstrate population level effects of habitat‐management options. If marine fisheries management is to evolve toward an ecosystem or habitat management approach, experiments are required on the effects of habitat change, both anthropogenic and natural.

Nonlinear system identification of smart structures under high impact loads

NASA Astrophysics Data System (ADS)

Sarp Arsava, Kemal; Kim, Yeesock; El-Korchi, Tahar; Park, Hyo Seon

2013-05-01

The main purpose of this paper is to develop numerical models for the prediction and analysis of the highly nonlinear behavior of integrated structure control systems subjected to high impact loading. A time-delayed adaptive neuro-fuzzy inference system (TANFIS) is proposed for modeling of the complex nonlinear behavior of smart structures equipped with magnetorheological (MR) dampers under high impact forces. Experimental studies are performed to generate sets of input and output data for training and validation of the TANFIS models. The high impact load and current signals are used as the input disturbance and control signals while the displacement and acceleration responses from the structure-MR damper system are used as the output signals. The benchmark adaptive neuro-fuzzy inference system (ANFIS) is used as a baseline. Comparisons of the trained TANFIS models with experimental results demonstrate that the TANFIS modeling framework is an effective way to capture nonlinear behavior of integrated structure-MR damper systems under high impact loading. In addition, the performance of the TANFIS model is much better than that of ANFIS in both the training and the validation processes.

Crash simulation of hybrid structures considering the stress and strain rate dependent material behavior of thermoplastic materials

NASA Astrophysics Data System (ADS)

Hopmann, Ch.; Schöngart, M.; Weber, M.; Klein, J.

2015-05-01

Thermoplastic materials are more and more used as a light weight replacement for metal, especially in the automotive industry. Since these materials do not provide the mechanical properties, which are required to manufacture supporting elements like an auto body or a cross bearer, plastics are combined with metals in so called hybrid structures. Normally, the plastics components are joined to the metal structures using different technologies like welding or screwing. Very often, the hybrid structures are made of flat metal parts, which are stiffened by a reinforcement structure made of thermoplastic materials. The loads on these structures are very often impulsive, for example in the crash situation of an automobile. Due to the large stiffness variation of metal and thermoplastic materials, complex states of stress and very high local strain rates occur in the contact zone under impact conditions. Since the mechanical behavior of thermoplastic materials is highly dependent on these types of load, the crash failure of metal plastic hybrid parts is very complex. The problem is that the normally used strain rate dependent elastic/plastic material models are not capable to simulate the mechanical behavior of thermoplastic materials depended on the state of stress. As part of a research project, a method to simulate the mechanical behavior of hybrid structures under impact conditions is developed at the IKV. For this purpose, a specimen for the measurement of mechanical properties dependet on the state of stress and a method for the strain rate depended characterization of thermoplastic materials were developed. In the second step impact testing is performed. A hybrid structure made from a metal sheet and a reinforcement structure of a Polybutylenterephthalat Polycarbonate blend is tested under impact conditions. The measured stress and strain rate depended material data are used to simulate the mechanical behavior of the hybrid structure under highly dynamic load with impact velocities up to 5 m/s. The mechanical behavior of the plastics structure is simulated using a quadratic yield surface, which takes the state of stress and the strain rate into account. The FE model is made from mid surface elements to reduce the computing time.

Breccia Formation at a Complex Impact Crater: Slate Islands, Lake Superior, Ontario, Canada

NASA Technical Reports Server (NTRS)

Dressler, B. O.; Sharpton, V. L.

1997-01-01

The Slate Islands impact structure is the eroded remnant of a approximately 30-32 km-diameter complex impact structure located in northern Lake Superior, Ontario, Canada. Target rocks are Archean supracrustal and igneous rocks and Proterozoic metavolcanics, metasediments, and diabase. A wide variety of breccias occurs on the islands, many of which contain fragments exhibiting shock metamorphic features. Aphanitic, narrow and inclusion-poor pseudotachylite veins, commonly with more or less parallel boundaries and apophyses branching off them, represent the earliest breccias formed during the compression stage of the impact process. Coarse-grained, polymictic elastic matrix breccias form small to very large, inclusion-rich dikes and irregularly shaped bodies that may contain altered glass fragments. These breccias have sharp contacts with their host rocks and include a wide range of fragment types some of which were transported over minimum distances of approximately 2 km away from the center of the structure. They cut across pseudotachylite veins and contain inclusions of them. Field and petrographic evidence indicate that these polymictic breccias formed predominantly during the excavation and central uplift stages of the impact process. Monomictic breccias, characterized by angular fragments and transitional contacts with their host rocks, occur in parautochthonous target rocks, mainly on the outlying islands of the Slate Islands archipelago. A few contain fragmented and disrupted, coarse-grained, polymictic clastic matrix breccia dikes. This is an indication that at least some of these monomictic breccias formed late in the impact process and that they are probably related to a late crater modification stage. A small number of relatively large occurrences of glass-poor, suevitic breccias occur at the flanks of the central uplift and along the inner flank of the outer ring of the Slate Islands complex crater. A coarse, glass-free, allogenic breccia, containing shatter-coned fragments derived from Proterozoic target rocks (upper target strata), observed at two locations may be analogous to the 'Bunt Breccia' of the Ries crater in Germany. At one of these locations this breccia lies close to a crater suevite deposit. At the other, it overlies parautochthonous, monomictic breccia. The State Islands impact breccias are superbly exposed, much better than breccias in most other terrestrial impact structures. Observations, including those indicative of multiple and and sequential processes, provide insight on how impact breccias form and how they relate to the various phases of the impact process. Eventually they will lead to an improved understanding of planetary impact processes.

[Hand surgery in the German DRG System 2007].

PubMed

Franz, D; Windolf, J; Kaufmann, M; Siebert, C H; Roeder, N

2007-05-01

Hand surgery often needs only a short length of stay in hospital. Patients' comorbidity is low. Many hand surgery procedures do not need inpatient structures. Up until 2006 special procedures of hand surgery could not be coded. The DRG structure did not separate very complex and less complex operations. Specialized hospitals needed a proper case allocation of their patients within the G-DRG system. The DRG structure concerning hand surgery increased in version 2007 of the G-DRG system. The main parameter of DRG splitting is the complexity of the operation. Furthermore additional criteria such as more than one significant OR procedure, the patients' age, or special diagnoses influence case allocation. A special OPS code for complex cases treated with hand surgery was implemented. The changes in the DRG structure and the implementation of the new OPS code for complex cases establish a strong basis for the identification of different patient costs. Different case allocation leads to different economic impacts on departments of hand surgery. Whether the new OPS code becomes a DRG splitting parameter has to be calculated by the German DRG Institute for further DRG versions.

"Structure and dynamics in complex chemical systems: Gaining new insights through recent advances in time-resolved spectroscopies.” ACS Division of Physical Chemistry Symposium presented at the Fall National ACS Meeting in Boston, MA, August 2015

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

Crawford, Daniel

8-Session Symposium on STRUCTURE AND DYNAMICS IN COMPLEX CHEMICAL SYSTEMS: GAINING NEW INSIGHTS THROUGH RECENT ADVANCES IN TIME-RESOLVED SPECTROSCOPIES. The intricacy of most chemical, biochemical, and material processes and their applications are underscored by the complex nature of the environments in which they occur. Substantial challenges for building a global understanding of a heterogeneous system include (1) identifying unique signatures associated with specific structural motifs within the heterogeneous distribution, and (2) resolving the significance of each of multiple time scales involved in both small- and large-scale nuclear reorganization. This symposium focuses on the progress in our understanding of dynamics inmore » complex systems driven by recent innovations in time-resolved spectroscopies and theoretical developments. Such advancement is critical for driving discovery at the molecular level facilitating new applications. Broad areas of interest include: Structural relaxation and the impact of structure on dynamics in liquids, interfaces, biochemical systems, materials, and other heterogeneous environments.« less

How Often Do They Have Sex? A Comparative Analysis of the Population Structure of Seven Eukaryotic Microbial Pathogens

PubMed Central

Tomasini, Nicolás; Lauthier, Juan José; Ayala, Francisco José; Tibayrenc, Michel; Diosque, Patricio

2014-01-01

The model of predominant clonal evolution (PCE) proposed for micropathogens does not state that genetic exchange is totally absent, but rather, that it is too rare to break the prevalent PCE pattern. However, the actual impact of this “residual” genetic exchange should be evaluated. Multilocus Sequence Typing (MLST) is an excellent tool to explore the problem. Here, we compared online available MLST datasets for seven eukaryotic microbial pathogens: Trypanosoma cruzi, the Fusarium solani complex, Aspergillus fumigatus, Blastocystis subtype 3, the Leishmania donovani complex, Candida albicans and Candida glabrata. We first analyzed phylogenetic relationships among genotypes within each dataset. Then, we examined different measures of branch support and incongruence among loci as signs of genetic structure and levels of past recombination. The analyses allow us to identify three types of genetic structure. The first was characterized by trees with well-supported branches and low levels of incongruence suggesting well-structured populations and PCE. This was the case for the T. cruzi and F. solani datasets. The second genetic structure, represented by Blastocystis spp., A. fumigatus and the L. donovani complex datasets, showed trees with weakly-supported branches but low levels of incongruence among loci, whereby genetic structuration was not clearly defined by MLST. Finally, trees showing weakly-supported branches and high levels of incongruence among loci were observed for Candida species, suggesting that genetic exchange has a higher evolutionary impact in these mainly clonal yeast species. Furthermore, simulations showed that MLST may fail to show right clustering in population datasets even in the absence of genetic exchange. In conclusion, these results make it possible to infer variable impacts of genetic exchange in populations of predominantly clonal micro-pathogens. Moreover, our results reveal different problems of MLST to determine the genetic structure in these organisms that should be considered. PMID:25054834

High Energy Wide Area Blunt Impact on Composite Aircraft Structures

NASA Astrophysics Data System (ADS)

DeFrancisci, Gabriela K.

The largest source of damage to commercial aircraft is caused by accidental contact with ground service equipment (GSE). The cylindrical bumper typically found on GSE distributes the impact load over a large contact area, possibly spanning multiple internal structural elements (frame bays) of a stiffened-skin fuselage. This type of impact can lead to damage that is widespread and difficult to detect visually. To address this problem, monolithic composite panels of various size and complexity have been modeled and tested quasi-statically and dynamically. The experimental observations have established that detectability is dependent on the impact location and immediately-adjacent internal structure of the panel, as well as the impactor geometry and total deformation of the panel. A methodology to model and predict damage caused by wide area blunt impact events was established, which was then applied to more general cases that were not tested in order to better understand the nature of this type of impact event and how it relates to the final damage state and visual detectability.

Lanthanide-binding peptides with two pendant aminodiacetate arms: impact of the sequence on chelation.

PubMed

Niedźwiecka, Agnieszka; Cisnetti, Federico; Lebrun, Colette; Gateau, Christelle; Delangle, Pascale

2012-03-21

Lanthanide complexes with a series of hexapeptides-incorporating two unnatural chelating amino acids with aminodiacetate groups, Ada(1) and Ada(2)-have been examined in terms of their speciation, structure, stability and luminescence properties. Whereas Ada(2) acts as a tridentate donor in all cases, Ada(1) may act as a tetradentate donor thanks to the coordination of the amide carbonyl function assisted by the formation of a six-membered chelate ring. The position of the Ada(1) residue in the sequence is demonstrated to be critical for the lanthanide complex speciation and structure. Ada(1) promotes the coordination of the backbone amide function to afford a highly dehydrated Ln complex and an S-shape structure of the peptide backbone, only when found in position 2.

Impact of constitutional isomers of (BMes(2))phenylpyridine on structure, stability, phosphorescence, and Lewis acidity of mononuclear and dinuclear Pt(II) complexes.

PubMed

Rao, Ying-Li; Wang, Suning

2009-08-17

The impact of two constitutional isomers, 2-(4-BMes(2)-Ph)-pyridine (p-B-ppy, 1) and 5-BMes(2)-2-ph-pyridine (p-ppy-B, 2), as N,C-chelate ligands on the structures, stabilities, electronic and photophysical properties, and Lewis acidities of Pt(II) complexes has been investigated. Six Pt(II) complexes, Pt(p-B-ppy)Ph(DMSO) (1a), Pt(p-B-ppy)Ph(py) (1b), [Pt(p-B-ppy)Ph](2)(4,4'-bipy) (1c), Pt(p-ppy-B)Ph(DMSO) (2a), Pt(p-ppy-B)Ph(py) (2b), and [Pt(p-ppy-B)Ph](2)(4,4'-bipy) (2c), have been synthesized and fully characterized. The structures of 1a, 1c, 2a, and 2c were established by single-crystal X-ray diffraction analysis. All complexes adopt a cis geometry with the phenyl ligand being cis to the phenyl ring of the ppy chelate. The dinuclear complexes 2a and 2c were found to exist in two isomeric forms in solution, syn and anti, with respect to the relative orientation of the two BMes(2) groups in the molecule. While all complexes are stable in solution under ambient air, compound 2a was found to react with H(2)O slowly in solution and form complex 2a-OH, where one of the mesityl groups on the boron center was replaced by an OH group. This instability of 2a is attributed to an internal dimethylsulfoxide-directed hydrolysis process via hydrogen bonds. The electron-accepting ability of the free ligands and the complexes were examined by cyclic voltammetry, establishing that, for p-ppy-B, Pt(II) chelation enhances the electron-accepting ability while, for p-B-ppy, Pt(II) chelation has little impact. All Pt(II) complexes display oxygen-sensitive phosphorescence in solution at ambient temperature, dominated by B-ppy or ppy-B centered pi --> pi* transitions. The Lewis acidity of the complexes was examined by fluoride titration experiments using UV-vis, phosphorescence, and NMR spectroscopic methods, establishing that the p-ppy-B complexes have similar and strong binding constants while the p-B-ppy complexes have a much lower affinity toward F(-), compared to the free ligands. In the dinuclear complexes, weak electronic communication between the two Pt(II) units is evident in 1c but absent in 2c, attributable to the different steric interactions in the two molecules.

Gender, Complexity, and Science for All: Systemizing and Its Impact on Motivation to Learn Science for Different Science Subjects

ERIC Educational Resources Information Center

Zeyer, Albert

2018-01-01

The present study is based on a large cross-cultural study, which showed that a systemizing cognition type has a high impact on motivation to learn science, while the impact of gender is only indirect thorough systemizing. The present study uses the same structural equation model as in the cross-cultural study and separately tests it for physics,…

Feral Cats Are Better Killers in Open Habitats, Revealed by Animal-Borne Video

PubMed Central

McGregor, Hugh; Legge, Sarah; Jones, Menna E.; Johnson, Christopher N.

2015-01-01

One of the key gaps in understanding the impacts of predation by small mammalian predators on prey is how habitat structure affects the hunting success of small predators, such as feral cats. These effects are poorly understood due to the difficulty of observing actual hunting behaviours. We attached collar-mounted video cameras to feral cats living in a tropical savanna environment in northern Australia, and measured variation in hunting success among different microhabitats (open areas, dense grass and complex rocks). From 89 hours of footage, we recorded 101 hunting events, of which 32 were successful. Of these kills, 28% were not eaten. Hunting success was highly dependent on microhabitat structure surrounding prey, increasing from 17% in habitats with dense grass or complex rocks to 70% in open areas. This research shows that habitat structure has a profound influence on the impacts of small predators on their prey. This has broad implications for management of vegetation and disturbance processes (like fire and grazing) in areas where feral cats threaten native fauna. Maintaining complex vegetation cover can reduce predation rates of small prey species from feral cat predation. PMID:26288224

The social determinants of oral health: new approaches to conceptualizing and researching complex causal networks.

PubMed

Newton, J Timothy; Bower, Elizabeth J

2005-02-01

Oral epidemiological research into the social determinants of oral health has been limited by the absence of a theoretical framework which reflects the complexity of real life social processes and the network of causal pathways between social structure and oral health and disease. In the absence of such a framework, social determinants are treated as isolated risk factors, attributable to the individual, having a direct impact on oral health. There is little sense of how such factors interrelate over time and place and the pathways between the factors and oral health. Features of social life which impact on individuals' oral health but are not reducible to the individual remain under-researched. A conceptual framework informing mainstream epidemiological research into the social determinants of health is applied to oral epidemiology. The framework suggests complex causal pathways between social structure and health via interlinking material, psychosocial and behavioural pathways. Methodological implications for oral epidemiological research informed by the framework, such as the use of multilevel modelling, path analysis and structural equation modelling, combining qualitative and quantitative research methods, and collaborative research, are discussed. Copyright Blackwell Munksgaard, 2005.

Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1.

PubMed

Zandarashvili, Levani; White, Mark A; Esadze, Alexandre; Iwahara, Junji

2015-07-08

The inducible transcription factor Egr-1 binds specifically to 9-bp target sequences containing two CpG sites that can potentially be methylated at four cytosine bases. Although it appears that complete CpG methylation would make an unfavorable steric clash in the previous crystal structures of the complexes with unmethylated or partially methylated DNA, our affinity data suggest that DNA recognition by Egr-1 is insensitive to CpG methylation. We have determined, at a 1.4-Å resolution, the crystal structure of the Egr-1 zinc-finger complex with completely methylated target DNA. Structural comparison of the three different methylation states reveals why Egr-1 can recognize the target sequences regardless of CpG methylation. Copyright © 2015 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Reconnaissance survey of the Duolun ring structure in Inner Mongolia: Not an impact structure

NASA Astrophysics Data System (ADS)

Xu, Xiaoming; Kenkmann, Thomas; Xiao, Zhiyong; Sturm, Sebastian; Metzger, Nicolai; Yang, Yu; Weimer, Daniela; Krietsch, Hannes; Zhu, Meng-Hua

2017-09-01

The Duolun basin, which is located in Inner Mongolia, China, has been proposed to be an impact structure with an apparent rim diameter of about 70, or even 170 km. The designation as an impact structure was based on its nearly circular topography, consisting of an annular moat that surrounds an inner hummocky region, and the widespread occurrences of various igneous rocks, polymict breccias, and deformed crustal rocks. Critical shock metamorphic evidence is not available to support the impact hypothesis. We conducted two independent reconnaissance field surveys to this area and studied the lithology both within and outside of the ring structure. We collected samples from all lithologies that might contain evidence of shock metamorphism as suggested by their locations, especially those sharing similar appearances with impact breccias, suevites, impact melt rocks, and shatter cones. Field investigation, together with thin-section examination, discovered that the suspected impact melt rocks are actually Early Cretaceous and Late Jurassic lava flows and pyroclastic deposits of rhyolitic to trachytic compositions, and the interpreted impact glass is typical volcanic glass. Petrographic analyses of all the samples reveal no indications for shock metamorphic overprint. All these lines of evidence suggest that the Duolun basin was not formed through impact cratering. The structural deformation and spatial distribution pattern of the igneous rocks suggest that the Duolun basin is most likely a Jurassic-Cretaceous complex rhyolite caldera system that has been partly filled with sediments forming an annular basin, followed by resurgent doming of the central area.

Impact of zeolite-Y framework on the geometry and reactivity of Ru (III) benzimidazole complexes - A DFT study

NASA Astrophysics Data System (ADS)

Selvaraj, Tamilmani; Rajalingam, Renganathan; Balasubramanian, Viswanathan

2018-03-01

A detailed comparative Density Functional Theory (DFT) study is made to understand the structural changes of the guest complex due to steric and electronic interactions with the host framework. In this study, Ru(III) benzimidazole and 2- ethyl Ru(III) benzimidazole complexes encapsulated in a supercage of zeolite Y. The zeolitic framework integrity is not disturbed by the intrusion of the large guest complex. A blue shift in the d-d transition observed in the UV-Visible spectroscopic studies of the zeolite encapsulated complexes and they shows a higher catalytic efficiency. Encapsulation of zeolite matrix makes the metal center more viable to nucleophilic attack and favors the phenol oxidation reaction. Based on the theoretical calculations, transition states and structures of reaction intermediates involved in the catalytic cycles are derived.

Conserving intertidal habitats: What is the potential of ecological engineering to mitigate impacts of coastal structures?

NASA Astrophysics Data System (ADS)

Perkins, Matthew J.; Ng, Terence P. T.; Dudgeon, David; Bonebrake, Timothy C.; Leung, Kenneth M. Y.

2015-12-01

Globally, coastlines are under pressure as coastal human population growth and urbanization continues, while climatic change leads to stormier seas and rising tides. These trends create a strong and sustained demand for land reclamation and infrastructure protection in coastal areas, requiring engineered coastal defence structures such as sea walls. Here, we review the nature of ecological impacts of coastal structures on intertidal ecosystems, seek to understand the extent to which ecological engineering can mitigate these impacts, and evaluate the effectiveness of mitigation as a tool to contribute to conservation of intertidal habitats. By so doing, we identify critical knowledge gaps to inform future research. Coastal structures alter important physical, chemical and biological processes of intertidal habitats, and strongly impact community structure, inter-habitat linkages and ecosystem services while also driving habitat loss. Such impacts occur diffusely across localised sites but scale to significant regional and global levels. Recent advances in ecological engineering have focused on developing habitat complexity on coastal structures to increase biodiversity. 'Soft' engineering options maximise habitat complexity through inclusion of natural materials, species and processes, while simultaneously delivering engineering objectives such as coastal protection. Soft options additionally sustain multiple services, providing greater economic benefits for society, and resilience to climatic change. Currently however, a lack of inclusion and economic undervaluation of intertidal ecosystem services may undermine best practice in coastline management. Importantly, reviewed evidence shows mitigation and even restoration do not support intertidal communities or processes equivalent to pre-disturbance conditions. Crucially, an absence of comprehensive empirical baseline biodiversity data, or data comprising additional ecological parameters such as ecosystem functions and services, prohibits quantification of absolute and relative magnitudes of ecological impacts due to coastal structures or effectiveness of mitigation interventions. This knowledge deficit restricts evaluation of the potential of ecological engineering to contribute to conservation policies for intertidal habitats. To improve mitigation design and effectiveness, a greater focus on in-situ research is needed, requiring stronger and timely collaboration between government agencies, construction partners and research scientists.

Interactive effects of live coral and structural complexity on the recruitment of reef fishes

NASA Astrophysics Data System (ADS)

Coker, D. J.; Graham, N. A. J.; Pratchett, M. S.

2012-12-01

Corals reefs are subjected to multiple disturbances that modify levels of coral cover and structural complexity of the reef matrix, and in turn influence the structure of associated fish communities. With disturbances predicted to increase, insight into how changes in substrate condition will influence the recruitment of many fishes is essential for understanding the recovery of reef fish populations following biological and physical disturbances. While studies have revealed that both live coral cover and structural complexity are important for many fishes, there is a lack of understanding regarding how a combination of these changes will impact the recruitment of fishes. This study used experimentally constructed patch reefs consisting of six different habitat treatments; three levels of live coral cover (high, medium, low) crossed with two levels of structural complexity (high, low), to test the independent and combined effects of live coral cover and structural complexity on the recruitment and recovery of fish communities. The abundance and species diversity of fishes varied significantly among the six habitat treatments, but differences were not clearly associated with either coral cover or structural complexity and varied through time. More striking, however, was a significant difference in the composition of fish assemblages among treatments, due mostly to disproportionate abundance of coral-dwelling fishes on high coral cover, high complexity reefs. Overall, it appears that coral cover had a more important influence than structural complexity, at least for the contrasting levels of structural complexity achieved on experimental patch reefs. Furthermore, we found that live coral cover is important for the recruitment of some non-coral-dependent fishes. This study confirms that live coral cover is critical for the maintenance of high biodiversity on tropical coral reefs, and that sustained and ongoing declines in coral cover will adversely affect recruitment for many different species of reef fishes.

Wine and grape tannin interactions with salivary proteins and their impact on astringency: a review of current research.

PubMed

McRae, Jacqui M; Kennedy, James A

2011-03-11

Astringency is an important characteristic of red wine quality. The sensation is generally thought to be produced by the interaction of wine tannins with salivary proteins and the subsequent aggregation and precipitation of protein-tannin complexes. The importance of wine astringency for marketability has led to a wealth of research on the causes of astringency and how tannins impact the quality of the sensation, particularly with respect to tannin structure. Ultimately, the understanding of how tannin structure impacts astringency will allow the controlled manipulation of tannins via such methods as micro-oxygenation or fining to improve the quality of wines.

Conserved Binding Mode of Human [beta subscript 2] Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography

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

Wacker, Daniel; Fenalti, Gustavo; Brown, Monica A.

2010-11-15

G protein-coupled receptors (GPCRs) represent a large fraction of current pharmaceutical targets, and of the GPCRs, the {beta}{sub 2} adrenergic receptor ({beta}{sub 2}AR) is one of the most extensively studied. Previously, the X-ray crystal structure of {beta}{sub 2}AR has been determined in complex with two partial inverse agonists, but the global impact of additional ligands on the structure or local impacts on the binding site are not well-understood. To assess the extent of such ligand-induced conformational differences, we determined the crystal structures of a previously described engineered {beta}{sub 2}AR construct in complex with two inverse agonists: ICI 118,551 (2.8 {angstrom}),more » a recently described compound (2.8 {angstrom}) (Kolb et al, 2009), and the antagonist alprenolol (3.1 {angstrom}). The structures show the same overall fold observed for the previous {beta}{sub 2}AR structures and demonstrate that the ligand binding site can accommodate compounds of different chemical and pharmacological properties with only minor local structural rearrangements. All three compounds contain a hydroxy-amine motif that establishes a conserved hydrogen bond network with the receptor and chemically diverse aromatic moieties that form distinct interactions with {beta}{sub 2}AR. Furthermore, receptor ligand cross-docking experiments revealed that a single {beta}{sub 2}AR complex can be suitable for docking of a range of antagonists and inverse agonists but also indicate that additional ligand-receptor structures may be useful to further improve performance for in-silico docking or lead-optimization in drug design.« less

A Possible Buried Impact Structure Near Bow City, Alberta

NASA Astrophysics Data System (ADS)

Xie, W.; Glombick, P.; Schmitt, D. R.; Bown, T. D.

2012-12-01

In recent years, improved exploration techniques have resulted in the serendipitous discoveries of increasing numbers of extraterrestrial impact structures in sedimentary basins around the world. Following in this tradition, a new potential impact structure centered near 50.4°N, 112.35°N in SE Alberta has been identified. The first indications of this structure appeared in careful systematic mapping of Cretaceous age sediments using public domain well log information that showed overturned and missing components in what regionally is a simple layered stratigraphy. This motivated the examination of legacy 2D seismic profiles over the area that confirmed the stratigraphic anomalies and provided new details that further supported interpretation of a potential impact structure. Further, the existence of unexpected faults through the Cretaceous Bearpaw formation had been noted as early as the 1940's in the limited outcrop available in coulees, and these as well as other complex fault structures along the Bow River outcrops were confirmed in recent field visits to the site. The 2D seismic data displays a number of listric and rose-petal faulting consistent with late stage collapse of the impact crater. Further, a seismically transparent central uplift peak is visible. Based on the results, the structure is recognized as a complex crater with a diameter of approximately 8 kilometers and, today, bottoming at a depth of 900 meters from the current surface. Currently, the age of the feature is grossly estimated to be less than 70 my on the basis of underlying undisturbed seismic reflectors. The structure may be somewhat unique in that weak coals surrounding the feature are clearly thickened indicating outward lateral sliding along shear planes through weaker layers. Work in progress includes acquisition of a high resolution seismic profile and detailed mapping of the magnetic and gravity potential fields. More detailed mapping will include searches for shock metamorphism and melt although it is not likely that this will be seen in the current outcrop. Drilling may be necessary to confirm details of the structure.

Six new complexes constructed from silver(I) and 2-(dinitromethylene)-1,3-diazacyclopentane (DNDZ): Synthesis, crystal structure and properties

NASA Astrophysics Data System (ADS)

Feng, Zhicun; Zhang, Hang; Xu, Kangzhen; Song, Jirong; Zhao, Fengqi

2018-04-01

Six different energetic silver complexes of 2-(dinitromethylene)-1,3-diazacyclopentane (DNDZ), Ag(DNDZ) (1), [Ag2(H2O)(DNDZ)]n (2), Ag(NH3)DNDZ (3), Ag(CH3NH2)(DNDZ) (4), Ag(C2H5NH2)(DNDZ) (5) and Ag(C3H7NH2)(DNDZ) (6), were first synthesized and structurally characterized. Complexes 2, 3, 5 and 6 were characterized by the single crystal X-ray diffraction analysis. Complexes 2, 5 and 6 crystallize in the monoclinic crystal system with space group P21/n containing four molecules per unit cell, but the crystal of complex 3 is triclinic with space group P-1 containing two molecules in each unit cell. Complexes 2 and 3 possess Ag⋯Ag interaction and corresponding central symmetric structure, but complexes 5 and 6 do not. Thermal behaviors of complexes 1-6 were determined and analyzed. The order of thermal stability for the six complexes is 4 > 3 >1 > 2 >5 > 6. Impact sensitivities for complexes 1-6 are >12 J, > 4 J, > 13 J, > 16 J, > 8 J and >7 J respectively, which corresponds well to the results of thermal stability for the six complexes except for complex 2. Moreover, natural bond orbital (NBO) analysis was used to investigate the bonding and hybridization of complex 3.

The Zhamanshin impact feature: A new class of complex crater?

NASA Technical Reports Server (NTRS)

Garvin, J. B.; Schnetzler, C. C.

1992-01-01

The record of 10-km-scale impact events of Quaternary age includes only two 'proven' impact structures: the Zhamanshin Impact Feature (ZIF) and the Bosumtwi Impact Crater (BIC). What makes these impact landforms interesting from the standpoint of recent Earth history is their almost total lack of morphologic similarity, in spite of similar absolute ages and dimensions. The BIC resembles pristine complex craters on the Moon to first order (i.e., 'U'-shaped topographic cross section with preserved rim), while the ZIF displays virtually none of the typical morphologic elements of a 13- to 14-km-diameter complex crater. Indeed, this apparent lack of a craterlike surficial topographic expression initially led Soviet geologists to conclude that the structure was only 5.5 to 6 km in diameter and at least 4.5 Ma in age. However, more recent drilling and geophysical observations at the ZIF have indicated that its pre-erosional diameter is at least 13.5 km, and that its age is most probably 0.87 Ma. Why the present topographic expression of a 13.5-km complex impact crater less than 1 m.y. old most closely resembles heavily degraded Mesozoic shield craters such as Lappajarvi is a question of considerable debate. Hypotheses for the lack of a clearly defined craterlike form at the ZIF include a highly oblique impact, a low-strength 'cometary' projectile, weak or water-saturated target materials, and anomalous erosion patterns. The problem remains unresolved because typical erosion rates within the arid sedimentary platform environment of central Kazakhstan in which the ZIF is located are typically low; it would require at least a factor of 10 greater erosion at the ZIF in order to degrade the near-rim ejecta typical of a 13.5-km complex crater by hundreds of meters in only 0.87 Ma, and to partially infill an inner cavity with 27 cu km (an equivalent uniform thickness of infill of 166 m). Our analysis of the degree of erosion and infill at the ZIF calls for rates in the 0.19 to 0.38 mm/yr range over the lifetime of the landform, which are a factor of 10 to 20 in excess of typical rates for the Kazakhstan semidesert.

The circular Uneged Uul structure (East Gobi Basin, Mongolia) - Geomorphic and structural evidence for meteorite impact into an unconsolidated coarse-clastic target?

NASA Astrophysics Data System (ADS)

Schmieder, Martin; Seyfried, Hartmut; Gerel, Ochir

2013-03-01

The Uneged Uul structure is a ˜10 km circular, complex, multi-ridged domal feature in the Unegt subbasin of the East Gobi Basin, southeastern Mongolia. As revealed by remote sensing and recent field reconnaissance, the central part of the Uneged Uul structure comprises a complex central peak of outward-radiating curved ridges, composed of stratigraphically uplifted greenschist-facies basement schists, surrounded by an annular moat. The most prominent feature of the structure is a central annular ridge ˜3 km in diameter composed of pebble-boulder conglomerates and gravels of the Upper Jurassic Sharilyn Formation, surrounded by three outer domal ridges composed of Lower Cretaceous conglomeratic sandstones and gypsum clays. Jurassic conglomerates forming the main part of the central annular ridge show effects of severe internal deformation. The original population of pebbles, cobbles and boulders appears moderately displaced and mostly broken but nowhere aligned along shear planes or foliated. Primary sedimentary features, such as cross-lamination or imbrication, have been obliterated. We explain this penetrative brecciation as a result of dissipative shearing caused by a strong and rapid singular event that in magnitude was beyond the range of the common crustal tectonics recorded elsewhere in this region. Disrupted and chaotically distributed conglomeratic sandstone beds in the central annular ridge dip in highly variable directions on a local scale but show an apparent SE-NW trend of bedding plane alignment. Further outside, the tilted and uplifted Upper Jurassic to Lower Cretaceous strata of the domal area are overlain by the flat-lying Upper Cretaceous, which stratigraphically constrains the timing of deformation at the Uneged Uul structure to most likely the Early Cretaceous. Endogenic formation models, such as magmatism and salt, gypsum, or mud diapirism, fail to explain the nature of the Uneged Uul structure. The Uneged Uul structure bears a set of geomorphic and structural features resembling those at some eroded complex impact structures on Earth. Morphologically similar central peaks are observed at the Spider and Matt Wilson impact structures in Australia; the central annular ridge reminds of that at Gosses Bluff in Australia; the outer domal ridges might correspond to ring-like features as known from Tin Bider in Algeria. We, therefore, cautiously propose that an impact may have produced the Uneged Uul feature causing structural uplift (˜1000 m) of basement rocks at its center. So far, no convincing evidence for shock metamorphism could be proven by field work and petrographic analyses. However, it is likely that at the time of the deformation event the unconsolidated conglomerates were highly porous and possibly immersed in groundwater buffering the propagation of sudden stress-reducing deformation. Further studies will be in order to unravel the nature of the Uneged Uul structure, which should be considered a promising possible impact structure.

The Influence of Model Complexity on the Impact Response of a Shuttle Leading-Edge Panel Finite Element Simulation

NASA Technical Reports Server (NTRS)

Jones, Lisa E. (Technical Monitor); Stockwell, Alan E.

2005-01-01

LS-DYNA simulations were conducted to study the influence of model complexity on the response of a typical Reinforced Carbon-Carbon (RCC) panel to a foam impact at a location approximately midway between the ribs. A structural model comprised of Panels 10, 11, and TSeal 11 was chosen as the baseline model for the study. A simulation was conducted with foam striking Panel 10 at Location 4 at an alpha angle of 10 degrees, with an impact velocity of 1000 ft/sec. A second simulation was conducted after removing Panel 11 from the model, and a third simulation was conducted after removing both Panel 11 and T-Seal 11. All three simulations showed approximately the same response for Panel 10, and the simplified simulation model containing only Panel 10 was shown to be significantly less expensive to execute than the other two more complex models.

Examining the Factor Structure and Psychometric Properties of the Quality of Life Scale among People with Multiple Sclerosis

ERIC Educational Resources Information Center

Fitzgerald, Shawn M.; Li, Jian; Rumrill, Phillip D., Jr.; Bishop, Malachy; Merchant, William R.

2015-01-01

Rehabilitation counseling researchers seeking to more fully understand the phenomenon of psychosocial adaptation to disability are devoting increased attention to the impact of disability on quality of life (QOL). This impact has been of particular interest among multiple sclerosis (MS) researchers. The complex etiology, unpredictable nature, and…

Surgical Management of Compound Odontoma Associated with Unerupted Tooth

PubMed Central

Marini, Roberta; Pacifici, Luciano

2015-01-01

Odontomas represent the most common type of odontogenic benign jaws tumors among patients younger than 20 years of age. These tumors are composed of enamel, dentine, cementum, and pulp tissue. According to the World Health Organization classification, two distinct types of odontomas are acknowledged: complex and compound odontoma. In complex odontomas, all dental tissues are formed, but appeared without an organized structure. In compound odontomas, all dental tissues are arranged in numerous tooth-like structures known as denticles. Compound odontomas are often associated with impacted adjacent permanent teeth and their surgical removal represents the best therapeutic option. A case of a 20-year-old male patient with a compound odontoma-associated of impacted maxillary canine is presented. A minimally invasive surgical technique is adopted to remove the least amount of bone tissue as far as possible. PMID:26199762

Impact origin of the Sudbury structure: Evolution of a theory

NASA Technical Reports Server (NTRS)

Lowman, Paul D., Jr.

1992-01-01

This paper reviews the origin, development, and present status of the widely accepted theory, proposed by Robert S. Dietz in 1962, that the Sudbury structure was formed by meteoritic or asteroidal impact. The impact theory for the origin of the Sudbury structure seems supported by a nearly conclusive body of evidence. However, even assuming an impact origin to be correct, at least three major questions require further study: (1) the original size and shape of the crater, before tectonic deformation and erosion; (2) the source of the melt now forming the Sudbury Igneous Complex; and (3) the degree, if any, to which the Ni-Cu-platinum group elements are meteoritic. The history of the impact theory illustrates several under-appreciated aspects of scientific research: (1) the importance of cross-fertilization between space research and terrestrial geology; (2) the role of the outsider in stimulating thinking by insiders; (3) the value of small science, at least in the initial stages of an investigation, Dietz's first field work having been at his own expense; and (4) the value of analogies (here, between the Sudbury Igneous Complex and the maria), which although incorrect in major aspects, may trigger research on totally new lines. Finally, the Sudbury story illustrates the totally unpredictable and, by implication, unplannable nature of basic research, in that insight to the origin of the world's then-greatest Ni deposit came from the study of tektites and the Moon.

Structural analyses of the JPL Mars Pathfinder impact

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

Gwinn, K.W.

1994-12-31

The purpose of this paper is to demonstrate that finite element analysis can be used in the design process for high performance fabric structures. These structures exhibit extreme geometric nonlinearity; specifically, the contact and interaction of fabric surfaces with the large deformation which necessarily results from membrane structures introduces great complexity to analyses of this type. All of these features are demonstrated here in the analysis of the Jet Propulsion Laboratory (JPL) Mars Pathfinder impact onto Mars. This lander system uses airbags to envelope the lander experiment package, protecting it with large deformation upon contact. Results from the analysis showmore » the stress in the fabric airbags, forces in the internal tendon support system, forces in the latches and hinges which allow the lander to deploy after impact, and deceleration of the lander components. All of these results provide the JPL engineers with design guidance for the success of this novel lander system.« less

Structural analyses of the JPL Mars Pathfinder impact

NASA Astrophysics Data System (ADS)

Gwinn, Kenneth W.

The purpose of this paper is to demonstrate that finite element analysis can be used in the design process for high performance fabric structures. These structures exhibit extreme geometric nonlinearity; specifically, the contact and interaction of fabric surfaces with the large deformation which necessarily results from membrane structures introduces great complexity to analyses of this type. All of these features are demonstrated here in the analysis of the Jet Propulsion Laboratory (JPL) Mars Pathfinder impact onto Mars. This lander system uses airbags to envelope the lander experiment package, protecting it with large deformation upon contact. Results from the analysis show the stress in the fabric airbags, forces in the internal tendon support system, forces in the latches and hinges which allow the lander to deploy after impact, and deceleration of the lander components. All of these results provide the JPL engineers with design guidance for the success of this novel lander system.

Clastic Breccias at the Slates Islands Complex Impact Structure, Northern Lake Superior

NASA Technical Reports Server (NTRS)

Dressler, B. O.; Sharpton, V. L.; Schnieders, B.; Scott, J.

1996-01-01

About 150 impact craters are known on Earth and each year several structures are added to this number. The general geology of the Slate Islands archipelago has been described by Sage (1991) and a short summary based on Sage's work is given in Dressler et al. (1995). The reader is referred to these publications for information on the bedrock geology of the island group. Early studies on the Slate Islands impact structure include: Halls and Grieve (1976), Grieve and Robertson (1976) and Stesky and Halls (1983). In this report, we provide a summary of the impact process as presently understood. We also present some of the results of our laboratory investigations conducted in 1995 and 1996. We describe in some detail the various clastic breccias encountered on the islands during our 1994 and 1995 field work and relate them to the various phases of the impact process. A more encompassing treatise on the breccias has been submitted for publication. (Dressler and Sharpton 1996).

The Rock Elm meteorite impact structure, Wisconsin: Geology and shock-metamorphic effects in quartz

USGS Publications Warehouse

French, B.M.; Cordua, W.S.; Plescia, J.B.

2004-01-01

The Rock Elm structure in southwest Wisconsin is an anomalous circular area of highly deformed rocks, ???6.5 km in diameter, located in a region of virtually horizontal undeformed sedimentary rocks. Shock-produced planar microstructures (PMs) have been identified in quartz grains in several lithologies associated with the structure: sandstones, quartzite pebbles, and breccia. Two distinct types of PMs are present: P1 features, which appear identical to planar fractures (PFs or cleavage), and P2 features, which are interpreted as possible incipient planar deformation features (PDFs). The latter are uniquely produced by the shock waves associated with meteorite impact events. Both types of PMs are oriented parallel to specific crystallographic planes in the quartz, most commonly to c(0001), ??112??2, and r/z101??1. The association of unusual, structurally deformed strata with distinct shock-produced microdeformation features in their quartz-bearing rocks establishes Rock Elm as a meteorite impact structure and supports the view that the presence of multiple parallel cleavages in quartz may be used independently as a criterion for meteorite impact. Preliminary paleontological studies indicate a minimum age of Middle Ordovician for the Rock Elm structure. A similar age estimate (450-400 Ma) is obtained independently by combining the results of studies of the general morphology of complex impact structures with estimated rates of sedimentation for the region. Such methods may be applicable to dating other old and deeply eroded impact structures formed in sedimentary target rocks.

A geophysical investigation of the northeastern rim of the St. Martin impact structure, Manitoba, Canada

NASA Astrophysics Data System (ADS)

Zivkovic, Vladimir B.

The St. Martin impact structure is a 40 Km diameter structure located in Manitoba, Canada lies in featureless, glaciated terrain lacking any surface expression of an impact structure. The age of the structure has been re-determined to range between 224.3 Ma to 241.4 Ma which nullified a previous hypothesis suggesting this impact was part of a multiple impact event. Within the proposed structural boundary two outcrops of Archean granite are present. The first outcrop is located in what has been identified as the central peak of the impact structure. The second outcrop lies along the northeastern boundary and is known locally as Big Rock. The purpose of this investigation was to determine the relationship of Big Rock, if any, to the impact event and to constrain a more accurate diameter of the structure. To accomplish this I conducted two geophysical surveys and used selected data from a previous survey. The two methods I conducted were: a magnetic survey and seismic reflection profiling. Selected data from a previous gravity survey was used to supplement survey results. The magnetic survey was conducted using the total field G-856 Memory-Mag proton precession magnetometer which measures local or regional field strength. The seismic reflection survey was conducted using three Geometrics Geode exploration seismographs. Due to the complexity of seismic data processing I retained an outside seismic data processing company. Previous gravity anomaly data were acquired using a LaCoste and Romberg Model G gravimeter. The results of this geophysical investigation reveal a shallowing of granitic basement rock with exposure near Big Rock. However, a suggested listric fault near Big Rock was not identified via seismic reflection profiling, but was suggested by both the gravity and magnetic surveys. Listric faults that are genetically related to impact structures are also indicative of the structure's outer boundary and therefore can confirm that the St. Martin impact structure is indeed 40 Km in diameter.

The Oasis impact structure, Libya: geological characteristics from ALOS PALSAR-2 data interpretation

NASA Astrophysics Data System (ADS)

van Gasselt, Stephan; Kim, Jung Rack; Choi, Yun-Soo; Kim, Jaemyeong

2017-02-01

Optical and infrared remote sensing may provide first-order clues for the identification of potential impact structures on the Earth. Despite the free availability of at least optical image data at highest resolution, research has shown that remote sensing analysis always remains inconclusive and extensive groundwork is needed for the confirmation of the impact origin of such structures. Commonly, optical image data and digital terrain models have been employed mainly for such remote sensing studies of impact structures. With the advent of imaging radar data, a few excursions have been made to also employ radar datasets. Despite its long use, capabilities of imaging radar for studying surface and subsurface structures have not been exploited quantitatively when applied for the identification and description of such features due to the inherent complexity of backscatter processes. In this work, we make use of higher-level derived radar datasets in order to gain clearer qualitative insights that help to describe and identify potential impact structures. We make use of high-resolution data products from the ALOS PALSAR-1 and ALOS PALSAR-2 L-band sensors to describe the heavily eroded Oasis impact structure located in the Libyan Desert. While amplitude radar data with single polarization have usually been utilized to accompany the suite of remote sensing datasets when interpreting impact structures in the past, we conclude that the integration of amplitude data with HH/HV/HH-HV polarization modes in standard and, in particular, in Ultra-Fine mode, as well as entropy-alpha decomposition data, significantly helps to identify and discriminate surface units based on their consolidation. Based on the overarching structural pattern, we determined the diameter of the eroded Oasis structure at 15.6 ± 0.5 km.

Modelling and simulation of complex sociotechnical systems: envisioning and analysing work environments

PubMed Central

Hettinger, Lawrence J.; Kirlik, Alex; Goh, Yang Miang; Buckle, Peter

2015-01-01

Accurate comprehension and analysis of complex sociotechnical systems is a daunting task. Empirically examining, or simply envisioning the structure and behaviour of such systems challenges traditional analytic and experimental approaches as well as our everyday cognitive capabilities. Computer-based models and simulations afford potentially useful means of accomplishing sociotechnical system design and analysis objectives. From a design perspective, they can provide a basis for a common mental model among stakeholders, thereby facilitating accurate comprehension of factors impacting system performance and potential effects of system modifications. From a research perspective, models and simulations afford the means to study aspects of sociotechnical system design and operation, including the potential impact of modifications to structural and dynamic system properties, in ways not feasible with traditional experimental approaches. This paper describes issues involved in the design and use of such models and simulations and describes a proposed path forward to their development and implementation. Practitioner Summary: The size and complexity of real-world sociotechnical systems can present significant barriers to their design, comprehension and empirical analysis. This article describes the potential advantages of computer-based models and simulations for understanding factors that impact sociotechnical system design and operation, particularly with respect to process and occupational safety. PMID:25761227

Manson impact structure, Iowa: First geochemical results for drill core M-1

NASA Technical Reports Server (NTRS)

Koeberl, Christian; Anderson, Raymond R.; Hartung, Jack B.; Reimold, Wolf Uwe

1993-01-01

The Manson Impact Structure is a large complex impact crater centered ca. S km north of the town of Manson, Iowa. It is the largest intact impact structure recognized in the United States (35 km in diameter). Its Ar-40/Ar-39 age is indistinguishable from that of the Cretaceous-Tertiary (K-T) boundary. The Manson structure may be one element of the events at the K-T boundary. The crater is completely covered by Quaternary glacial sedimentary deposits that are normally underlain by Cretaceous clastic sediments and flat-lying carbonate sediments of Phanerozoic age, as well as Proterozoic red clastic, metamorphic, volcanic, and plutonic rock sequences. The study of a reflection seismic profile, provided by Amoco, was critical in interpreting the structure. In the 35 km diameter zone that marks the extension of the crater the normal rock sequence is disturbed due to the impact, and at the center of the structure granitic basement rocks are present that have been uplifted from about 4 km depth. Our studies consist of detailed petrological and geochemical characterization of all cores, with emphasis on a detailed description of all rock types found in the core samples and their relationship to target rocks. Geochemical data on samples from the Manson M-1 core are presented.

Manson impact structure, Iowa: First geochemical results for drill core M-1

NASA Astrophysics Data System (ADS)

Koeberl, Christian; Anderson, Raymond R.; Hartung, Jack B.; Reimold, Wolf Uwe

1993-03-01

The Manson Impact Structure is a large complex impact crater centered ca. S km north of the town of Manson, Iowa. It is the largest intact impact structure recognized in the United States (35 km in diameter). Its Ar-40/Ar-39 age is indistinguishable from that of the Cretaceous-Tertiary (K-T) boundary. The Manson structure may be one element of the events at the K-T boundary. The crater is completely covered by Quaternary glacial sedimentary deposits that are normally underlain by Cretaceous clastic sediments and flat-lying carbonate sediments of Phanerozoic age, as well as Proterozoic red clastic, metamorphic, volcanic, and plutonic rock sequences. The study of a reflection seismic profile, provided by Amoco, was critical in interpreting the structure. In the 35 km diameter zone that marks the extension of the crater the normal rock sequence is disturbed due to the impact, and at the center of the structure granitic basement rocks are present that have been uplifted from about 4 km depth. Our studies consist of detailed petrological and geochemical characterization of all cores, with emphasis on a detailed description of all rock types found in the core samples and their relationship to target rocks. Geochemical data on samples from the Manson M-1 core are presented.

Imparting Barely Visible Impact Damage to a Stitched Composite Large-Scale Pressure Box

NASA Technical Reports Server (NTRS)

Lovejoy, Andrew E.; Przekop, Adam

2016-01-01

The Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) is a concept that was developed by The Boeing Company to address the complex structural design aspects associated with a pressurized hybrid wing body (HWB) aircraft configuration, which has been a focus of the NASA Environmentally Responsible Aviation Project. The NASA-Boeing structural development for the HWB aircraft culminated in testing of the multi-bay box, which is an 80%-scale representation of the pressurized center-body section. This structure was tested in the NASA Langley Research Center Combined Loads Test System facility. As part of this testing, barely visible impact damage was imparted to the interior and exterior of the test article to demonstrate compliance with a condition representative of the requirements for Category 1 damaged composite structure as defined by the Federal Aviation Regulations. Interior impacts were imparted using an existing spring-loaded impactor, while the exterior impacts were imparted using a newly designed, gravity-driven impactor. This paper describes the impacts to the test article, and the design of the gravitydriven guided-weight impactor. The guided-weight impactor proved to be a very reliable method to impart barely visible impact damage in locations which are not easily accessible for a traditional drop-weight impactor, while at the same time having the capability to be highly configurable for use on other aircraft structures.

Using a Combination of Experimental and Computational Methods to Explore the Impact of Metal Identity and Ligand Field Strength on the Electronic Structure of Metal Ions

ERIC Educational Resources Information Center

Pernicone, Naomi C.; Geri, Jacob B.; York, John T.

2011-01-01

In this exercise, students apply a combination of techniques to investigate the impact of metal identity and ligand field strength on the spin states of three d[superscript 5] transition-metal complexes: Fe(acac)[subscript 3], K[subscript 3][Fe(CN)[subscript 6

Processing bulk natural wood into a high-performance structural material

Treesearch

Jianwei Song; Chaoji Chen; Shuze Zhu; Mingwei Zhu; Jiaqi Dai; Upamanyu Ray; Yiju Li; Yudi Kuang; Yongfeng Li; Nelson Quispe; Yonggang Yao; Amy Gong; Ulrich H. Leiste; Hugh A. Bruck; J. Y. Zhu; Azhar Vellore; Heng Li; Marilyn L. Minus; Zheng Jia; Ashlie Martini; Teng Li; Liangbing Hu

2018-01-01

Synthetic structural materials with exceptional mechanical performance suffer from either large weight and adverse environmental impact (for example, steels and alloys) or complex manufacturing processes and thus high cost (for example, polymer-based and biomimetic composites)1–8. Natural wood is a low-cost and abundant material and has been used...

Stand structure influences nekton community composition and provides protection from natural disturbance in Micronesian mangroves

Treesearch

Richard A. MacKenzie; Nicole Cormier

2012-01-01

Structurally complex mangrove roots are thought to provide foraging habitat, predation refugia, and typhoon protection for resident fish, shrimp, and crabs. The spatially compact nature of Micronesian mangroves results in model ecosystems to test these ideas. Tidal creek nekton assemblages were compared among mangrove forests impacted by Typhoon Sudal and differing in...

Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.

PubMed

Wooten, Alfred J; Carroll, Patrick J; Walsh, Patrick J

2007-08-16

Shibasaki's heterobimetallic complexes M3(THF)n(BINOLate)3Ln [M = Li, Na, K; Ln = lanthanide(III)] are among the most successful asymmetric Lewis acid catalysts. Why does M3(THF)n(BINOLate)3Ln readily bind substrates when M = Li but not when M = Na or K? Structural studies herein indicate Na- and K-C cation-pi interactions and alkali metal radius may be more important than even lanthanide radius. Also reported is a novel polymeric [K3(THF)2(BINOLate)3Yb]n structure that provides the first evidence of interactions between M3(THF)n(BINOLate)3Ln complexes.

Impact of Na- and K-C π-Interactions on the Structure and Binding of M3(sol)n(BINOLate)3Ln Catalysts

PubMed Central

Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.

2008-01-01

Shibasaki’s heterobimetallic complexes M3(THF)n(BINOLate)3Ln [M = Li, Na, K, Ln = lanthanide(III)] are among the most successful asymmetric Lewis acid catalysts. Why does M3(THF)n(BINOLate)3Ln readily bind substrates when M = Li but not when M = Na or K? Structural studies herein indicate Na- and K-C cation-π interactions and alkali metal radius may be more important than even lanthanide radius. Also reported is a novel polymeric [K3(THF)2(BINOLate)3Yb]n structure that provides the first evidence of interactions between M3(THF)n(BINOLate)3Ln complexes. PMID:17658838

Impact force as a scaling parameter

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Revisiting the West Clearwater Lake Impact Structure, Canada

NASA Technical Reports Server (NTRS)

Osinski, G. R.; Brunner, A.; Collins, G.; Cohen, B. A.; Coulter, A.; Elphic, R.; Grieve, R. A. F.; Hodges, K.; Horne, A.; Kerrigan, M.

2015-01-01

The West and East Clearwater Lake impact structures are two of the most distinctive and recognizable impact structures on Earth. Known regionally as the "Clearwater Lake Complex", these structures are located in northern Quebec, Canada (56 deg 10 N, 74 deg 20 W) approximately 125 km east of Hudson Bay. The currently accepted diameters are 36 km and 26 km for the West and East structures, respectively. Long thought to represent a rare example of a double impact, recent age dating has called this into question with ages of approximately 286 Ma and approximately 460-470 Ma being proposed for the West and East structures, respectively. Relatively little is known about the East Clearwater Lake structure. There is no surface exposure and what information there is comes from geophysics and two drill cores obtained in the 1960s. In contrast, the West Clearwater Lake structure is relatively well preserved with large ring of islands in the approximately 30 km diameter lake. Much of the work done on West Clearwater stems from field investigations carried out in 1977 driven by the Apollo program, with a focus on the impact melt rocks and other impactites, which are well exposed on the ring of islands. To our knowledge, the Clearwater Lake impact structures have not been the focus of detailed impact geology field investigations since the 1977 expedition and the only geological map that exists is from the 1960s and is at the reconnaissance level. Our knowledge of impact cratering processes have increased substantially since this time, as have the analytical techniques available for samples. This provided the motivation for a joint Canadian-US-UK expedition to the West Clearwater Lake impact structure in August and September 2015, under the auspices of the FINESSE (Field Investigations to Enable Solar System Science and Exploration) project, part of NASA's Solar System Exploration Research Virtual Institute (SSERVI). We focus here on the impactites of the West Clearwater Lake impact structure. Other ongoing studies, also presented at this conference, focus on central uplift formation, the impact-generated hydrothermal system, xxxx and using WCIS as an analog test site for crew studies of sampling protocols].

How will coral reef fish communities respond to climate-driven disturbances? Insight from landscape-scale perturbations.

PubMed

Adam, Thomas C; Brooks, Andrew J; Holbrook, Sally J; Schmitt, Russell J; Washburn, Libe; Bernardi, Giacomo

2014-09-01

Global climate change is rapidly altering disturbance regimes in many ecosystems including coral reefs, yet the long-term impacts of these changes on ecosystem structure and function are difficult to predict. A major ecosystem service provided by coral reefs is the provisioning of physical habitat for other organisms, and consequently, many of the effects of climate change on coral reefs will be mediated by their impacts on habitat structure. Therefore, there is an urgent need to understand the independent and combined effects of coral mortality and loss of physical habitat on reef-associated biota. Here, we use a unique series of events affecting the coral reefs around the Pacific island of Moorea, French Polynesia to differentiate between the impacts of coral mortality and the degradation of physical habitat on the structure of reef fish communities. We found that, by removing large amounts of physical habitat, a tropical cyclone had larger impacts on reef fish communities than an outbreak of coral-eating sea stars that caused widespread coral mortality but left the physical structure intact. In addition, the impacts of declining structural complexity on reef fish assemblages accelerated as structure became increasingly rare. Structure provided by dead coral colonies can take up to decades to erode following coral mortality, and, consequently, our results suggest that predictions based on short-term studies are likely to grossly underestimate the long-term impacts of coral decline on reef fish communities.

Universal size properties of a star-ring polymer structure in disordered environments

NASA Astrophysics Data System (ADS)

Haydukivska, K.; Blavatska, V.

2018-03-01

We consider the complex polymer system, consisting of a ring polymer connected to the f1-branched starlike structure, in a good solvent in the presence of structural inhomogeneities. In particular cases f1=1 and f1=2 , such a system restores the synthesized tadpole-shaped polystyrenes [Doi et al., Macromolecules 46, 1075 (2013), 10.1021/ma302511j]. We assume that structural defects are correlated at large distances x according to a power law x-a. Applying the direct polymer renormalization approach, we evaluate the universal size characteristics such as the ratio of the radii of gyration of star-ring and star topologies, and compare the effective sizes of single arms in complex structures and isolated polymers of the same total molecular weight. The nontrivial impact of disorder on these quantities is analyzed.

[Epiphytic communities of arboreal formations in Southern Vietnam: an analysis of species composition and synusias structure in dependence on the extent of anthropogenic impact].

PubMed

Es'kov, A K

2013-01-01

Species composition of epiphytic communities within different formations of Phú Quôc Island (Southern Vietnam) is studied. The dependence of species composition and structural complexity of epiphytic communities on formation quality is demonstrated. Representatives of different families differ notably in their sensitivity to disturbances. Most vulnerable are Orchidaceae which represent the dominant group in epiphytic community of rain forest and which drop out almost completely under anthropogenic impacts. In less disturbed forests, epiphyte species diversity increases mainly at the expense of "lower" synusias and directly depends on the formation layering. Diminishing of layering numbers leads to dropping out of species belonging to "lower" synusias. Among epiphytes, the indicators of disturbed communities can be detected, namely species of ruderal strategy (explerents). In primal rain forest, they are absent or barely noticeable. An index is proposed for estimation of epiphytic communitiy complexity.

Intrusive origin of the Sudbury Igneous Complex: Structural and sedimentological evidence

NASA Technical Reports Server (NTRS)

Cowan, E. J.; Schwerdtner, W. M.

1992-01-01

In recent years, many geoscientists have come to believe that the Sudbury event was exogenic rather than endogenic. Critical to a recent exogenic hypothesis is the impact melt origin of the Sudbury Igneous Complex (SIC). Such origin implies that the SIC was emplaced before deposition of the Whitewater Group, in contrast to origins in which the SIC postdates the lithification of the Onaping Formation. Structural and sedimentological evidence is summarized herein that supports an intrusion of the SIC after lithification of all Whitewater Group strata, and conflicts with the hypothesis advanced by other researchers.

Semi-analytical models of hydroelastic sloshing impact in tanks of liquefied natural gas vessels.

PubMed

Ten, I; Malenica, Š; Korobkin, A

2011-07-28

The present paper deals with the methods for the evaluation of the hydroelastic interactions that appear during the violent sloshing impacts inside the tanks of liquefied natural gas carriers. The complexity of both the fluid flow and the structural behaviour (containment system and ship structure) does not allow for a fully consistent direct approach according to the present state of the art. Several simplifications are thus necessary in order to isolate the most dominant physical aspects and to treat them properly. In this paper, choice was made of semi-analytical modelling for the hydrodynamic part and finite-element modelling for the structural part. Depending on the impact type, different hydrodynamic models are proposed, and the basic principles of hydroelastic coupling are clearly described and validated with respect to the accuracy and convergence of the numerical results.

Midwives' emotional wellbeing: impact of conducting a structured antenatal psychosocial assessment (SAPSA).

PubMed

Mollart, Lyndall; Newing, Carol; Foureur, Maralyn

2009-09-01

To investigate the impact of conducting structured antenatal psychosocial assessments (SAPSA) on midwives' emotional wellbeing. The SAPSA includes screening and assessment tools for domestic violence, childhood trauma, drug and alcohol use, depression, and vulnerability factors. Registered midwives who had conducted the SAPSA with women during the first hospital booking visit at two hospitals in NSW. Data was collected by means of focus group interviews. Four sub-themes were identified that directly impacted upon the midwives' emotional wellbeing: cumulative complex disclosures, frustration and stress, lack of support for midwives and unhealthy coping strategies. There was a cumulative emotional effect with some midwives utilising unhealthy strategies to cope with feelings of frustration, inadequacy and vicarious trauma. Establishment of structured referral pathways for women and supportive systems for midwives is essential prior to implementing the SAPSA.

Protein Crystallography in Vaccine Research and Development.

PubMed

Malito, Enrico; Carfi, Andrea; Bottomley, Matthew J

2015-06-09

The use of protein X-ray crystallography for structure-based design of small-molecule drugs is well-documented and includes several notable success stories. However, it is less well-known that structural biology has emerged as a major tool for the design of novel vaccine antigens. Here, we review the important contributions that protein crystallography has made so far to vaccine research and development. We discuss several examples of the crystallographic characterization of vaccine antigen structures, alone or in complexes with ligands or receptors. We cover the critical role of high-resolution epitope mapping by reviewing structures of complexes between antigens and their cognate neutralizing, or protective, antibody fragments. Most importantly, we provide recent examples where structural insights obtained via protein crystallography have been used to design novel optimized vaccine antigens. This review aims to illustrate the value of protein crystallography in the emerging discipline of structural vaccinology and its impact on the rational design of vaccines.

Protein Crystallography in Vaccine Research and Development

PubMed Central

Malito, Enrico; Carfi, Andrea; Bottomley, Matthew J.

2015-01-01

The use of protein X-ray crystallography for structure-based design of small-molecule drugs is well-documented and includes several notable success stories. However, it is less well-known that structural biology has emerged as a major tool for the design of novel vaccine antigens. Here, we review the important contributions that protein crystallography has made so far to vaccine research and development. We discuss several examples of the crystallographic characterization of vaccine antigen structures, alone or in complexes with ligands or receptors. We cover the critical role of high-resolution epitope mapping by reviewing structures of complexes between antigens and their cognate neutralizing, or protective, antibody fragments. Most importantly, we provide recent examples where structural insights obtained via protein crystallography have been used to design novel optimized vaccine antigens. This review aims to illustrate the value of protein crystallography in the emerging discipline of structural vaccinology and its impact on the rational design of vaccines. PMID:26068237

The diverse and expanding role of mass spectrometry in structural and molecular biology.

PubMed

Lössl, Philip; van de Waterbeemd, Michiel; Heck, Albert Jr

2016-12-15

The emergence of proteomics has led to major technological advances in mass spectrometry (MS). These advancements not only benefitted MS-based high-throughput proteomics but also increased the impact of mass spectrometry on the field of structural and molecular biology. Here, we review how state-of-the-art MS methods, including native MS, top-down protein sequencing, cross-linking-MS, and hydrogen-deuterium exchange-MS, nowadays enable the characterization of biomolecular structures, functions, and interactions. In particular, we focus on the role of mass spectrometry in integrated structural and molecular biology investigations of biological macromolecular complexes and cellular machineries, highlighting work on CRISPR-Cas systems and eukaryotic transcription complexes. © 2016 The Authors. Published under the terms of the CC BY NC ND 4.0 license.

Retention of Habitat Complexity Minimizes Disassembly of Reef Fish Communities following Disturbance: A Large-Scale Natural Experiment

PubMed Central

Emslie, Michael J.; Cheal, Alistair J.; Johns, Kerryn A.

2014-01-01

High biodiversity ecosystems are commonly associated with complex habitats. Coral reefs are highly diverse ecosystems, but are under increasing pressure from numerous stressors, many of which reduce live coral cover and habitat complexity with concomitant effects on other organisms such as reef fishes. While previous studies have highlighted the importance of habitat complexity in structuring reef fish communities, they employed gradient or meta-analyses which lacked a controlled experimental design over broad spatial scales to explicitly separate the influence of live coral cover from overall habitat complexity. Here a natural experiment using a long term (20 year), spatially extensive (∼115,000 kms2) dataset from the Great Barrier Reef revealed the fundamental importance of overall habitat complexity for reef fishes. Reductions of both live coral cover and habitat complexity had substantial impacts on fish communities compared to relatively minor impacts after major reductions in coral cover but not habitat complexity. Where habitat complexity was substantially reduced, species abundances broadly declined and a far greater number of fish species were locally extirpated, including economically important fishes. This resulted in decreased species richness and a loss of diversity within functional groups. Our results suggest that the retention of habitat complexity following disturbances can ameliorate the impacts of coral declines on reef fishes, so preserving their capacity to perform important functional roles essential to reef resilience. These results add to a growing body of evidence about the importance of habitat complexity for reef fishes, and represent the first large-scale examination of this question on the Great Barrier Reef. PMID:25140801

Retention of habitat complexity minimizes disassembly of reef fish communities following disturbance: a large-scale natural experiment.

PubMed

Emslie, Michael J; Cheal, Alistair J; Johns, Kerryn A

2014-01-01

High biodiversity ecosystems are commonly associated with complex habitats. Coral reefs are highly diverse ecosystems, but are under increasing pressure from numerous stressors, many of which reduce live coral cover and habitat complexity with concomitant effects on other organisms such as reef fishes. While previous studies have highlighted the importance of habitat complexity in structuring reef fish communities, they employed gradient or meta-analyses which lacked a controlled experimental design over broad spatial scales to explicitly separate the influence of live coral cover from overall habitat complexity. Here a natural experiment using a long term (20 year), spatially extensive (∼ 115,000 kms(2)) dataset from the Great Barrier Reef revealed the fundamental importance of overall habitat complexity for reef fishes. Reductions of both live coral cover and habitat complexity had substantial impacts on fish communities compared to relatively minor impacts after major reductions in coral cover but not habitat complexity. Where habitat complexity was substantially reduced, species abundances broadly declined and a far greater number of fish species were locally extirpated, including economically important fishes. This resulted in decreased species richness and a loss of diversity within functional groups. Our results suggest that the retention of habitat complexity following disturbances can ameliorate the impacts of coral declines on reef fishes, so preserving their capacity to perform important functional roles essential to reef resilience. These results add to a growing body of evidence about the importance of habitat complexity for reef fishes, and represent the first large-scale examination of this question on the Great Barrier Reef.

Hydro-meteorological risk reduction and climate change adaptation in the Sava River Basin

NASA Astrophysics Data System (ADS)

Brilly, Mitja; Šraj, Mojca; Kryžanowski, Andrej

2017-04-01

The Sava River Basin covered the teritory of several countries. There were, in past thirty years, several flood hazard events with almost hundred years return period. Parts of the basin suffer by severe droughts also. In the presentation we covered questions of: • Flood hazard in complex hydrology structure • Landslide and flush flood in mountainous regions • Floods on karst polje • Flood risk management in the complex international and hydrological condition. • Impact of man made structures: hydropower storages, inundation ponds, river regulation, alternate streams, levees system, pumping stations, Natura 2000 areas etc. • How to manage droughts in the international river basin The basin is well covered by information and managed by international the SRB Commission (http://savacommission.org/) that could help. We develop study for climate change impact on floods on entire river basin financing by UNECE. There is also study provide climate change impact on the water management provide by World Bank and on which we take part. Recently is out call by world bank for study »Flood risk management plan for the SRB«.

Specific Fluorine Labeling of the HyHEL10 Antibody Affects Antigen Binding and Dynamics

PubMed Central

Acchione, Mauro; Lee, Yi-Chien; DeSantis, Morgan E.; Lipschultz, Claudia A.; Wlodawer, Alexander; Li, Mi; Shanmuganathan, Aranganathan; Walter, Richard L.; Smith-Gill, Sandra; Barchi, Joseph J.

2012-01-01

To more fully understand the molecular mechanisms responsible for variations in binding affinity with antibody maturation, we explored the use of site specific fluorine labeling and 19F nuclear magnetic resonance (NMR). Several single-chain (scFv) antibodies, derived from an affinity-matured series of anti-hen egg white lysozyme (HEL) mouse IgG1, were constructed with either complete or individual replacement of tryptophan residues with 5-fluorotryptophan (5FW). An array of biophysical techniques was used to gain insight into the impact of fluorine substitution on the overall protein structure and antigen binding. SPR measurements indicated that 5FW incorporation lowered binding affinity for the HEL antigen. The degree of analogue impact was residue-dependent, and the greatest decrease in affinity was observed when 5FW was substituted for residues near the binding interface. In contrast, corresponding crystal structures in complex with HEL were essentially indistinguishable from the unsubstituted antibody. 19F NMR analysis showed severe overlap of signals in the free fluorinated protein that was resolved upon binding to antigen, suggesting very distinct chemical environments for each 5FW in the complex. Preliminary relaxation analysis suggested the presence of chemical exchange in the antibody–antigen complex that could not be observed by X-ray crystallography. These data demonstrate that fluorine NMR can be an extremely useful tool for discerning structural changes in scFv antibody–antigen complexes with altered function that may not be discernible by other biophysical techniques. PMID:22769726

Fiber Diffraction of the Prion-Forming Domain HET-s(218-289) Shows Dehydration-Induced Deformation of a Complex Amyloid Structure

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

Wan, William; Stubbs, Gerald

2014-05-01

Amyloids are filamentous protein aggregates that can be formed by many different proteins and are associated with both disease and biological functions. The pathogenicities or biological functions of amyloids are determined by their particular molecular structures, making accurate structural models a requirement for understanding their biological effects. One potential factor that can affect amyloid structures is hydration. Previous studies of simple stacked β-sheet amyloids have suggested that dehydration does not impact structure, but other studies indicated dehydration-related structural changes of a putative water-filled nanotube. Our results show that dehydration significantly affects the molecular structure of the fungal prion-forming domain HET-s(218–289),more » which forms a β-solenoid with no internal solvent-accessible regions. The dehydration-related structural deformation of HET-s(218–289) indicates that water can play a significant role in complex amyloid structures, even when no obvious water-accessible cavities are present.« less

Influence of Na+ and Mg2+ ions on RNA structures studied with molecular dynamics simulations.

PubMed

Fischer, Nina M; Polêto, Marcelo D; Steuer, Jakob; van der Spoel, David

2018-06-01

The structure of ribonucleic acid (RNA) polymers is strongly dependent on the presence of, in particular Mg2+ cations to stabilize structural features. Only in high-resolution X-ray crystallography structures can ions be identified reliably. Here, we perform molecular dynamics simulations of 24 RNA structures with varying ion concentrations. Twelve of the structures were helical and the others complex folded. The aim of the study is to predict ion positions but also to evaluate the impact of different types of ions (Na+ or Mg2+) and the ionic strength on structural stability and variations of RNA. As a general conclusion Mg2+ is found to conserve the experimental structure better than Na+ and, where experimental ion positions are available, they can be reproduced with reasonable accuracy. If a large surplus of ions is present the added electrostatic screening makes prediction of binding-sites less reproducible. Distinct differences in ion-binding between helical and complex folded structures are found. The strength of binding (ΔG‡ for breaking RNA atom-ion interactions) is found to differ between roughly 10 and 26 kJ/mol for the different RNA atoms. Differences in stability between helical and complex folded structures and of the influence of metal ions on either are discussed.

Interrelation between Structure Magnetic Properties in La0.5Sr0.5CoO3

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

Biegalski, Michael D; Takamura, Y; Mehta, A

Differing anisotropic strain induced from the underlying substrates not only control the long-range structural symmetries in La0.5Sr0.5CoO3 but also impact the magnetic properties of these epitaxial thin films. The two dominant structural distortions: oxygen octahedral tilts and epitaxial strain, however, have complex and non-intuitive effects on the splitting of the t2g states and consequently on magnetization.

Design and 4D Printing of Cross-Folded Origami Structures: A Preliminary Investigation.

PubMed

Teoh, Joanne Ee Mei; An, Jia; Feng, Xiaofan; Zhao, Yue; Chua, Chee Kai; Liu, Yong

2018-03-03

In 4D printing research, different types of complex structure folding and unfolding have been investigated. However, research on cross-folding of origami structures (defined as a folding structure with at least two overlapping folds) has not been reported. This research focuses on the investigation of cross-folding structures using multi-material components along different axes and different horizontal hinge thickness with single homogeneous material. Tensile tests were conducted to determine the impact of multi-material components and horizontal hinge thickness. In the case of multi-material structures, the hybrid material composition has a significant impact on the overall maximum strain and Young's modulus properties. In the case of single material structures, the shape recovery speed is inversely proportional to the horizontal hinge thickness, while the flexural or bending strength is proportional to the horizontal hinge thickness. A hinge with a thickness of 0.5 mm could be folded three times prior to fracture whilst a hinge with a thickness of 0.3 mm could be folded only once prior to fracture. A hinge with a thickness of 0.1 mm could not even be folded without cracking. The introduction of a physical hole in the center of the folding/unfolding line provided stress relief and prevented fracture. A complex flower petal shape was used to successfully demonstrate the implementation of overlapping and non-overlapping folding lines using both single material segments and multi-material segments. Design guidelines for establishing cross-folding structures using multi-material components along different axes and different horizontal hinge thicknesses with single or homogeneous material were established. These guidelines can be used to design and implement complex origami structures with overlapping and non-overlapping folding lines. Combined overlapping folding structures could be implemented and allocating specific hole locations in the overall designs could be further explored. In addition, creating a more precise prediction by investigating sets of in between hinge thicknesses and comparing the folding times before fracture, will be the subject of future work.

Upper trophic structure in the Atlantic Patagonian shelf break as inferred from stable isotope analysis

NASA Astrophysics Data System (ADS)

Zhu, Guoping; Zhang, Haiting; Yang, Yang; Wang, Shaoqin; Wei, Lian; Yang, Qingyuan

2017-09-01

The Patagonian Shelf is a very productive region with different ecosystem structures. A long history of fishing in the Southwestern Atlantic Ocean combined with a complex hydrographic structure, with a permanent front over the shelf-break and different coastal frontal regions, and a wide non-frontal area in between have made the food web in this area more complex and have resulted in changes to the spatial-temporal scale. Stable isotopes of carbon and nitrogen were used to determine the trophic structure of the Patagonian shelf break which was previously poorly understood. The results indicated that the average δ15N value of pelagic guild (Illex argentinus) was remarkable lower than those of the other guilds. The δ13C values of almost all species ranged from -17‰ to -18‰, but Stromateus brasiliensis had a significant lower δ13C value. Compared with the southern Patagonian shelf, short food chain length also occurred. The impact of complex oceanographic structures has resulted in food web structure change to the temporal-spatial scale on the Patagonian shelf. The Patagonian shelf break can be considered as a separated ecosystem structure with lower δ15N values.

The interplay between habitat structure and chemical contaminants on biotic responses of benthic organisms

PubMed Central

Matias, Miguel G.; Coleman, Ross A.

2016-01-01

Habitat structure influences the diversity and distribution of organisms, potentially affecting their response to disturbances by either affecting their ‘susceptibility’ or through the provision of resources that can mitigate impacts of disturbances. Chemical disturbances due to contamination are associated with decreases in diversity and functioning of systems and are also likely to increase due to coastal urbanisation. Understanding how habitat structure interacts with contaminants is essential to predict and therefore manage such effects, minimising their consequences to marine systems. Here, we manipulated two structurally different habitats and exposed them to different types of contaminants. The effects of contamination and habitat structure interacted, affecting species richness. More complex experimental habitats were colonized by a greater diversity of organisms than the less complex habitats. These differences disappeared, however, when habitats were exposed to contaminants, suggesting that contaminants can override effects of habitats structure at small spatial scales. These results provide insight into the complex ways that habitat structure and contamination interact and the need to incorporate evidence of biotic responses from individual disturbances to multiple stressors. Such effects need to be taken into account when designing and planning management and conservation strategies to natural systems. PMID:27168991

Processing Speed in Children: Examination of the Structure in Middle Childhood and Its Impact on Reading

ERIC Educational Resources Information Center

Gerst, Elyssa H.

2017-01-01

The primary aim of this study was to examine the structure of processing speed (PS) in middle childhood by comparing five theoretically driven models of PS. The models consisted of two conceptual models (a unitary model, a complexity model) and three methodological models (a stimulus material model, an output modality model, and a timing modality…

Seven decades of change in forest structure and composition in Pinus resinosa forests in northern Minnesota, USA: Comparing managed and unmanaged conditions

Treesearch

Brian D. Young; Anthony W. D' Amato; Christel C. Kern; Douglas N. Kastendick; Brian J. Palik

2017-01-01

An understanding of long-term patterns of forest structural and compositional development is critical for anticipating management outcomes and developing appropriate silvicultural strategies for restoring complex forest conditions. In most cases, this information comes from stand-level assessments; however, the impacts and outcomes of management and other disturbances...

DETERMINANTS OF NETWORK OUTCOMES: THE IMPACT OF MANAGEMENT STRATEGIES

PubMed Central

YSA, TAMYKO; SIERRA, VICENTA; ESTEVE, MARC

2014-01-01

The literature on network management is extensive. However, it generally explores network structures, neglecting the impact of management strategies. In this article we assess the effect of management strategies on network outcomes, providing empirical evidence from 119 urban revitalization networks. We go beyond current work by testing a path model for the determinants of network outcomes and considering the interactions between the constructs: management strategies, trust, complexity, and facilitative leadership. Our results suggest that management strategies have a strong effect on network outcomes and that they enhance the level of trust. We also found that facilitative leadership has a positive impact on network management as well as on trust in the network. Our findings also show that complexity has a negative impact on trust. A key finding of our research is that managers may wield more influence on network dynamics than previously theorized. PMID:25520529

DETERMINANTS OF NETWORK OUTCOMES: THE IMPACT OF MANAGEMENT STRATEGIES.

PubMed

Ysa, Tamyko; Sierra, Vicenta; Esteve, Marc

2014-09-01

The literature on network management is extensive. However, it generally explores network structures, neglecting the impact of management strategies. In this article we assess the effect of management strategies on network outcomes, providing empirical evidence from 119 urban revitalization networks. We go beyond current work by testing a path model for the determinants of network outcomes and considering the interactions between the constructs: management strategies, trust, complexity, and facilitative leadership. Our results suggest that management strategies have a strong effect on network outcomes and that they enhance the level of trust. We also found that facilitative leadership has a positive impact on network management as well as on trust in the network. Our findings also show that complexity has a negative impact on trust. A key finding of our research is that managers may wield more influence on network dynamics than previously theorized.

A search for Potential Impact Sites in Southern Argentina

NASA Astrophysics Data System (ADS)

Rocca, M. C. L.

The Southern part of Argentina is composed of five Provinces; Tierra del Fuego, Santa Cruz, Chubut, Rio Negro and Neuquen. A search for potential impact sites was performed by the author through the examination of 76 color LANDSAT satellite images ( 1:250,000 - resolution = 250 meters ) at the Instituto Geografico Militar ( IGM ) of Buenos Aires city. When a potential candidate was found a more detailed study of the site was done. If available the radar X-SAR satellite images of the Deutsche Forschungsanstalt fur Luft-und Raumfahrt, (DLR), Berlin, Germany , were also examined. The final step was to perform a review of the available published geologic information of each site at the Servicio Geologico y Minero Argentino ( SEGEMAR ), ( =Geological Survey of Argentina ), in Buenos Aires. The resulting catalogue contains information about sites where possible simple crater or complex impact structures could be present. Each case demands future detailed and `in situ' research by an impact cratering specialist. --Tierra del Fuego: TF1 ) Ushuaia 5569-II, No 218. Cerro Taarsh, Estancia San Justo. Possible complex structure. Semi-circular area of concentric low ridges. Estimated diameter : 12 km. Probably very eroded. --Santa Cruz: SC1 ) Gobernador Gregores 4969-I, No 127. Estancia La Aragonesa Possible eroded complex structure. Circular area of low ridges, estimated diameter: 10 km.. Bull's eye like morphology. SC2 ) Gobernador Gregores 4969-I, No 127. Gran Altiplanicie Central. Possible simple crater in basalts. Diameter: 1 km.. SC3 ) Tres Lagos 4972-IV, No 106. Meseta del Bagual Chico. Possible perfectly circular simple crater in basalts. Diameter: 1.0 km.. SC4 )Paso Rio Bote 5172-II, No 20. Rio Pelque, Ruta Provincial No 5. A circular bowl-shaped structure is present on fluvial deposits of pleistocenic age. Diameter: 3.5 km.. SC5 ) Caleta Olivia 4769-II, No 28. North of Cerro Doce Grande. Possible complex structure of concentric circular rings of ridges. SC6 ) Caleta Olivia 4769-II, No 28. NW shore of Laguna Sirven. Possible simple crater of 2.5 km. Most probably, the circular crater is a basaltic caldera of upper Miocene's age. SC7 ) Destacamento La Maria 4769-II, No 188. Estancia Los Mellizos, Ruta Provincial No 39. Possible eroded and covered complex structure. In this site there is a semi-circular feature of ridges and low hills. Diameter: 15 km. Topographic map shows the same pattern. The DLR's X-SAR images show a clear semi-circular feature of ridges and hills in this site. SC8 ) Hipolito Irigoyen 4772-IV, No 116. Meseta del Lago Buenos Aires. Possible perfectly circular simple crater of 1 Km. Neuquen: N1 ) Picun Leufu 3969-III No 14. Meseta de la Barda Negra. Nice perfectly circular possible simple crater in black Miocene's ( 14-10 Ma ) basaltic plateau. Diameter: 1.5 km.. Possible raised rim. Fresh aspect. No visible lava flows .

Structural Information Inference from Lanthanoid Complexing Systems: Photoluminescence Studies on Isolated Ions

NASA Astrophysics Data System (ADS)

Greisch, Jean Francois; Harding, Michael E.; Chmela, Jiri; Klopper, Willem M.; Schooss, Detlef; Kappes, Manfred M.

2016-06-01

The application of lanthanoid complexes ranges from photovoltaics and light-emitting diodes to quantum memories and biological assays. Rationalization of their design requires a thorough understanding of intramolecular processes such as energy transfer, charge transfer, and non-radiative decay involving their subunits. Characterization of the excited states of such complexes considerably benefits from mass spectrometric methods since the associated optical transitions and processes are strongly affected by stoichiometry, symmetry, and overall charge state. We report herein spectroscopic measurements on ensembles of ions trapped in the gas phase and soft-landed in neon matrices. Their interpretation is considerably facilitated by direct comparison with computations. The combination of energy- and time-resolved measurements on isolated species with density functional as well as ligand-field and Franck-Condon computations enables us to infer structural as well as dynamical information about the species studied. The approach is first illustrated for sets of model lanthanoid complexes whose structure and electronic properties are systematically varied via the substitution of one component (lanthanoid or alkali,alkali-earth ion): (i) systematic dependence of ligand-centered phosphorescence on the lanthanoid(III) promotion energy and its impact on sensitization, and (ii) structural changes induced by the substitution of alkali or alkali-earth ions in relation with structures inferred using ion mobility spectroscopy. The temperature dependence of sensitization is briefly discussed. The focus is then shifted to measurements involving europium complexes with doxycycline an antibiotic of the tetracycline family. Besides discussing the complexes' structural and electronic features, we report on their use to monitor enzymatic processes involving hydrogen peroxide or biologically relevant molecules such as adenosine triphosphate (ATP).

Impact of Financial Structure on the Cost of Solar Energy

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

Mendelsohn, M.; Kreycik, C.; Bird, L.

2012-03-01

To stimulate investment in renewable energy generation projects, the federal government developed a series of support structures that reduce taxes for eligible investors--the investment tax credit, the production tax credit, and accelerated depreciation. The nature of these tax incentives often requires an outside investor and a complex financial arrangement to allocate risk and reward among the parties. These financial arrangements are generally categorized as 'advanced financial structures.' Among renewable energy technologies, advanced financial structures were first widely deployed by the wind industry and are now being explored by the solar industry to support significant scale-up in project development. This reportmore » describes four of the most prevalent financial structures used by the renewable sector and evaluates the impact of financial structure on energy costs for utility-scale solar projects that use photovoltaic and concentrating solar power technologies.« less

An integrated map of structural variation in 2,504 human genomes.

PubMed

Sudmant, Peter H; Rausch, Tobias; Gardner, Eugene J; Handsaker, Robert E; Abyzov, Alexej; Huddleston, John; Zhang, Yan; Ye, Kai; Jun, Goo; Fritz, Markus Hsi-Yang; Konkel, Miriam K; Malhotra, Ankit; Stütz, Adrian M; Shi, Xinghua; Casale, Francesco Paolo; Chen, Jieming; Hormozdiari, Fereydoun; Dayama, Gargi; Chen, Ken; Malig, Maika; Chaisson, Mark J P; Walter, Klaudia; Meiers, Sascha; Kashin, Seva; Garrison, Erik; Auton, Adam; Lam, Hugo Y K; Mu, Xinmeng Jasmine; Alkan, Can; Antaki, Danny; Bae, Taejeong; Cerveira, Eliza; Chines, Peter; Chong, Zechen; Clarke, Laura; Dal, Elif; Ding, Li; Emery, Sarah; Fan, Xian; Gujral, Madhusudan; Kahveci, Fatma; Kidd, Jeffrey M; Kong, Yu; Lameijer, Eric-Wubbo; McCarthy, Shane; Flicek, Paul; Gibbs, Richard A; Marth, Gabor; Mason, Christopher E; Menelaou, Androniki; Muzny, Donna M; Nelson, Bradley J; Noor, Amina; Parrish, Nicholas F; Pendleton, Matthew; Quitadamo, Andrew; Raeder, Benjamin; Schadt, Eric E; Romanovitch, Mallory; Schlattl, Andreas; Sebra, Robert; Shabalin, Andrey A; Untergasser, Andreas; Walker, Jerilyn A; Wang, Min; Yu, Fuli; Zhang, Chengsheng; Zhang, Jing; Zheng-Bradley, Xiangqun; Zhou, Wanding; Zichner, Thomas; Sebat, Jonathan; Batzer, Mark A; McCarroll, Steven A; Mills, Ryan E; Gerstein, Mark B; Bashir, Ali; Stegle, Oliver; Devine, Scott E; Lee, Charles; Eichler, Evan E; Korbel, Jan O

2015-10-01

Structural variants are implicated in numerous diseases and make up the majority of varying nucleotides among human genomes. Here we describe an integrated set of eight structural variant classes comprising both balanced and unbalanced variants, which we constructed using short-read DNA sequencing data and statistically phased onto haplotype blocks in 26 human populations. Analysing this set, we identify numerous gene-intersecting structural variants exhibiting population stratification and describe naturally occurring homozygous gene knockouts that suggest the dispensability of a variety of human genes. We demonstrate that structural variants are enriched on haplotypes identified by genome-wide association studies and exhibit enrichment for expression quantitative trait loci. Additionally, we uncover appreciable levels of structural variant complexity at different scales, including genic loci subject to clusters of repeated rearrangement and complex structural variants with multiple breakpoints likely to have formed through individual mutational events. Our catalogue will enhance future studies into structural variant demography, functional impact and disease association.

Structural study of Ni- or Mg-based complexes incorporated within UiO-66-NH{sub 2} framework and their impact on hydrogen sorption properties

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

Žunkovič, E.; Mazaj, M.; Mali, G.

2015-05-15

Nickel and magnesium acetylacetonate molecular complexes were post-synthetically incorporated into microporous zirconium-based MOF (UiO-66-NH{sub 2}) in order to introduce active open-metal sites for hydrogen sorption. Elemental analysis, nitrogen physisorption and DFT calculations revealed that 5 molecules of Ni(acac){sub 2} or 2 molecules of Mg(acac){sub 2} were incorporated into one unit cell of UiO-66-NH{sub 2}. {sup 1}H–{sup 13}C CPMAS and {sup 1}H MAS NMR spectroscopy showed that, although embedded within the pores, both Ni- and Mg-complexes interacted with the UiO-66-NH{sub 2} framework only through weak van der Waals bonds. Inclusion of metal complexes led to the decrease of hydrogen sorption capacitiesmore » in Ni-modified as well as in Mg-modified samples in comparison with the parent UiO-66-NH{sub 2}. The isosteric hydrogen adsorption enthalpy slightly increased in the case of Ni-modified material, but not in the case of Mg-modified analogue. - Graphical abstract: A post-synthesis impregnation of Mg- and Ni-acetylacetonate complexes performed on zirconium-based MOF UiO-66-NH{sub 2} does influence the hydrogen sorption performance with respect to the parent matrix. The structural study revealed that Mg- and Ni-acetylacetonate molecules interact with zirconium-terephthalate framework only by weak interactions and they are not covalently bonded to aminoterephthalate ligand. Still, they remain confined into the pores even after hydrogen sorption experiments. - Highlights: • Mg- and Ni-acetylacetonate molecules embedded in the pores of UiO-66-NH{sub 2} by PSM. • Molecules of complexes interact with framework only by van der Waals interactions. • Type/structure of deposited metal-complex impact hydrogen enthalpy of adsorption.« less

Impact of environmental inputs on reverse-engineering approach to network structures.

PubMed

Wu, Jianhua; Sinfield, James L; Buchanan-Wollaston, Vicky; Feng, Jianfeng

2009-12-04

Uncovering complex network structures from a biological system is one of the main topic in system biology. The network structures can be inferred by the dynamical Bayesian network or Granger causality, but neither techniques have seriously taken into account the impact of environmental inputs. With considerations of natural rhythmic dynamics of biological data, we propose a system biology approach to reveal the impact of environmental inputs on network structures. We first represent the environmental inputs by a harmonic oscillator and combine them with Granger causality to identify environmental inputs and then uncover the causal network structures. We also generalize it to multiple harmonic oscillators to represent various exogenous influences. This system approach is extensively tested with toy models and successfully applied to a real biological network of microarray data of the flowering genes of the model plant Arabidopsis Thaliana. The aim is to identify those genes that are directly affected by the presence of the sunlight and uncover the interactive network structures associating with flowering metabolism. We demonstrate that environmental inputs are crucial for correctly inferring network structures. Harmonic causal method is proved to be a powerful technique to detect environment inputs and uncover network structures, especially when the biological data exhibit periodic oscillations.

Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes

PubMed Central

Sheng, Gang; Gogakos, Tasos; Wang, Jiuyu; Zhao, Hongtu; Serganov, Artem; Juranek, Stefan

2017-01-01

Abstract We have undertaken a systematic structural study of Thermus thermophilus Argonaute (TtAgo) ternary complexes containing single-base bulges positioned either within the seed segment of the guide or target strands and at the cleavage site. Our studies establish that single-base bulges 7T8, 5A6 and 4A5 on the guide strand are stacked-into the duplex, with conformational changes localized to the bulge site, thereby having minimal impact on the cleavage site. By contrast, single-base bulges 6’U7’ and 6’A7’ on the target strand are looped-out of the duplex, with the resulting conformational transitions shifting the cleavable phosphate by one step. We observe a stable alignment for the looped-out 6’N7’ bulge base, which stacks on the unpaired first base of the guide strand, with the looped-out alignment facilitated by weakened Watson–Crick and reversed non-canonical flanking pairs. These structural studies are complemented by cleavage assays that independently monitor the impact of bulges on TtAgo-mediated cleavage reaction. PMID:28911094

Understanding Long-Term Variations in an Elephant Piosphere Effect to Manage Impacts

PubMed Central

Landman, Marietjie; Schoeman, David S.; Hall-Martin, Anthony J.; Kerley, Graham I. H.

2012-01-01

Surface water availability is a key driver of elephant impacts on biological diversity. Thus, understanding the spatio-temporal variations of these impacts in relation to water is critical to their management. However, elephant piosphere effects (i.e. the radial pattern of attenuating impact) are poorly described, with few long-term quantitative studies. Our understanding is further confounded by the complexity of systems with elephant (i.e. fenced, multiple water points, seasonal water availability, varying population densities) that likely limit the use of conceptual models to predict these impacts. Using 31 years of data on shrub structure in the succulent thickets of the Addo Elephant National Park, South Africa, we tested elephant effects at a single water point. Shrub structure showed a clear sigmoid response with distance from water, declining at both the upper and lower limits of sampling. Adjacent to water, this decline caused a roughly 300-m radial expansion of the grass-dominated habitats that replace shrub communities. Despite the clear relationship between shrub structure and ecological functioning in thicket, the extent of elephant effects varied between these features with distance from water. Moreover, these patterns co-varied with other confounding variables (e.g. the location of neighboring water points), which limits our ability to predict such effects in the absence of long-term data. We predict that elephant have the ability to cause severe transformation in succulent thicket habitats with abundant water supply and elevated elephant numbers. However, these piosphere effects are complex, suggesting that a more integrated understanding of elephant impacts on ecological heterogeneity may be required before water availability is used as a tool to manage impacts. We caution against the establishment of water points in novel succulent thicket habitats, and advocate a significant reduction in water provisioning at our study site, albeit with greater impacts at each water point. PMID:23028942

Understanding long-term variations in an elephant piosphere effect to manage impacts.

PubMed

Landman, Marietjie; Schoeman, David S; Hall-Martin, Anthony J; Kerley, Graham I H

2012-01-01

Surface water availability is a key driver of elephant impacts on biological diversity. Thus, understanding the spatio-temporal variations of these impacts in relation to water is critical to their management. However, elephant piosphere effects (i.e. the radial pattern of attenuating impact) are poorly described, with few long-term quantitative studies. Our understanding is further confounded by the complexity of systems with elephant (i.e. fenced, multiple water points, seasonal water availability, varying population densities) that likely limit the use of conceptual models to predict these impacts. Using 31 years of data on shrub structure in the succulent thickets of the Addo Elephant National Park, South Africa, we tested elephant effects at a single water point. Shrub structure showed a clear sigmoid response with distance from water, declining at both the upper and lower limits of sampling. Adjacent to water, this decline caused a roughly 300-m radial expansion of the grass-dominated habitats that replace shrub communities. Despite the clear relationship between shrub structure and ecological functioning in thicket, the extent of elephant effects varied between these features with distance from water. Moreover, these patterns co-varied with other confounding variables (e.g. the location of neighboring water points), which limits our ability to predict such effects in the absence of long-term data. We predict that elephant have the ability to cause severe transformation in succulent thicket habitats with abundant water supply and elevated elephant numbers. However, these piosphere effects are complex, suggesting that a more integrated understanding of elephant impacts on ecological heterogeneity may be required before water availability is used as a tool to manage impacts. We caution against the establishment of water points in novel succulent thicket habitats, and advocate a significant reduction in water provisioning at our study site, albeit with greater impacts at each water point.

A distal point mutation in the streptavidin-biotin complex preserves structure but diminishes binding affinity: experimental evidence of electronic polarization effects?

PubMed

Baugh, Loren; Le Trong, Isolde; Cerutti, David S; Gülich, Susanne; Stayton, Patrick S; Stenkamp, Ronald E; Lybrand, Terry P

2010-06-08

We have identified a distal point mutation in streptavidin that causes a 1000-fold reduction in biotin binding affinity without disrupting the equilibrium complex structure. The F130L mutation creates a small cavity occupied by a water molecule; however, all neighboring side chain positions are preserved, and protein-biotin hydrogen bonds are unperturbed. Molecular dynamics simulations reveal a reduced mobility of biotin binding residues but no observable destabilization of protein-ligand interactions. Our combined structural and computational studies suggest that the additional water molecule may affect binding affinity through an electronic polarization effect that impacts the highly cooperative hydrogen bonding network in the biotin binding pocket.

Impact Behaviour of Soft Body Projectiles

NASA Astrophysics Data System (ADS)

Kalam, Sayyad Abdul; Rayavarapu, Vijaya Kumar; Ginka, Ranga Janardhana

2018-02-01

Bird strike analysis is a common type of analysis done during the design and analysis of primary structures such as engine cowlings or fuselage panels. These simulations are done in order to predict whether various designs will pass the necessary certification tests. Composite materials are increasingly being used in aerospace industry and bird strike is a major threat which may lead to serious structural damage of those materials. Such phenomenon may arise from numerous impact scenarios. The focus of current study is on the finite element modeling for composite structures and simulation of high velocity impact loads from soft body projectiles with an explicit dynamics code AUTODYN. This paper investigates the methodology which can be utilized to certify an aircraft for bird strike resistance using computational technique by first demonstrating the accuracy of the method for bird impact on rigid target modeling and then applies the developed model to a more complex problem. The model developed for bird strike threat assessment incorporates parameters of bird number (bird density), bird body mass, equation of state (EOS) and bird path during impact.

The Waqf as Suwwan crater, Eastern Desert of Jordan: aspects of the deep structure of an oblique impact from reflection seismic and gravity data

NASA Astrophysics Data System (ADS)

Heinrichs, Till; Salameh, Elias; Khouri, Hani

2014-01-01

The deeply eroded Waqf as Suwwan ring structure was recently discovered to be a large impact, the first identified in the near east. Large-scale reflection seismic structure shows the impact situated high on the northeastern flank of the Jordan Uplift sloping into Wadi Sirhan Basin. If exhumation is linked to the Arabia-Eurasia collision, a likely time window for the impact event may be latest Eocene to Late Oligocene. Impact into a shallow sea seems an optional scenario. Old reflection seismic lines offer limited insight into the deep structure of the rim and part of the central uplift of the complex crater. An important structural clue is provided by a well-resolved seismic horizon of a yet tentative correlation with a Paleozoic black shale. The central gravity high is compatible with a mass surplus by the uplift of denser Paleozoic basement below the central uplift. The gravity model further indicates a ring of dense Paleozoic sediments rising from below into the ring syncline. Seismics show presumably radial synclines in the central uplift which are interpreted by centripetal constrictional flow during crater collapse. Beneath the final crater's outer boundary, a shallow-dip normal fault zone, subtle seismic structure in uncollapsed footwall segments reveal an asymmetry of strain. The asymmetry is attributed to the cratering flow by an oblique impact directed toward NE. The finding provides independent support to an earlier suggestion of impact obliquity based on vergency of folds exposed on the central uplift.

Cd(II) complexes with different nuclearity and dimensionality based on 3-hydrazino-4-amino-1,2,4-triazole

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

Xu, Cai-Xia; Zhang, Jian-Guo, E-mail: zjgbit@bit.edu.cn; Yin, Xin

2015-03-15

A series of zero- to two-dimensional Cd(II) coordination compounds have been synthesized by the reaction of Cd(II) salts and 3-hydrazino-4-amino-1,2,4-triazole di-hydrochloride (HATr·2HCl). [CdCl{sub 2}(HATr){sub 2}] (1) and [Cd{sub 2}Cl{sub 4}(HATr){sub 2}(H{sub 2}O){sub 2}] (2) have discrete mononuclear and binuclear structures, respectively. [Cd(HATr){sub 2}(ClO{sub 4}){sub 2}]{sub n} (3) presents polymeric 1-D chain and [Cd{sub 2}(NO{sub 3}){sub 2}Cl{sub 2}(HATr){sub 2}]{sub n} (4) shows 2-D frameworks. All Cd(II) ions exhibit distorted octahedral configurations in 1–3, whilst both hexa and heptacoordinated Cd(II) are formed in 4. The HATr ligands adopt chelating coordinated mode in 1, while tri-dentate bridging–chelating mode in 2–4. The chloride ionmore » is a mono-coordinated ligand in 1 and 2, but it bridges two adjacent metal ions in 4. Furthermore, thermal behaviors have been investigated and the results reveal that all complexes have good thermal stability. The impact sensitivity test indicates that complex 3 is sensitive to impact stimuli. - Graphical abstract: Four Cd(II) complexes based on 3-hydrazino-4-amino-1,2,4-triazole ligands exhibit diverse structures from mononuclear to 2D networks. - Highlights: • Cd(II) complexes containing 3-hydrazino-4-amino-1,2,4-triazole ligands. • Mononuclear, binuclear, 1-D and 2-D structures. • Good thermal stability. • Thermal decomposition kinetics.« less

Natural shorelines promote the stability of fish communities in an urbanized coastal system.

PubMed

Scyphers, Steven B; Gouhier, Tarik C; Grabowski, Jonathan H; Beck, Michael W; Mareska, John; Powers, Sean P

2015-01-01

Habitat loss and fragmentation are leading causes of species extinctions in terrestrial, aquatic and marine systems. Along coastlines, natural habitats support high biodiversity and valuable ecosystem services but are often replaced with engineered structures for coastal protection or erosion control. We coupled high-resolution shoreline condition data with an eleven-year time series of fish community structure to examine how coastal protection structures impact community stability. Our analyses revealed that the most stable fish communities were nearest natural shorelines. Structurally complex engineered shorelines appeared to promote greater stability than simpler alternatives as communities nearest vertical walls, which are among the most prevalent structures, were most dissimilar from natural shorelines and had the lowest stability. We conclude that conserving and restoring natural habitats is essential for promoting ecological stability. However, in scenarios when natural habitats are not viable, engineered landscapes designed to mimic the complexity of natural habitats may provide similar ecological functions.

Natural Shorelines Promote the Stability of Fish Communities in an Urbanized Coastal System

PubMed Central

Scyphers, Steven B.; Gouhier, Tarik C.; Grabowski, Jonathan H.; Beck, Michael W.; Mareska, John; Powers, Sean P.

2015-01-01

Habitat loss and fragmentation are leading causes of species extinctions in terrestrial, aquatic and marine systems. Along coastlines, natural habitats support high biodiversity and valuable ecosystem services but are often replaced with engineered structures for coastal protection or erosion control. We coupled high-resolution shoreline condition data with an eleven-year time series of fish community structure to examine how coastal protection structures impact community stability. Our analyses revealed that the most stable fish communities were nearest natural shorelines. Structurally complex engineered shorelines appeared to promote greater stability than simpler alternatives as communities nearest vertical walls, which are among the most prevalent structures, were most dissimilar from natural shorelines and had the lowest stability. We conclude that conserving and restoring natural habitats is essential for promoting ecological stability. However, in scenarios when natural habitats are not viable, engineered landscapes designed to mimic the complexity of natural habitats may provide similar ecological functions. PMID:26039407

Influence of Forest-Canopy Morphology and Relief on Spectral Characteristics of Taiga Forests

NASA Astrophysics Data System (ADS)

Zhirin, V. M.; Knyazeva, S. V.; Eydlina, S. P.

2017-12-01

The article deals with the results of a statistical analysis reflecting tendencies (trends) of the relationship between spectral characteristics of taiga forests, indicators of the morphological structure of forest canopy and illumination of the territory. The study was carried out on the example of the model forest territory of the Priangarskiy taiga region of Eastern Siberia (Krasnoyarsk krai) using historical data (forest inventory 1992, Landsat 5 TM 16.06.1989) and the digital elevation model. This article describes a method for determining the quantitative indicator of morphological structure of forest canopy based on taxation data, and the authors propose to subdivide the morphological structure into high complexity, medium complexity, and relatively simple. As a result of the research, dependences of average values of spectral brightness in near and short-wave infrared channels of a Landsat 5 TM image for dark-coniferous, light-coniferous and deciduous forests from the degree of complexity of the forest-canopy structure are received. A high level of variance and maximum brightness average values are marked in green moss (hilocominosa) dark-coniferous and various-grass (larioherbosa) dark-coniferous forests and light-coniferous forests with a complex structure of canopy. The parvifoliate forests are characterized by high values of brightness in stands with a relatively simple structure of the canopy and by a small variance in brightness of any degree of the structure of the canopy complexity. The increase in brightness for the lit slopes in comparison with shaded ones in all stands with a difficult morphological canopy structure is revealed. However, the brightness values of the lit and shaded slopes do not differ for stands with a medium complexity of the structure. It is noted that, in addition to the indicator of the forest-canopy structure, the possible impact on increasing the variance of spectral brightness for the taxation plot has a variability of the slope ratio of "microslopes" inside the forest plot if it exceeds 60%.

Environmental risk assessment for plant pests: a procedure to evaluate their impacts on ecosystem services.

PubMed

Gilioli, G; Schrader, G; Baker, R H A; Ceglarska, E; Kertész, V K; Lövei, G; Navajas, M; Rossi, V; Tramontini, S; van Lenteren, J C

2014-01-15

The current methods to assess the environmental impacts of plant pests differ in their approaches and there is a lack of the standardized procedures necessary to provide accurate and consistent results, demonstrating the complexity of developing a commonly accepted scheme for this purpose. By including both the structural and functional components of the environment threatened by invasive alien species (IAS), in particular plant pests, we propose an environmental risk assessment scheme that addresses this complexity. Structural components are investigated by evaluating the impacts of the plant pest on genetic, species and landscape diversity. Functional components are evaluated by estimating how plant pests modify ecosystem services in order to determine the extent to which an IAS changes the functional traits that influence ecosystem services. A scenario study at a defined spatial and temporal resolution is then used to explore how an IAS, as an exogenous driving force, may trigger modifications in the target environment. The method presented here provides a standardized approach to generate comparable and reproducible results for environmental risk assessment as a component of Pest Risk Analysis. The method enables the assessment of overall environmental risk which integrates the impacts on different components of the environment and their probabilities of occurrence. The application of the proposed scheme is illustrated by evaluating the environmental impacts of the invasive citrus long-horn beetle, Anoplophora chinensis. © 2013.

If walls could talk

NASA Technical Reports Server (NTRS)

Braam, J.; McIntire, L. V. (Principal Investigator)

1999-01-01

The plant cell wall is very complex, both in structure and function. The wall components and the mechanical properties of the wall have been implicated in conveying information that is important for morphogenesis. Proteoglycans, fragments of polysaccharides and the structural integrity of the wall may relay signals that influence cellular differentiation and growth control. Furthering our knowledge of cell wall structure and function is likely to have a profound impact on our understanding of how plant cells communicate with the extracellular environment.

Crew Launch Vehicle Mobile Launcher Solid Rocket Motor Plume Induced Environment

NASA Technical Reports Server (NTRS)

Vu, Bruce T.; Sulyma, Peter

2008-01-01

The plume-induced environment created by the Ares 1 first stage, five-segment reusable solid rocket motor (RSRMV) will impose high heating rates and impact pressures on Launch Complex 39. The extremes of these environments pose a potential threat to weaken or even cause structural components to fail if insufficiently designed. Therefore the ability to accurately predict these environments is critical to assist in specifying structural design requirements to insure overall structural integrity and flight safety. This paper presents the predicted thermal and pressure environments induced by the launch of the Crew Launch Vehicle (CLV) from Launch Complex (LC) 39. Once the environments are predicted, a follow-on thermal analysis is required to determine the surface temperature response and the degradation rate of the materials. An example of structures responding to the plume-induced environment will be provided.

Modeling of fracture of protective concrete structures under impact loads

NASA Astrophysics Data System (ADS)

Radchenko, P. A.; Batuev, S. P.; Radchenko, A. V.; Plevkov, V. S.

2015-10-01

This paper presents results of numerical simulation of interaction between a Boeing 747-400 aircraft and the protective shell of a nuclear power plant. The shell is presented as a complex multilayered cellular structure consisting of layers of concrete and fiber concrete bonded with steel trusses. Numerical simulation was performed three-dimensionally using the original algorithm and software taking into account algorithms for building grids of complex geometric objects and parallel computations. Dynamics of the stress-strain state and fracture of the structure were studied. Destruction is described using a two-stage model that allows taking into account anisotropy of elastic and strength properties of concrete and fiber concrete. It is shown that wave processes initiate destruction of the cellular shell structure; cells start to destruct in an unloading wave originating after the compression wave arrival at free cell surfaces.

Modeling the effects of fire severity and spatial complexity on Small Mammals in Yosemite National Park, California

USGS Publications Warehouse

Roberts, Susan L.; Van Wagtendonk, Jan W.; Miles, A. Keith; Kelt, Douglas A.; Lutz, James A.

2008-01-01

We evaluated the impact of fire severity and related spatial and vegetative parameters on small mammal populations in 2 yr- to 15 yr-old burns in Yosemite National Park, California, USA. We also developed habitat models that would predict small mammal responses to fires of differing severity. We hypothesized that fire severity would influence the abundances of small mammals through changes in vegetation composition, structure, and spatial habitat complexity. Deer mouse (Peromyscus maniculatus) abundance responded negatively to fire severity, and brush mouse (P. boylii) abundance increased with increasing oak tree (Quercus spp.) cover. Chipmunk (Neotamias spp.) abundance was best predicted through a combination of a negative response to oak tree cover and a positive response to spatial habitat complexity. California ground squirrel (Spermophilus beecheyi) abundance increased with increasing spatial habitat complexity. Our results suggest that fire severity, with subsequent changes in vegetation structure and habitat spatial complexity, can influence small mammal abundance patterns.

Temperature-dependent vibrational spectroscopy to study order-disorder transitions in charge transfer complexes

NASA Astrophysics Data System (ADS)

Isaac, Rohan; Goetz, Katelyn P.; Roberts, Drew; Jurchescu, Oana D.; McNeil, L. E.

2018-02-01

Charge-transfer (CT) complexes are a promising class of materials for the semiconductor industry because of their versatile properties. This class of compounds shows a variety of phase transitions, which are of interest because of their potential impact on the electronic characteristics. Here temperature-dependent vibrational spectroscopy is used to study structural phase transitions in a set of organic CT complexes. Splitting and broadening of infrared-active phonons in the complex formed between pyrene and pyromellitic dianhydride (PMDA) confirm the structural transition is of the order-disorder type and complement previous x-ray diffraction (XRD) results. We show that this technique is a powerful tool to characterize transitions, and apply it to a range of binary CT complexes composed of polyaromatic hyrdocarbons (anthracene, perylene, phenanthrene, pyrene, and stilbene) and PMDA. We extend the understanding of transitions in perylene-PMDA and pyrene-PMDA, and show that there are no order-disorder transitions present in anthracene-PMDA, stilbene-PMDA and phenanthrene-PMDA in the temperature range investigated here.

Culture, Structure and Leadership Impacts on Gender Inclusion in the Security Sector

DTIC Science & Technology

2017-09-01

culture were outcomes of structural reform. A guided evolution in security sector culture occurred following persistent social pressure, compliance...brought about a change in national and organizational culture to address socially complex issues. As the orchestrators of large successful corporate...challenges them (Jolly 2002). In the process, we are influenced and shaped as we interact with local, national and international information. Likewise, we

Transient analysis techniques in performing impact and crash dynamic studies

NASA Technical Reports Server (NTRS)

Pifko, A. B.; Winter, R.

1989-01-01

Because of the emphasis being placed on crashworthiness as a design requirement, increasing demands are being made by various organizations to analyze a wide range of complex structures that must perform safely when subjected to severe impact loads, such as those generated in a crash event. The ultimate goal of crashworthiness design and analysis is to produce vehicles with the ability to reduce the dynamic forces experienced by the occupants to specified levels, while maintaining a survivable envelope around them during a specified crash event. DYCAST is a nonlinear structural dynamic finite element computer code that started from the plans systems of a finite element program for static nonlinear structural analysis. The essential features of DYCAST are outlined.

Impacts of large dams on the complexity of suspended sediment dynamics in the Yangtze River

NASA Astrophysics Data System (ADS)

Wang, Yuankun; Rhoads, Bruce L.; Wang, Dong; Wu, Jichun; Zhang, Xiao

2018-03-01

The Yangtze River is one of the largest and most important rivers in the world. Over the past several decades, the natural sediment regime of the Yangtze River has been altered by the construction of dams. This paper uses multi-scale entropy analysis to ascertain the impacts of large dams on the complexity of high-frequency suspended sediment dynamics in the Yangtze River system, especially after impoundment of the Three Gorges Dam (TGD). In this study, the complexity of sediment dynamics is quantified by framing it within the context of entropy analysis of time series. Data on daily sediment loads for four stations located in the mainstem are analyzed for the past 60 years. The results indicate that dam construction has reduced the complexity of short-term (1-30 days) variation in sediment dynamics near the structures, but that complexity has actually increased farther downstream. This spatial pattern seems to reflect a filtering effect of the dams on the on the temporal pattern of sediment loads as well as decreased longitudinal connectivity of sediment transfer through the river system, resulting in downstream enhancement of the influence of local sediment inputs by tributaries on sediment dynamics. The TGD has had a substantial impact on the complexity of sediment series in the mainstem of the Yangtze River, especially after it became fully operational. This enhanced impact is attributed to the high trapping efficiency of this dam and its associated large reservoir. The sediment dynamics "signal" becomes more spatially variable after dam construction. This study demonstrates the spatial influence of dams on the high-frequency temporal complexity of sediment regimes and provides valuable information that can be used to guide environmental conservation of the Yangtze River.

A new approach to fluid-structure interaction within graphics hardware accelerated smooth particle hydrodynamics considering heterogeneous particle size distribution

NASA Astrophysics Data System (ADS)

Eghtesad, Adnan; Knezevic, Marko

2018-07-01

A corrective smooth particle method (CSPM) within smooth particle hydrodynamics (SPH) is used to study the deformation of an aircraft structure under high-velocity water-ditching impact load. The CSPM-SPH method features a new approach for the prediction of two-way fluid-structure interaction coupling. Results indicate that the implementation is well suited for modeling the deformation of structures under high-velocity impact into water as evident from the predicted stress and strain localizations in the aircraft structure as well as the integrity of the impacted interfaces, which show no artificial particle penetrations. To reduce the simulation time, a heterogeneous particle size distribution over a complex three-dimensional geometry is used. The variable particle size is achieved from a finite element mesh with variable element size and, as a result, variable nodal (i.e., SPH particle) spacing. To further accelerate the simulations, the SPH code is ported to a graphics processing unit using the OpenACC standard. The implementation and simulation results are described and discussed in this paper.

A new approach to fluid-structure interaction within graphics hardware accelerated smooth particle hydrodynamics considering heterogeneous particle size distribution

NASA Astrophysics Data System (ADS)

Eghtesad, Adnan; Knezevic, Marko

2017-12-01

A corrective smooth particle method (CSPM) within smooth particle hydrodynamics (SPH) is used to study the deformation of an aircraft structure under high-velocity water-ditching impact load. The CSPM-SPH method features a new approach for the prediction of two-way fluid-structure interaction coupling. Results indicate that the implementation is well suited for modeling the deformation of structures under high-velocity impact into water as evident from the predicted stress and strain localizations in the aircraft structure as well as the integrity of the impacted interfaces, which show no artificial particle penetrations. To reduce the simulation time, a heterogeneous particle size distribution over a complex three-dimensional geometry is used. The variable particle size is achieved from a finite element mesh with variable element size and, as a result, variable nodal (i.e., SPH particle) spacing. To further accelerate the simulations, the SPH code is ported to a graphics processing unit using the OpenACC standard. The implementation and simulation results are described and discussed in this paper.

Specific Fluorine Labeling of the HyHEL10 Antibody Affects Antigen Binding and Dynamics

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

Acchione, Mauro; Lee, Yi-Chien; DeSantis, Morgan E.

To more fully understand the molecular mechanisms responsible for variations in binding affinity with antibody maturation, we explored the use of site specific fluorine labeling and {sup 19}F nuclear magnetic resonance (NMR). Several single-chain (scFv) antibodies, derived from an affinity-matured series of anti-hen egg white lysozyme (HEL) mouse IgG1, were constructed with either complete or individual replacement of tryptophan residues with 5-fluorotryptophan ({sup 5F}W). An array of biophysical techniques was used to gain insight into the impact of fluorine substitution on the overall protein structure and antigen binding. SPR measurements indicated that {sup 5F}W incorporation lowered binding affinity for themore » HEL antigen. The degree of analogue impact was residue-dependent, and the greatest decrease in affinity was observed when {sup 5F}W was substituted for residues near the binding interface. In contrast, corresponding crystal structures in complex with HEL were essentially indistinguishable from the unsubstituted antibody. {sup 19}F NMR analysis showed severe overlap of signals in the free fluorinated protein that was resolved upon binding to antigen, suggesting very distinct chemical environments for each {sup 5F}W in the complex. Preliminary relaxation analysis suggested the presence of chemical exchange in the antibody-antigen complex that could not be observed by X-ray crystallography. These data demonstrate that fluorine NMR can be an extremely useful tool for discerning structural changes in scFv antibody-antigen complexes with altered function that may not be discernible by other biophysical techniques.« less

Computational composite mechanics for aerospace propulsion structures

NASA Technical Reports Server (NTRS)

Chamis, C. C.

1986-01-01

Specialty methods are presented for the computational simulation of specific composite behavior. These methods encompass all aspects of composite mechanics, impact, progressive fracture and component specific simulation. Some of these methods are structured to computationally simulate, in parallel, the composite behavior and history from the initial fabrication through several missions and even to fracture. Select methods and typical results obtained from such simulations are described in detail in order to demonstrate the effectiveness of computationally simulating (1) complex composite structural behavior in general and (2) specific aerospace propulsion structural components in particular.

Computational composite mechanics for aerospace propulsion structures

NASA Technical Reports Server (NTRS)

Chamis, Christos C.

1987-01-01

Specialty methods are presented for the computational simulation of specific composite behavior. These methods encompass all aspects of composite mechanics, impact, progressive fracture and component specific simulation. Some of these methods are structured to computationally simulate, in parallel, the composite behavior and history from the initial frabrication through several missions and even to fracture. Select methods and typical results obtained from such simulations are described in detail in order to demonstrate the effectiveness of computationally simulating: (1) complex composite structural behavior in general, and (2) specific aerospace propulsion structural components in particular.

Fatigue in aerostructures--where structural health monitoring can contribute to a complex subject.

PubMed

Boller, Christian; Buderath, Matthias

2007-02-15

An overview of the aircraft design and maintenance process is given with specific emphasis on the fatigue design as well as the phenomenon of the ageing aircraft observed over the life cycle. The different measures taken to guarantee structural integrity along the maintenance process are addressed. The impact of structural health monitoring as a means of possibly revolutionizing the current aircraft structural monitoring and design process is emphasized and comparison is made to jet engines and helicopters, where health monitoring has already found the respective breakthrough.

"It's Just Not Very Realistic": Perceptions of Media Among Pregnant and Postpartum Women.

PubMed

Liechty, Toni; Coyne, Sarah M; Collier, Kevin M; Sharp, Aubrey D

2018-07-01

Although research has documented a connection between media and body image for women, little research has explored this connection among pregnant or postpartum women. The purpose of this study was to explore women's perceptions of media and body image during the perinatal period. Fredrickson's objectification theory provided a theoretical framework for the study. Data collection involved semi-structured in-depth interviews with 50 pregnant or postpartum women in which they were asked to describe their perceptions of media depictions of pregnant or postpartum women and its impact on their body image. Interviews were audio-recorded, transcribed verbatim, and analyzed thematically. Four major themes emerged: (1) participants questioned the realism of media depictions of pregnant and postpartum women, (2) participants described complex reactions to media messages including negative impacts on body image and strategies for mitigating negative impacts, (3) participants desired changes in media messages to be more realistic and to depict a more complex portrayal of the life stage, and (4) participants discussed the unique and complex role of social media including both negative and positive impacts. Implications of the findings for pregnant and postpartum women, communication scholars, and healthcare professionals are discussed.

A magmatic origin for lunar mascons? New insights from GRAIL gravity and numerical modeling

NASA Astrophysics Data System (ADS)

McGovern, P. J.; Zuber, M. T.; Kramer, G. Y.; Powell, K.; Kiefer, W. S.

2012-12-01

The origin of the enormous "mascon" gravity anomalies associated with large impact basins on the Moon is still a matter of debate. Here, we apply new insights from extremely high-resolution datasets -- GRAIL mission gravity and Lunar Orbiter Laser Altimeter (LOLA) topography -- to address this question, focusing on the volcanic evolution of the basin settings of mascons. Apollo-era data led to the hypothesis that surface maria deposits accounted for the mascon anomalies in the form of a plug-like body, occupying the central portions of basins like Serenitatis and Imbrium. Analysis of Clementine mission topography and gravity data indicated that substantial anomalies remained after the mare signal at many basins was taken into account. When mapped to the crust-mantle interface these anomalies suggested frozen-in super-isostatic uplift of that interface. However, recent modeling of lithospheric response to super-isostatic loading with a realistic post-impact thermal profile indicates that such uplift should disappear on timescales much shorter than the age of the basins, necessitating a search for a formation mechanism that will allow a mascon anomaly to be sustained to the present day. Given the substantial mare contributions to mascons, such a mechanism should also be consistent with apparent delays between basin-forming impacts and the onset of mare volcanism, as well as the (potentially extended) duration of the latter. One such scenario invokes the intrusive component of the magmatic system that delivered the mare basalts to the surface. The intrusive/extrusive volume ratio ranges from 5-10 in terrestrial settings, suggesting a substantial role for intrusions beneath mare-filled basins (and possibly for sparsely-filled ones as well). Given the complex geometry and margin structure of intrusive complexes observed on Earth, one might expect a hypothesized sill complex beneath lunar basins, emplaced over a potentially broad timescale and subject to local and regional stress and structural inhomogeneities, to have a complex margin structure. GRAIL gravity data reveal evidence for such structures in the form of lobate protrusions from central mascon gravity anomalies seen at north and northeast Serenitatis and south-southwest and east-northeast Imbrium. Further, the close correspondence between the decidedly non-circular southeast boundary of the Imbrium mascon and the thrust faults cutting the surface of Mare Imbrium suggests a connection between the mascon and the much younger surface flows that significantly postdates the impact process itself, consistent with a fault system conforming to the geometry of a subsurface intrusive load. Alternatively, those faults nucleated over an originally irregular impact-produced mascon boundary. Mascon loading creates stress states favorable to magmatic ascent in annular zones surrounding basins. For example, volcanic complexes at the margins of Imbrium and Serenitatis may have been facilitated by this stress state. Further, olivines detected in clearly magmatic settings (both extrusive and intrusive) at the margin of Crisium argue for stress-enhanced volcanic transport of olivine-bearing rocks (cumulates or mantle xenoliths) to the near surface.

Nanodosimetric track structure in homogeneous extended beams.

PubMed

Conte, V; Moro, D; Colautti, P; Grosswendt, B

2015-09-01

Physical aspects of particle track structure are important in determining the induction of clustered damage in relevant subcellular structures like the DNA and higher-order genomic structures. The direct measurement of track-structure properties of ionising radiation is feasible today by counting the number of ionisations produced inside a small gas volume. In particular, the so-called track-nanodosimeter, installed at the TANDEM-ALPI accelerator complex of LNL, measures ionisation cluster-size distributions in a simulated subcellular structure of dimensions 20 nm, corresponding approximately to the diameter of the chromatin fibre. The target volume is irradiated by pencil beams of primary particles passing at specified impact parameter. To directly relate these measured track-structure data to radiobiological measurements performed in broad homogeneous particle beams, these data can be integrated over the impact parameter. This procedure was successfully applied to 240 MeV carbon ions and compared with Monte Carlo simulations for extended fields. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Structure of the Apo Form of Bacillus stearothermophilus Phosphofructokinase

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

Mosser, Rockann; Reddy, Manchi C.M.; Bruning, John B.

2012-02-08

The crystal structure of the unliganded form of Bacillus stearothermophilus phosphofructokinase (BsPFK) was determined using molecular replacement to 2.8 {angstrom} resolution (Protein Data Bank entry 3U39). The apo BsPFK structure serves as the basis for the interpretation of any structural changes seen in the binary or ternary complexes. When the apo BsPFK structure is compared with the previously published liganded structures of BsPFK, the structural impact that the binding of the ligands produces is revealed. This comparison shows that the apo form of BsPFK resembles the substrate-bound form of BsPFK, a finding that differs from previous predictions.

A controlled experiment on the impact of software structure on maintainability

NASA Technical Reports Server (NTRS)

Rombach, Dieter H.

1987-01-01

The impact of software structure on maintainability aspects including comprehensibility, locality, modifiability, and reusability in a distributed system environment is studied in a controlled maintenance experiment involving six medium-size distributed software systems implemented in LADY (language for distributed systems) and six in an extended version of sequential PASCAL. For all maintenance aspects except reusability, the results were quantitatively given in terms of complexity metrics which could be automated. The results showed LADY to be better suited to the development of maintainable software than the extension of sequential PASCAL. The strong typing combined with high parametrization of units is suggested to improve the reusability of units in LADY.

Structural and Functional Impacts of ER Coactivator Sequential Recruitment.

PubMed

Yi, Ping; Wang, Zhao; Feng, Qin; Chou, Chao-Kai; Pintilie, Grigore D; Shen, Hong; Foulds, Charles E; Fan, Guizhen; Serysheva, Irina; Ludtke, Steven J; Schmid, Michael F; Hung, Mien-Chie; Chiu, Wah; O'Malley, Bert W

2017-09-07

Nuclear receptors recruit multiple coactivators sequentially to activate transcription. This "ordered" recruitment allows different coactivator activities to engage the nuclear receptor complex at different steps of transcription. Estrogen receptor (ER) recruits steroid receptor coactivator-3 (SRC-3) primary coactivator and secondary coactivators, p300/CBP and CARM1. CARM1 recruitment lags behind the binding of SRC-3 and p300 to ER. Combining cryo-electron microscopy (cryo-EM) structure analysis and biochemical approaches, we demonstrate that there is a close crosstalk between early- and late-recruited coactivators. The sequential recruitment of CARM1 not only adds a protein arginine methyltransferase activity to the ER-coactivator complex, it also alters the structural organization of the pre-existing ERE/ERα/SRC-3/p300 complex. It induces a p300 conformational change and significantly increases p300 HAT activity on histone H3K18 residues, which, in turn, promotes CARM1 methylation activity on H3R17 residues to enhance transcriptional activity. This study reveals a structural role for a coactivator sequential recruitment and biochemical process in ER-mediated transcription. Copyright © 2017 Elsevier Inc. All rights reserved.

Study of base pair mutations in proline-rich homeodomain (PRH)-DNA complexes using molecular dynamics.

PubMed

Jalili, Seifollah; Karami, Leila; Schofield, Jeremy

2013-06-01

Proline-rich homeodomain (PRH) is a regulatory protein controlling transcription and gene expression processes by binding to the specific sequence of DNA, especially to the sequence 5'-TAATNN-3'. The impact of base pair mutations on the binding between the PRH protein and DNA is investigated using molecular dynamics and free energy simulations to identify DNA sequences that form stable complexes with PRH. Three 20-ns molecular dynamics simulations (PRH-TAATTG, PRH-TAATTA and PRH-TAATGG complexes) in explicit solvent water were performed to investigate three complexes structurally. Structural analysis shows that the native TAATTG sequence forms a complex that is more stable than complexes with base pair mutations. It is also observed that upon mutation, the number and occupancy of the direct and water-mediated hydrogen bonds decrease. Free energy calculations performed with the thermodynamic integration method predict relative binding free energies of 0.64 and 2 kcal/mol for GC to AT and TA to GC mutations, respectively, suggesting that among the three DNA sequences, the PRH-TAATTG complex is more stable than the two mutated complexes. In addition, it is demonstrated that the stability of the PRH-TAATTA complex is greater than that of the PRH-TAATGG complex.

Geoinformation modeling system for analysis of atmosphere pollution impact on vegetable biosystems using space images

NASA Astrophysics Data System (ADS)

Polichtchouk, Yuri; Ryukhko, Viatcheslav; Tokareva, Olga; Alexeeva, Mary

2002-02-01

Geoinformation modeling system structure for assessment of the environmental impact of atmospheric pollution on forest- swamp ecosystems of West Siberia is considered. Complex approach to the assessment of man-caused impact based on the combination of sanitary-hygienic and landscape-geochemical approaches is reported. Methodical problems of analysis of atmosphere pollution impact on vegetable biosystems using geoinformation systems and remote sensing data are developed. Landscape structure of oil production territories in southern part of West Siberia are determined on base of processing of space images from spaceborn Resource-O. Particularities of atmosphere pollution zones modeling caused by gas burning in torches in territories of oil fields are considered. For instance, a pollution zones were revealed modeling of contaminants dispersal in atmosphere by standard model. Polluted landscapes areas are calculated depending on oil production volume. It is shown calculated data is well approximated by polynomial models.

ENVIRONMENTAL QUALITY AND LANDSCAPE-RISK ASSESSMENT IN THE YANTRA RIVER BASIN

EPA Science Inventory

Landscape characteristics exert their impact on the processes occurring in river basins in many directions and may influence in a different way the environmental security and some related constraints like extreme natural events. The complex nature of landscape structure and dynam...

Nanoscale Charge Balancing Mechanism in Calcium-Silicate-Hydrate Gels: Novel Complex Disordered Materials from First-principles

NASA Astrophysics Data System (ADS)

Ozcelik, Ongun; White, Claire

Alkali-activated materials which have augmented chemical compositions as compared to ordinary Portland cement are sustainable technologies that have the potential to lower CO2 emissions associated with the construction industry. In particular, calcium-silicate-hydrate (C-S-H) gel is altered at the atomic scale due to changes in its chemical composition. Here, based on first-principles calculations, we predict a charge balancing mechanism at the molecular level in C-S-H gels when alkali atoms are introduced into their structure. This charge balancing process is responsible for the formation of novel structures which possess superior mechanical properties compared to their charge unbalanced counterparts. Different structural representations are obtained depending on the level of substitution and the degree of charge balancing incorporated in the structures. The impact of these charge balancing effects on the structures is assessed by analyzing their formation energies, local bonding environments, diffusion barriers and mechanical properties. These results provide information on the phase stability of alkali/aluminum containing C-S-H gels, shedding light on the fundamental mechanisms that play a crucial role in these complex disordered materials. We acknowledge funding from the Princeton Center for Complex Materials, a MRSEC supported by NSF.

Impact Detection for Characterization of Complex Multiphase Flows

NASA Astrophysics Data System (ADS)

Chan, Wai Hong Ronald; Urzay, Javier; Mani, Ali; Moin, Parviz

2016-11-01

Multiphase flows often involve a wide range of impact events, such as liquid droplets impinging on a liquid pool or gas bubbles coalescing in a liquid medium. These events contribute to a myriad of large-scale phenomena, including breaking waves on ocean surfaces. As impacts between surfaces necessarily occur at isolated points, numerical simulations of impact events will require the resolution of molecular scales near the impact points for accurate modeling. This can be prohibitively expensive unless subgrid impact and breakup models are formulated to capture the effects of the interactions. The first step in a large-eddy simulation (LES) based computational methodology for complex multiphase flows like air-sea interactions requires effective detection of these impact events. The starting point of this work is a collision detection algorithm for structured grids on a coupled level set / volume of fluid (CLSVOF) solver adapted from an earlier algorithm for cloth animations that triangulates the interface with the marching cubes method. We explore the extension of collision detection to a geometric VOF solver and to unstructured grids. Supported by ONR/A*STAR. Agency of Science, Technology and Research, Singapore; Office of Naval Research, USA.

Pectin-modifying enzymes and pectin-derived materials: applications and impacts.

PubMed

Bonnin, Estelle; Garnier, Catherine; Ralet, Marie-Christine

2014-01-01

Pectins are complex branched polysaccharides present in primary cell walls. As a distinctive feature, they contain high amount of partly methyl-esterified galacturonic acid and low amount of rhamnose and carry arabinose and galactose as major neutral sugars. Due to their structural complexity, they are modifiable by many different enzymes, including hydrolases, lyases, and esterases. Their peculiar structure is the origin of their physicochemical properties. Among others, their remarkable gelling properties make them a key additive for food industries. Pectin-degrading enzymes and -modifying enzymes may be used in a wide variety of applications to modulate pectin properties or produce pectin derivatives and oligosaccharides with functional as well as nutritional interests. This paper reviews the scientific information available on pectin structure, pectin-modifying enzymes, and the use of enzymes to produce pectin with controlled structure or pectin-derived oligosaccharides, with functional or nutritional interesting properties.

Modeling of fracture of protective concrete structures under impact loads

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

Radchenko, P. A., E-mail: radchenko@live.ru; Batuev, S. P.; Radchenko, A. V.

This paper presents results of numerical simulation of interaction between a Boeing 747-400 aircraft and the protective shell of a nuclear power plant. The shell is presented as a complex multilayered cellular structure consisting of layers of concrete and fiber concrete bonded with steel trusses. Numerical simulation was performed three-dimensionally using the original algorithm and software taking into account algorithms for building grids of complex geometric objects and parallel computations. Dynamics of the stress-strain state and fracture of the structure were studied. Destruction is described using a two-stage model that allows taking into account anisotropy of elastic and strength propertiesmore » of concrete and fiber concrete. It is shown that wave processes initiate destruction of the cellular shell structure; cells start to destruct in an unloading wave originating after the compression wave arrival at free cell surfaces.« less

CDS Re Mix

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

None

CDS (Change Detection Systems) is a mechanism for rapid visual analysis using complex image alignment algorithms. CDS is controlled with a simple interface that has been designed for use for anyone that can operate a digital camera. A challenge of complex industrial systems like nuclear power plants is to accurately identify changes in systems, structures and components that may critically impact the operation of the facility. CDS can provide a means of early intervention before the issues evolve into safety and production challenges.

Visual analytics in medical education: impacting analytical reasoning and decision making for quality improvement.

PubMed

Vaitsis, Christos; Nilsson, Gunnar; Zary, Nabil

2015-01-01

The medical curriculum is the main tool representing the entire undergraduate medical education. Due to its complexity and multilayered structure it is of limited use to teachers in medical education for quality improvement purposes. In this study we evaluated three visualizations of curriculum data from a pilot course, using teachers from an undergraduate medical program and applying visual analytics methods. We found that visual analytics can be used to positively impacting analytical reasoning and decision making in medical education through the realization of variables capable to enhance human perception and cognition on complex curriculum data. The positive results derived from our evaluation of a medical curriculum and in a small scale, signify the need to expand this method to an entire medical curriculum. As our approach sustains low levels of complexity it opens a new promising direction in medical education informatics research.

Experimental Investigation of the Formation of Complex Craters

NASA Astrophysics Data System (ADS)

Martellato, E.; Dörfler, M. A.; Schuster, B.; Wünnemman, K.; Kenkmann, T.

2017-09-01

The formation of complex impact craters is still poorly understood, because standard material models fail to explain the gravity-driven collapse at the observed size-range of a bowl-shaped transient crater into a flat-floored crater structure with a central peak or ring and terraced rim. To explain such a collapse the so-called Acoustic Fluidization (AF) model has been proposed. The AF assumes that heavily fractured target rocks surrounding the transient crater are temporarily softened by an acoustic field in the wake of an expanding shock wave generated upon impact. The AF has been successfully employed in numerous modeling studies of complex crater formation; however, there is no clear relationship between model parameters and observables. In this study, we present preliminary results of laboratory experiments aiming at relating the AF parameters to observables such as the grain size, average wave length of the acoustic field and its decay time τ relative to the crater formation time.

THE ROLE OF AN IMMIGRANT MOTHER IN HER ADOLESCENT'S IDENTITY FORMATION: "WHO AM I?".

PubMed

Mann, Mali

2016-06-01

Immigration is a complex bio-psycho-social process and the immigrant mother has a truly complex task in lending her ego strength to her adolescent offspring. The normal adolescence's decathexis of the love object and the consequent search for a new object may not happen smoothly for those adolescents whose mothers are immigrants. The immigration experience may cause the immigrant mother, who lost her motherland, deeper disturbance in self-identity as well as disequilibrium in her psychic structure, which in turn impacts adversely her adolescent's development. The adolescent's inadequate early experience with an immigrant mother may result in a deeper disturbance in his separation-individuation process as well as his identification process. An immigrant mother who has not mourned adequately, with a different sociocultural background has to go through a far more complex development of motherhood. The case of an adolescent boy, Jason, demonstrates the impact of immigrant motherhood on his ego development.

Kinetics of thermolysis of lanthanum nitrate with hexamethylenetetramine: Crystal structure, TG-DSC, impact and friction sensitivity studies, Part-96

NASA Astrophysics Data System (ADS)

Nibha; Baranwal, B. P.; Singh, Gurdip; Singh, C. P.; Daniliuc, Constantin G.; Soni, P. K.; Nath, Yogeshwar

2014-11-01

The development of high energetic materials includes process ability and the ability to attain insensitive munitions (IM). This paper investigates the preparation of lanthanum metal nitrate complex of hexamethylenetetramine in water at room temperature. This complex of molecular formulae [La (NO3)2(H2O)6] (2HMTA) (NO3-) (H2O) was characterized by X-ray crystallography. Thermal decomposition was investigated using TG, TG-DSC and ignition delay measurements. Kinetic analysis of isothermal TG data has been investigated using model fitting methods as well as model free isoconversional methods. The sensitivity measurements towards mechanical destructive stimuli such as impact and friction were carried out and the complex was found to be insensitive. In order to identify the end product of thermolysis, X-ray diffraction patterns of end product was carried out which proves the formation of La2O3.

Shatter cones at the Keurusselkä impact structure and their relation to local jointing

NASA Astrophysics Data System (ADS)

Hasch, Maximilian; Reimold, Wolf Uwe; Raschke, Ulli; Zaag, Patrice Tristan

2016-08-01

Shatter cones are the only distinct meso- to macroscopic recognition criterion for impact structures, yet not all is known about their formation. The Keurusselkä impact structure, Finland, is interesting in that it presents a multitude of well-exposed shatter cones in medium- to coarse-grained granitoids. The allegedly 27 km wide Keurusselkä impact structure was formed about 1150 Ma ago in rocks of the Central Finland Granitoid Complex. Special attention was paid in this work to possible relationships between shatter cones and local, as well as regionally occurring, fracture or joint systems. A possible shatter cone find outside the previously suggested edge of the structure could mean that the Keurusselkä impact structure is larger than previously thought. The spacing between joints/fractures from regional joint systems was influenced by the impact, but impact-induced fractures strongly follow the regional joint orientation trends. There is a distinct relationship between shatter cones and joints: shatter cones occur on and against joint surfaces of varied orientations and belonging to the regional orientation trends. Planar fractures (PF) and planar deformation features (PDF) were found in three shatter cone samples from the central-most part of the impact structure, whereas other country rock samples from the same level of exposure but further from the assumed center lack shock deformation features. PDF occurrence is enhanced within 5 mm of shatter cone surfaces, which is interpreted to suggest that shock wave reverberation at preimpact joints could be responsible for this local enhancement of shock deformation. Some shatter cone surfaces are coated with a quasi-opaque material which is also found in conspicuous veinlets that branch off from shatter cone surfaces and resemble pseudotachylitic breccia veins. The vein-filling is composed of two mineral phases, one of which could be identified as a montmorillonitic phyllosilicate. The second phase could not be identified yet. The original composition of the fill could not be determined. Further work is required on this material. Observed joints and fractures were discussed against findings from Barringer impact crater. They show that impact-induced joints in the basement rock do not follow impact-specific orientations (such as radial, conical, or concentric).

Electrospray ionization mass spectrometry of mixtures of triterpene glycosides with L-phenylalanine

NASA Astrophysics Data System (ADS)

Lekar, A. V.; Vetrova, E. V.; Borisenko, N. I.; Yakovishin, L. A.; Grishkovets, V. I.; Borisenko, S. N.

2011-09-01

Electrospray-ionization mass spectrometry (ESI-MS) was used to investigate for the first time the molecular complexation of L-phenylalanine with hederagenin 3-O- α- L-rhamnopyranosyl-(1 → 2)-O- α- L-arabinopyranoside ( α-hederin) and its 28-O- α- L-rhamnopyranosyl-(1 → 4)-O-β- D-glucopyranosyl-(1 → 6)-O-β- D-glucopyranosyl ester (hederasaponin C). The glycoside/ L-phenylalanine complexes with a 1:1 molar ratio turned out to be most stable. The structures of the glycosides and L-phenylalanine have been concluded to have an impact on the complexation process.

New heteroleptic Zn(II) complexes of thiosemicarbazone and diimine Co-Ligands: Structural analysis and their biological impacts

NASA Astrophysics Data System (ADS)

Mathan Kumar, Shanmugaiah; Kesavan, Mookkandi Palsamy; Vinoth Kumar, Gujuluva Gangatharan; Sankarganesh, Murugesan; Chakkaravarthi, Ganesan; Rajagopal, Gurusamy; Rajesh, Jegathalaprathaban

2018-02-01

A thiosemicarbazone ligand HL appended new Zn(II) complexes [Zn(L)(bpy)] (1) and [Zn(L)(phen)] (2) (where, HL = {2-(3-bromo-5-chloro-2-hydroxybenzylidene)-N-phenylhydrazinecarbothioamide}, bpy = 2, 2‧-bipyridine and phen = 1, 10-phenanthroline) have been synthesized and well characterized using conventional spectroscopic techniques viz.,1H NMR, FTIR and UV-Vis spectra. The crystal structures of complexes 1 and 2 have been determined by single crystal X-ray diffraction studies. Both the complex 1 (τ = 0.5) and 2 (τ = 0.37) possesses square based pyramidally distorted trigonal bipyramidal geometry. The ground state electronic structures of complexes 1 and 2 were investigated by DFT/B3LYP theoretical analysis using 6-311G (d,p) and LANL2DZ basis set level. The superior DNA binding ability of complex 2 has been evaluated using absorption and fluorescence spectral titration studies. Antimicrobial evaluation reveals that complex 2 endowed better screening than HL and complex 1 against both bacterial as well as fungal species. Consequently, complex 2 possesses highest antibacterial screening against Staphylococcus aureus (MIC = 3.0 ± 0.23 mM) and antifungal screening against Candida albicans (MIC = 6.0 ± 0.11 mM). Furthermore, the anticancer activity of the ligand HL, complexes 1 and 2 have been examined against the MCF-7 cell line (Human breast cancer cell line) using MTT assay. It is remarkable that complex 2 (12 ± 0.67 μM) show highest anticancer activity than HL (25.0 ± 0.91 μM) and complex 1 (15 ± 0.88 μM) due to the presence of phen ligand moiety.

Nondestructive inspection of aerospace composites by a fiber-coupled laser ultrasonics system

NASA Astrophysics Data System (ADS)

Vandenrijt, J.-F.; Languy, F.; Thizy, C.; Georges, M. P.

2017-06-01

Laser ultrasonics is a technique currently studied for nondestructive inspection of aerospace composite structures based on carbon fibers. It combines a pulsed laser impacting the surface generates an ultrasound inside the material, through the nondestructive thermoelastic effect. Second a detection interferometer probes the impacted point in order to measure the displacement of the surface resulting from the emitted ultrasound wave and the echo coming back from the different interfaces of the structure. Laser ultrasonics is of interest for inspecting complex shaped composites. We have studied the possibility of using frequency doubled YAG laser for the generation and which is fiber-coupled, together with a fibercoupled interferometric probe using a YAG laser in the NIR. Our final system is a lightweight probe attached to a robot arm and which is able to scan complex shapes. The performances of the system are compared for different wavelengths of generations. Also we have studied some experimental parameters of interest such as tolerance to angle and focus distance, and different geometries of generation beams. We show some examples of inspection of reference parts with known defects. In particular C-scans of curved composites structures are presented.

Effects of alternative outcome scenarios and structured outcome evaluation on case-based ethics instruction.

PubMed

Peacock, Juandre; Harkrider, Lauren N; Bagdasarov, Zhanna; Connelly, Shane; Johnson, James F; Thiel, Chase E; Macdougall, Alexandra E; Mumford, Michael D; Devenport, Lynn D

2013-09-01

Case-based instruction has been regarded by many as a viable alternative to traditional lecture-based education and training. However, little is known about how case-based training techniques impact training effectiveness. This study examined the effects of two such techniques: (a) presentation of alternative outcome scenarios to a case, and (b) conducting a structured outcome evaluation. Consistent with the hypotheses, results indicate that presentation of alternative outcome scenarios reduced knowledge acquisition, reduced sensemaking and ethical decision-making strategy use, and reduced decision ethicality. Conducting a structured outcome evaluation had no impact on these outcomes. Results indicate that those who use case-based instruction should take care to use clear, less complex cases with only a singular outcome if they are seeking these types of outcomes.

All-atom molecular dynamics simulation of a photosystem i/detergent complex.

PubMed

Harris, Bradley J; Cheng, Xiaolin; Frymier, Paul

2014-10-09

All-atom molecular dynamics (MD) simulation was used to investigate the solution structure and dynamics of the photosynthetic pigment-protein complex photosystem I (PSI) from Thermosynechococcus elongatus embedded in a toroidal belt of n-dodecyl-β-d-maltoside (DDM) detergent. Evaluation of root-mean-square deviations (RMSDs) relative to the known crystal structure show that the protein complex surrounded by DDM molecules is stable during the 200 ns simulation time, and root-mean-square fluctuation (RMSF) analysis indicates that regions of high local mobility correspond to solvent-exposed regions such as turns in the transmembrane α-helices and flexible loops on the stromal and lumenal faces. Comparing the protein-detergent complex to a pure detergent micelle, the detergent surrounding the PSI trimer is found to be less densely packed but with more ordered detergent tails, contrary to what is seen in most lipid bilayer models. We also investigated any functional implications for the observed conformational dynamics and protein-detergent interactions, discovering interesting structural changes in the psaL subunits associated with maintaining the trimeric structure of the protein. Importantly, we find that the docking of soluble electron mediators such as cytochrome c6 and ferredoxin to PSI is not significantly impacted by the solubilization of PSI in detergent.

Combining shock barometry with numerical modeling: Insights into complex crater formation—The example of the Siljan impact structure (Sweden)

NASA Astrophysics Data System (ADS)

Holm-Alwmark, Sanna; Rae, Auriol S. P.; Ferrière, Ludovic; Alwmark, Carl; Collins, Gareth S.

2017-12-01

Siljan, central Sweden, is the largest known impact structure in Europe. It was formed at about 380 Ma, in the late Devonian period. The structure has been heavily eroded to a level originally located underneath the crater floor, and to date, important questions about the original size and morphology of Siljan remain unanswered. Here we present the results of a shock barometry study of quartz-bearing surface and drill core samples combined with numerical modeling using iSALE. The investigated 13 bedrock granitoid samples show that the recorded shock pressure decreases with increasing depth from 15 to 20 GPa near the (present) surface, to 10-15 GPa at 600 m depth. A best-fit model that is consistent with observational constraints relating to the present size of the structure, the location of the downfaulted sediments, and the observed surface and vertical shock barometry profiles is presented. The best-fit model results in a final crater (rim-to-rim) diameter of 65 km. According to our simulations, the original Siljan impact structure would have been a peak-ring crater. Siljan was formed in a mixed target of Paleozoic sedimentary rocks overlaying crystalline basement. Our modeling suggests that, at the time of impact, the sedimentary sequence was approximately 3 km thick. Since then, there has been around 4 km of erosion of the structure.

Professional Identity Formation: Considerations for Athletic Training Education

ERIC Educational Resources Information Center

Peer, Kimberly S.

2016-01-01

Clinical education is a complex element of educational programs in health care. Understanding identity is important because how educators structure learning experiences and foster the development of professionals within these programs impacts students as they emerge into professional practice. This article discusses five cultural dimensions of…

Structural and functional impacts of copy number variations on the cattle genome

USDA-ARS?s Scientific Manuscript database

Although there have been significant advances in resolving the pattern and nature of single nucleotide polymorphisms (SNPs), similar realizations for larger, more complex forms of genetic variation have just emerged. Several recent publications reveal that copy number variations (CNVs) are common an...

Anatomy of the Chesapeake Bay impact structure revealed by seismic imaging, Delmarva Peninsula, Virginia, USA

USGS Publications Warehouse

Catchings, R.D.; Powars, D.S.; Gohn, G.S.; Horton, J. Wright; Goldman, M.R.; Hole, J.A.

2008-01-01

A 30-km-long, radial seismic reflection and refraction survey completed across the northern part of the late Eocene Chesapeake Bay impact structure (CBIS) on the Delmarva Peninsula, Virginia, USA, confirms that the CBIS is a complex central-peak crater. We used a tomographic P wave velocity model and low-fold reflection images, constrained by data from two deep boreholes located on the profile, to interpret the structure and composition of the upper 5 km of crust. The seismic images exhibit well-defined structural features, including (with increasing radial distance) a collapsed central uplift, a breccia-filled moat, and a collapsed transient-crater margin (which collectively constitute a ???40-km-wide collapsed transient crater), and a shallowly deformed annular trough. These seismic images are the first to resolve the deep structure of the crater (>1 km) and the boundaries between the central uplift, moat, and annular trough. Several distinct seismic signatures distinguish breccia units from each other and from more coherent crystalline rocks below the central uplift, moat, and annular trough. Within the moat, breccia extends to a minimum depth of 1.5 km or a maximum of 3.5 km, depending upon the interpretation of the deepest layered materials. The images show ???350 to 500 m of postimpact sediments above the impactites. The imaged structure of the CBIS indicates a complex sequence of event during the cratering process that will provide new constraints for numerical modeling. Copyright 2008 by the American Geophysical Union.

Design and 4D Printing of Cross-Folded Origami Structures: A Preliminary Investigation

PubMed Central

Teoh, Joanne Ee Mei; Feng, Xiaofan; Zhao, Yue; Liu, Yong

2018-01-01

In 4D printing research, different types of complex structure folding and unfolding have been investigated. However, research on cross-folding of origami structures (defined as a folding structure with at least two overlapping folds) has not been reported. This research focuses on the investigation of cross-folding structures using multi-material components along different axes and different horizontal hinge thickness with single homogeneous material. Tensile tests were conducted to determine the impact of multi-material components and horizontal hinge thickness. In the case of multi-material structures, the hybrid material composition has a significant impact on the overall maximum strain and Young’s modulus properties. In the case of single material structures, the shape recovery speed is inversely proportional to the horizontal hinge thickness, while the flexural or bending strength is proportional to the horizontal hinge thickness. A hinge with a thickness of 0.5 mm could be folded three times prior to fracture whilst a hinge with a thickness of 0.3 mm could be folded only once prior to fracture. A hinge with a thickness of 0.1 mm could not even be folded without cracking. The introduction of a physical hole in the center of the folding/unfolding line provided stress relief and prevented fracture. A complex flower petal shape was used to successfully demonstrate the implementation of overlapping and non-overlapping folding lines using both single material segments and multi-material segments. Design guidelines for establishing cross-folding structures using multi-material components along different axes and different horizontal hinge thicknesses with single or homogeneous material were established. These guidelines can be used to design and implement complex origami structures with overlapping and non-overlapping folding lines. Combined overlapping folding structures could be implemented and allocating specific hole locations in the overall designs could be further explored. In addition, creating a more precise prediction by investigating sets of in between hinge thicknesses and comparing the folding times before fracture, will be the subject of future work. PMID:29510503

Interactions of Zn(II) Ions with Humic Acids Isolated from Various Type of Soils. Effect of pH, Zn Concentrations and Humic Acids Chemical Properties.

PubMed

Boguta, Patrycja; Sokołowska, Zofia

2016-01-01

The main aim of this study was the analysis of the interaction between humic acids (HAs) from different soils and Zn(II) ions at wide concentration ranges and at two different pHs, 5 and 7, by using fluorescence and FTIR spectroscopy, as well as potentiometric measurements. The presence of a few areas of HAs structures responsible for Zn(II) complexing was revealed. Complexation at α-sites (low humified structures of low-molecular weight and aromatic polycondensation) and β-sites (weakly humified structures) was stronger at pH 7 than 5. This trend was not observed for γ-sites (structures with linearly-condensed aromatic rings, unsaturated bonds and large molecular weight). The amount of metal complexed at pH5 and 7 by α and γ-structures increased with a decrease in humification and aromaticity of HAs, contrary to β-areas where complexation increased with increasing content of carboxylic groups. The stability of complexes was higher at pH 7 and was the highest for γ-structures. At pH 5, stability decreased with C/N increase for α-areas and -COOH content increase for β-sites; stability increased with humification decrease for γ-structures. The stability of complexes at α and β-areas at pH 7 decreased with a drop in HAs humification. FTIR spectra at pH 5 revealed that the most-humified HAs tended to cause bidentate bridging coordination, while in the case of the least-humified HAs, Zn caused bidentate bridging coordination at low Zn additions and bidentate chelation at the highest Zn concentrations. Low Zn doses at pH 7 caused formation of unidentate complexes while higher Zn doses caused bidentate bridging. Such processes were noticed for HAs characterized by high oxidation degree and high oxygen functional group content; where these were low, HAs displayed bidentate bridging or even bidentate chelation. To summarize, the above studies have showed significant impact of Zn concentration, pH and some properties of HAs on complexation reactions of humic acids with zinc.

Interactions of Zn(II) Ions with Humic Acids Isolated from Various Type of Soils. Effect of pH, Zn Concentrations and Humic Acids Chemical Properties

PubMed Central

Boguta, Patrycja; Sokołowska, Zofia

2016-01-01

The main aim of this study was the analysis of the interaction between humic acids (HAs) from different soils and Zn(II) ions at wide concentration ranges and at two different pHs, 5 and 7, by using fluorescence and FTIR spectroscopy, as well as potentiometric measurements. The presence of a few areas of HAs structures responsible for Zn(II) complexing was revealed. Complexation at α-sites (low humified structures of low-molecular weight and aromatic polycondensation) and β-sites (weakly humified structures) was stronger at pH 7 than 5. This trend was not observed for γ-sites (structures with linearly-condensed aromatic rings, unsaturated bonds and large molecular weight). The amount of metal complexed at pH5 and 7 by α and γ-structures increased with a decrease in humification and aromaticity of HAs, contrary to β-areas where complexation increased with increasing content of carboxylic groups. The stability of complexes was higher at pH 7 and was the highest for γ-structures. At pH 5, stability decreased with C/N increase for α-areas and -COOH content increase for β-sites; stability increased with humification decrease for γ-structures. The stability of complexes at α and β-areas at pH 7 decreased with a drop in HAs humification. FTIR spectra at pH 5 revealed that the most-humified HAs tended to cause bidentate bridging coordination, while in the case of the least-humified HAs, Zn caused bidentate bridging coordination at low Zn additions and bidentate chelation at the highest Zn concentrations. Low Zn doses at pH 7 caused formation of unidentate complexes while higher Zn doses caused bidentate bridging. Such processes were noticed for HAs characterized by high oxidation degree and high oxygen functional group content; where these were low, HAs displayed bidentate bridging or even bidentate chelation. To summarize, the above studies have showed significant impact of Zn concentration, pH and some properties of HAs on complexation reactions of humic acids with zinc. PMID:27077915

Meeting Report: Structural Determination of Environmentally Responsive Proteins

PubMed Central

Reinlib, Leslie

2005-01-01

The three-dimensional structure of gene products continues to be a missing lynchpin between linear genome sequences and our understanding of the normal and abnormal function of proteins and pathways. Enhanced activity in this area is likely to lead to better understanding of how discrete changes in molecular patterns and conformation underlie functional changes in protein complexes and, with it, sensitivity of an individual to an exposure. The National Institute of Environmental Health Sciences convened a workshop of experts in structural determination and environmental health to solicit advice for future research in structural resolution relative to environmentally responsive proteins and pathways. The highest priorities recommended by the workshop were to support studies of structure, analysis, control, and design of conformational and functional states at molecular resolution for environmentally responsive molecules and complexes; promote understanding of dynamics, kinetics, and ligand responses; investigate the mechanisms and steps in posttranslational modifications, protein partnering, impact of genetic polymorphisms on structure/function, and ligand interactions; and encourage integrated experimental and computational approaches. The workshop participants also saw value in improving the throughput and purity of protein samples and macromolecular assemblies; developing optimal processes for design, production, and assembly of macromolecular complexes; encouraging studies on protein–protein and macromolecular interactions; and examining assemblies of individual proteins and their functions in pathways of interest for environmental health. PMID:16263521

Geological remote sensing signatures of terrestrial impact craters

NASA Technical Reports Server (NTRS)

Garvin, J. B.; Schnetzler, C.; Grieve, R. A. F.

1988-01-01

Geological remote sensing techniques can be used to investigate structural, depositional, and shock metamorphic effects associated with hypervelocity impact structures, some of which may be linked to global Earth system catastrophies. Although detailed laboratory and field investigations are necessary to establish conclusive evidence of an impact origin for suspected crater landforms, the synoptic perspective provided by various remote sensing systems can often serve as a pathfinder to key deposits which can then be targetted for intensive field study. In addition, remote sensing imagery can be used as a tool in the search for impact and other catastrophic explosion landforms on the basis of localized disruption and anomaly patterns. In order to reconstruct original dimensions of large, complex impact features in isolated, inaccessible regions, remote sensing imagery can be used to make preliminary estimates in the absence of field geophysical surveys. The experienced gained from two decades of planetary remote sensing of impact craters on the terrestrial planets, as well as the techniques developed for recognizing stages of degradation and initial crater morphology, can now be applied to the problem of discovering and studying eroded impact landforms on Earth. Preliminary results of remote sensing analyses of a set of terrestrial impact features in various states of degradation, geologic settings, and for a broad range of diameters and hence energies of formation are summarized. The intention is to develop a database of remote sensing signatures for catastrophic impact landforms which can then be used in EOS-era global surveys as the basis for locating the possibly hundreds of missing impact structures. In addition, refinement of initial dimensions of extremely recent structures such as Zhamanshin and Bosumtwi is an important objective in order to permit re-evaluation of global Earth system responses associated with these types of events.

Statistical Determinants of Selective Ionic Complexation: Ions in Solvent, Transport Proteins, and Other “Hosts”

PubMed Central

Bostick, David L.; Brooks, Charles L.

2009-01-01

To provide utility in understanding the molecular evolution of ion-selective biomembrane channels/transporters, globular proteins, and ionophoric compounds, as well as in guiding their modification and design, we present a statistical mechanical basis for deconstructing the impact of the coordination structure and chemistry of selective multidentate ionic complexes. The deconstruction augments familiar ideas in liquid structure theory to realize the ionic complex as an open ion-ligated system acting under the influence of an “external field” provided by the host (or surrounding medium). Using considerations derived from this basis, we show that selective complexation arises from exploitation of a particular ion's coordination preferences. These preferences derive from a balance of interactions much like that which dictates the Hofmeister effect. By analyzing the coordination-state space of small family IA and VIIA ions in simulated fluid media, we derive domains of coordinated states that confer selectivity for a given ion upon isolating and constraining particular attributes (order parameters) of a complex comprised of a given type of ligand. We demonstrate that such domains may be used to rationalize the ion-coordinated environments provided by selective ionophores and biological ion channels/transporters of known structure, and that they can serve as a means toward deriving rational design principles for ion-selective hosts. PMID:19486671

Geology of Lofn Crater, Callisto

NASA Technical Reports Server (NTRS)

Greeley, Ronald; Heiner, Sarah; Klemaszewski, James E.

2001-01-01

Lofn crater is a 180-km-diameter impact structure in the southern cratered plains of Callisto and is among the youngest features seen on the surface. The Lofn area was imaged by the Galileo spacecraft at regional-scale resolutions (875 m/pixel), which enable the general geology to be investigated. The morphology of Lofn crater suggests that (1) it is a class of impact structure intermediate between complex craters and palimpsests or (2) it formed by the impact of a projectile which fragmented before reaching the surface, resulting in a shallow crater (even for Callisto). The asymmetric pattern of the rim and ejecta deposits suggests that the impactor entered at a low angle from the northwest. The albedo and other characteristics of the ejecta deposits from Lofn also provide insight into the properties of the icy lithosphere and subsurface configuration at the time of impact. The "target" for the Lofn impact is inferred to have included layered materials associated with the Adlinda multiring structure northwest of Loh and ejecta deposits from the Heimdall crater area to the southeast. The Lofn impact might have penetrated through these materials into a viscous substrate of ductile ice or possibly liquid water. This interpretation is consistent with models of the current interior of Callisto based on geophysical information obtained from the Galileo spacecraft.

Kinetics of the LOV domain of ZEITLUPE determine its circadian function in Arabidopsis

PubMed Central

Pudasaini, Ashutosh; Shim, Jae Sung; Song, Young Hun; Shi, Hua; Kiba, Takatoshi; Somers, David E; Imaizumi, Takato; Zoltowski, Brian D

2017-01-01

A LOV (Light, Oxygen, or Voltage) domain containing blue-light photoreceptor ZEITLUPE (ZTL) directs circadian timing by degrading clock proteins in plants. Functions hinge upon allosteric differences coupled to the ZTL photocycle; however, structural and kinetic information was unavailable. Herein, we tune the ZTL photocycle over two orders of magnitude. These variants reveal that ZTL complexes with targets independent of light, but dictates enhanced protein degradation in the dark. In vivo experiments definitively show photocycle kinetics dictate the rate of clock component degradation, thereby impacting circadian period. Structural studies demonstrate that photocycle dependent activation of ZTL depends on an unusual dark-state conformation of ZTL. Crystal structures of ZTL LOV domain confirm delineation of structural and kinetic mechanisms and identify an evolutionarily selected allosteric hinge differentiating modes of PAS/LOV signal transduction. The combined biochemical, genetic and structural studies provide new mechanisms indicating how PAS/LOV proteins integrate environmental variables in complex networks. DOI: http://dx.doi.org/10.7554/eLife.21646.001 PMID:28244872

Original size of the Vredefort structure, South Africa

NASA Technical Reports Server (NTRS)

Therriault, A. M.; Reid, A. M.; Reimold, W. U.

1993-01-01

The Vredefort structure is located approximately 120 km southwest of Johannesburg, South Africa, and is deeply eroded. Controversies remain on the origin of this structure with the most popular hypotheses being: (1) by impact cratering about 2.0 Ga; (2) as a cryptoexplosion structure about 2.0 Ga; and (3) by purely tectonic processes starting at about 3.0 Ga and ending with the Vredefort event at 2.0 Ga. In view of recent work in which the granophyre dikes are interpreted as the erosional remants of a more extensive impact melt sheet, injected downward into the underlying country rocks, the impact origin hypothesis for Vredefort is adopted. In order to estimate the original dimensions of the Vredefort impact structure, it is assumed that the structure was initially circular, that its predeformation center corresponds to the center of the granitic core, and that the pre-Vredefort geology of the area prior to approximately 2.0 Ga ago is as suggested by Fletcher and Reimold. The spatial relationship between shock metamorphic effects, the shock pressures they record, and the morphological features of the crater were established for a number of large terrestrial craters. The principles of crater formation at large complex impact structures comparable in size to Vredefort were also established, although many details remain unresolved. An important conclusion is that the transient crater, which is formed directly by excavation and displacement by the shock-induced cratering flow-field (i.e., the particle velocity flow field existing in the region of the transient crater but behind the initial outgoing shock front), is highly modified during the late stage processes. The original transient crater diameter lies well within the final rim of the crater, which is established by structural movements during late-stage cavity modification.

The effect of sign language structure on complex word reading in Chinese deaf adolescents.

PubMed

Lu, Aitao; Yu, Yanping; Niu, Jiaxin; Zhang, John X

2015-01-01

The present study was carried out to investigate whether sign language structure plays a role in the processing of complex words (i.e., derivational and compound words), in particular, the delay of complex word reading in deaf adolescents. Chinese deaf adolescents were found to respond faster to derivational words than to compound words for one-sign-structure words, but showed comparable performance for two-sign-structure words. For both derivational and compound words, response latencies to one-sign-structure words were shorter than to two-sign-structure words. These results provide strong evidence that the structure of sign language affects written word processing in Chinese. Additionally, differences between derivational and compound words in the one-sign-structure condition indicate that Chinese deaf adolescents acquire print morphological awareness. The results also showed that delayed word reading was found in derivational words with two signs (DW-2), compound words with one sign (CW-1), and compound words with two signs (CW-2), but not in derivational words with one sign (DW-1), with the delay being maximum in DW-2, medium in CW-2, and minimum in CW-1, suggesting that the structure of sign language has an impact on the delayed processing of Chinese written words in deaf adolescents. These results provide insight into the mechanisms about how sign language structure affects written word processing and its delayed processing relative to their hearing peers of the same age.

Complex Systems

PubMed Central

Goldberger, Ary L.

2006-01-01

Physiologic systems in health and disease display an extraordinary range of temporal behaviors and structural patterns that defy understanding based on linear constructs, reductionist strategies, and classical homeostasis. Application of concepts and computational tools derived from the contemporary study of complex systems, including nonlinear dynamics, fractals and “chaos theory,” is having an increasing impact on biology and medicine. This presentation provides a brief overview of an emerging area of biomedical research, including recent applications to cardiopulmonary medicine and chronic obstructive lung disease. PMID:16921107

Third Conference on Fibrous Composites in Flight Vehicle Design, part 1

NASA Technical Reports Server (NTRS)

1976-01-01

The use of fibrous composite materials in the design of aircraft and space vehicle structures and their impact on future vehicle systems are discussed. The topics covered include: flight test work on composite components, design concepts and hardware, specialized applications, operational experience, certification and design criteria. Contributions to the design technology base include data concerning material properties, design procedures, environmental exposure effects, manufacturing procedures, and flight service reliability. By including composites as baseline design materials, significant payoffs are expected in terms of reduced structural weight fractions, longer structural life, reduced fuel consumption, reduced structural complexity, and reduced manufacturing cost.

Design, Fabrication and Testing of a Crushable Energy Absorber for a Passive Earth Entry Vehicle

NASA Technical Reports Server (NTRS)

Kellas, Sotiris; Corliss, James M. (Technical Monitor)

2002-01-01

A conceptual study was performed to investigate the impact response of a crushable energy absorber for a passive Earth entry vehicle. The spherical energy-absorbing concept consisted of a foam-filled composite cellular structure capable of omni-directional impact-load attenuation as well as penetration resistance. Five composite cellular samples of hemispherical geometry were fabricated and tested dynamically with impact speeds varying from 30 to 42 meters per second. Theoretical crush load predictions were obtained with the aid of a generalized theory which accounts for the energy dissipated during the folding deformation of the cell-walls. Excellent correlation was obtained between theoretical predictions and experimental tests on characteristic cell-web intersections. Good correlation of theory with experiment was also found to exist for the more complex spherical cellular structures. All preliminary design requirements were met by the cellular structure concept, which exhibited a near-ideal sustained crush-load and approximately 90% crush stroke.

Education Reform in Bolivia: Transitions towards Which Future?

ERIC Educational Resources Information Center

Arrueta, Jose Antonio; Avery, Helen

2012-01-01

This article concerns the impact of educational reforms on young people in Bolivian society as they transition into adulthood, against the backdrop of globalisation and far-reaching structural changes. Ethnicity and cultural capital are linked in complex ways with social stratification in Bolivia. In a pluricultural society, the language of…

Exploring Pattern of Socialisation Conditions and Human Development by Nonlinear Multivariate Analysis.

ERIC Educational Resources Information Center

Grundmann, Matthias

Following the assumptions of ecological socialization research, adequate analysis of socialization conditions must take into account the multilevel and multivariate structure of social factors that impact on human development. This statement implies that complex models of family configurations or of socialization factors are needed to explain the…

Impact detection method for composite winglets based on neural network implementation

NASA Astrophysics Data System (ADS)

Viscardi, Massimo; Arena, Maurizio; Napolitano, Pasquale

2018-03-01

Maintenance tasks and safety aspects represent a strategic role in the managing of the modern aircraft fleets. The demand for reliable techniques for structural health monitoring represent so a key aspect looking forward to new generation aircraft. In particular, the use of more technologically complex materials and manufacturing methods requires anyway more efficient as well as rapid application processes to improve the design strength and service life. Actually, it is necessary to rely on survey instruments, which allow for safeguarding the structural integrity of the aircraft, especially after the wide use of composite structures highly susceptible to non-detected damages as delamination of the ply. In this paper, the authors have investigated the feasibility to implement a neural network-based algorithm to predict the impact event at low frequency, typically due to the bird collision. Relying upon a numerical model, representative of a composite flat panel, the approach has been also experimentally validated. The purpose of the work is therefore the presentation of an innovative application within the Non Destructive Testing field based upon vibration measurements. The aim of the research has been the development of a Non Destructive Test which meets most of the mandatory requirements for effective health monitoring systems while, at the same time, reducing as much as possible the complexity of the data analysis algorithm and the experimental acquisition instrumentation. Future activities will be addressed to test such technique on a more complex aeronautical system.

"Pruning of biomolecules and natural products (PBNP)": an innovative paradigm in drug discovery.

PubMed

Bathula, Surendar Reddy; Akondi, Srirama Murthy; Mainkar, Prathama S; Chandrasekhar, Srivari

2015-06-21

The source or inspiration of many marketed drugs can be traced back to natural product research. However, the chemical structure of natural products covers a wide spectrum from very simple to complex. With more complex structures it is often desirable to simplify the molecule whilst retaining the desired biological activity. This approach seeks to identify the structural unit or pharmacophore responsible for the desired activity. Such pharmacophores have been the start point for a wide range of lead generation and optimisation programmes using techniques such as Biology Oriented Synthesis, Diversity Oriented Synthesis, Diverted Total Synthesis, and Fragment Based Drug Discovery. This review discusses the literature precedence of simplification strategies in four areas of natural product research: proteins, polysaccharides, nucleic acids, and compounds isolated from natural product extracts, and their impact on identifying therapeutic products.

Ancient impact structures on modern continental shelves: The Chesapeake Bay, Montagnais, and Toms Canyon craters, Atlantic margin of North America

USGS Publications Warehouse

Poag, C. Wylie; Plescia, J.B.; Molzer, P.C.

2002-01-01

Three ancient impact craters (Chesapeake Bay - 35.7 Ma; Toms Canyon - 35.7 Ma; Montagnais - 51 Ma) and one multiring impact basin (Chicxulub - 65 Ma) are currently known to be buried beneath modern continental shelves. All occur on the passive Atlantic margin of North America in regions extensively explored by seismic reflection surveys in the search for oil and gas reserves. We limit our discussion herein to the three youngest structures. These craters were created by submarine impacts, which produced many structural and morphological features similar in construction, composition, and variability to those documented in well-preserved subaerial and planetary impact craters. The subcircular Chesapeake Bay (diameter 85 km) and ovate Montagnais (diameter 45-50 km) structures display outer-rim scarps, annular troughs, peak rings, inner basins, and central peaks similar to those incorporated in the widely cited conceptual model of complex impact craters. These craters differ in several respects from the model, however. For example, the Montagnais crater lacks a raised lip on the outer rim, the Chesapeake Bay crater displays only small remnants of a raised lip, and both craters contain an unusually thick body of impact breccia. The subtriangular Toms Canyon crater (diameter 20-22 km), on the other hand, contains none of the internal features of a complex crater, nor is it typical of a simple crater. It displays a prominent raised lip on the outer rim, but the lip is present only on the western side of the crater. In addition, each of these craters contains some distinct features, which are not present in one or both of the others. For example, the central peak at Montagnais rises well above the elevation of the outer rim, whereas at Chesapeake Bay, the outer rim is higher than the central peak. The floor of the Toms Canyon crater is marked by parallel deep troughs and linear ridges formed of sedimentary rocks, whereas at Chesapeake Bay, the crater floor contains concentric faults and compression ridges formed in rocks of the crystalline basement. The Chesapeake Bay crater is distinguished further by its cluster of at least 23 adjacent secondary craters. The North American tektite strewn field, a widespread deposit of distal ejecta, is thought to be derived from the Chesapeake Bay impact, perhaps with a small contribution from the Toms Canyon impact. No ejecta field is known to be associated with the Montagnais impact. No immediate major extinction event is directly linked to any of these three impacts. There is evidence, however, that the Chesapeake Bay and Toms Canyon impacts helped initiate a long-term pulse of warm global climate, whose eventual dissipation coincided with an early Oligocene mass extinction event, 2 Ma after the impacts.

Impact of electrostatics on the chemodynamics of highly charged metal-polymer nanoparticle complexes.

PubMed

Duval, Jérôme F L; Farinha, José Paulo S; Pinheiro, José P

2013-11-12

In this work, the impact of electrostatics on the stability constant, the rate of association/dissociation, and the lability of complexes formed between Cd(II), Pb(II), and carboxyl-modified polymer nanoparticles (also known as latex particles) of radius ∼ 50 nm is systematically investigated via electroanalytical measurements over a wide range of pHs and NaNO3 electrolyte concentrations. The corresponding interfacial structure and key electrostatic properties of the particles are independently derived from their electrokinetic response, successfully interpreted using soft particle electrohydrodynamic formalism, and complemented by Förster resonance energy transfer (FRET) analysis. The results underpin the presence of an ∼0.7-1 nm thick permeable and highly charged shell layer at the surface of the polymer nanoparticles. Their electrophoretic mobility further exhibits a minimum versus NaNO3 concentration due to strong polarization of the electric double layer. Integrating these structural and electrostatic particle features with recent theory on chemodynamics of particulate metal complexes yields a remarkable recovery of the measured increase in complex stability with increasing pH and/or decreasing solution salinity. In the case of the strongly binding Pb(II), the discrepancy at pH > 5.5 is unambiguously assigned to the formation of multidendate complexes with carboxylate groups located in the particle shell. With increasing pH and/or decreasing electrolyte concentration, the theory further predicts a kinetically controlled formation of metal complexes and a dramatic loss of their lability (especially for lead) on the time-scale of diffusion toward a macroscopic reactive electrode surface. These theoretical findings are again shown to be in agreement with experimental evidence.

Complexation of rice starch/flour and maize oil through heat moisture treatment: Structural, in vitro digestion and physicochemical properties.

PubMed

Chen, Xu; He, Xiaowei; Fu, Xiong; Zhang, Bin; Huang, Qiang

2017-05-01

This study investigated structural, in vitro digestion and physicochemical properties of normal rice starch (NRS)/flour (NRF) complexed with maize oil (MO) through heat-moisture treatment (HMT). The NRS-/NRF-MO complex displayed an increased pasting temperature and a decreased peak viscosity. After HMT, less ordered Maltese and more granule fragments were observed for NRS-/NRF-MO complex. Meanwhile, more aggregation was observed in the HMT samples with higher moisture contents. We found that higher onset temperature, lower enthalpy change and relative crystallinity of the NRS-/NRF-MO complex were associated with a higher moisture content of HMT samples. The higher moisture content of HMT was also favorable for the amylose-lipid complex formation. Differences in starch digestion properties were found for NRS-MO and NRF-MO complex. All of the NRS/NRF complexed MO after cooking showed lower rapidly digestible starch (RDS) contents compared with the control sample, therein NRS-/NRF- MO 20% exhibited the highest sum of the slowly digestible starch and resistant starch contents. In general, HMT had a greater impact on the in vitro digestion and physicochemical properties of flour samples compared with starch counterparts. Copyright © 2017 Elsevier B.V. All rights reserved.

Soot and palynologic analysis of Manson impact-related strata (Upper Cretaceous) of Iowa and South Dakota, USA

USGS Publications Warehouse

Varricchio, D.J.; Raven, R.F.; Wolbach, W.S.; Elsik, W.C.; Witzke, B.J.

2009-01-01

The Campanian Manson impact structure of Iowa represents the best-preserved, large-diameter complex crater within the continental U.S. To assess the timing and potential mode of crater infilling and the possible presence of an impact event horizon, we analyzed samples from both within and distal to the impact structure for their elemental carbon, soot and palynomorphs. Within the impact structure, identifiable soot occurred in fragmented impact breccia and suevite but not in lower impact-melt breccia. Although most of this soot likely represents reworking of material from older Cretaceous marine shales, one high soot concentration occurs with melt material in a Keweenawan Shale-Phanerozoic clast breccia mix. This represents the first association of soot and impact-generated materials within an impact structure and the best sample candidate for Manson impact-generated soot. No palynomorphs occurred in the impact melt breccia. Overlying suevite (Keweenawan Shale clast breccia) of the central peak yielded sparse and thermally altered palynomorphs, indicating deposition prior to full cooling of the crater debris. Presence of easily degraded soot also argues for rapid backfilling of the crater. Distal samples from South Dakota represent the Sharon Springs and Crow Creek members of the Pierre Shale 230 km northwest of the Manson impact structure. Although containing shocked grains, the Crow Creek preserves no soot. In contrast, the Sharon Springs, generally considered as predating the Manson impact, has significant soot quantities. Palynomorphs differ markedly across the unconformity separating the two members with the Crow Creek containing more terrestrial forms, normapolles, and older reworked palynomorphs, consistent with a terrestrial impact to the east. Origin of the Sharon Springs soot remains unclear. Given soot occurrence within four of the five Cretaceous marine units sampled, the relatively shallow, anoxic bottom conditions of the Western Interior Cretaceous Seaway may have simply favored soot preservation. Until a better understanding of the broader occurrence and preservation of soot is achieved, some soot-impact associations will remain ambiguous. ?? 2008 Elsevier Ltd. All rights reserved.

Newly identified "Tunnunik" impact structure, Prince Albert Peninsula, northwestern Victoria Island, Arctic Canada

NASA Astrophysics Data System (ADS)

Dewing, Keith; Pratt, Brian R.; Hadlari, Thomas; Brent, Tom; BÉDard, Jean; Rainbird, Robert H.

2013-02-01

Regional geological mapping of the glaciated surface of northwestern Victoria Island in the western Canadian Arctic revealed an anomalous structure in otherwise flat-lying Neoproterozoic and lower Paleozoic carbonate rocks, located south of Richard Collinson Inlet. The feature is roughly circular in plan view, approximately 25 km in diameter, and characterized by quaquaversal dips of approximately 45°, decreasing laterally. The core of the feature also exhibits local vertical dips, low-angle reverse faults, and drag folds. Although brecciation was not observed, shatter cones are pervasive in all lithologies in the central area, including 723 Ma old dikes that penetrate Neoproterozoic limestones. Their abundance decreases distally, and none was observed in surrounding, horizontally bedded strata. This circular structure is interpreted as a deeply eroded meteorite impact crater of the complex type, and the dipping strata as the remnants of the central uplift. The variation in orientation and shape of shatter cones point to variably oriented stresses with the passage of the shock wave, possibly related to the presence of pore water in the target strata as well as rock type and lithological heterogeneities, especially bed thickness. Timing of impact is poorly constrained. The youngest rocks affected are Late Ordovician (approximately 450 Ma) and the impact structure is mantled by undisturbed postglacial sediments. Regional, hydrothermal dolomitization of the Ordovician limestones, possibly in the Late Devonian (approximately 360 Ma), took place before the impact, and widespread WSW-ENE-trending normal faults of probable Early Cretaceous age (approximately 130 Ma) apparently cross-cut the impact structure.

Entropy model of dissipative structure on corporate social responsibility

NASA Astrophysics Data System (ADS)

Li, Zuozhi; Jiang, Jie

2017-06-01

Enterprise is prompted to fulfill the social responsibility requirement by the internal and external environment. In this complex system, some studies suggest that firms have an orderly or chaotic entropy exchange behavior. Based on the theory of dissipative structure, this paper constructs the entropy index system of corporate social responsibility(CSR) and explores the dissipative structure of CSR through Brusselator model criterion. Picking up listed companies of the equipment manufacturing, the research shows that CSR has positive incentive to negative entropy and promotes the stability of dissipative structure. In short, the dissipative structure of CSR has a positive impact on the interests of stakeholders and corporate social images.

Artificial breakwaters as garbage bins: Structural complexity enhances anthropogenic litter accumulation in marine intertidal habitats.

PubMed

Aguilera, Moisés A; Broitman, Bernardo R; Thiel, Martin

2016-07-01

Coastal urban infrastructures are proliferating across the world, but knowledge about their emergent impacts is still limited. Here, we provide evidence that urban artificial reefs have a high potential to accumulate the diverse forms of litter originating from anthropogenic activities around cities. We test the hypothesis that the structural complexity of urban breakwaters, when compared with adjacent natural rocky intertidal habitats, is a driver of anthropogenic litter accumulation. We determined litter abundances at seven sites (cities) and estimated the structural complexity in both urban breakwaters and adjacent natural habitats from northern to central Chile, spanning a latitudinal gradient of ∼15° (18°S to 33°S). Anthropogenic litter density was significantly higher in coastal breakwaters when compared to natural habitats (∼15.1 items m(-2) on artificial reefs versus 7.4 items m(-2) in natural habitats) at all study sites, a pattern that was temporally persistent. Different litter categories were more abundant on the artificial reefs than in natural habitats, with local human population density and breakwater extension contributing to increase the probabilities of litter occurrence by ∼10%. In addition, structural complexity was about two-fold higher on artificial reefs, with anthropogenic litter density being highest at intermediate levels of structural complexity. Therefore, the spatial structure characteristic of artificial reefs seems to enhance anthropogenic litter accumulation, also leading to higher residence time and degradation potential. Our study highlights the interaction between coastal urban habitat modification by establishment of artificial reefs, and pollution. This emergent phenomenon is an important issue to be considered in future management plans and the engineering of coastal ecosystems. Copyright © 2016 Elsevier Ltd. All rights reserved.

Socio-cultural impacts of contemporary tourism.

PubMed

Jovicić, Dobrica

2011-06-01

The topic of the paper is devoted to analysis of socio-cultural impacts of tourism, as effects on the people of host communities resulting from their direct and indirect associations with tourists. The social and cultural impacts of tourism are the ways in which tourism is contributing to changes in value systems, individual behavior, family structure and relationships, collective lifestyles, safety levels, moral conduct, traditional ceremonies and community organizations. Special attention is devoted to considering complexity of tourists/host interrelationships and discussing the techniques for appraisal of quality and quantity of socio-cultural changes which tourism provokes in local communities.

Reef flattening effects on total richness and species responses in the Caribbean.

PubMed

Newman, Steven P; Meesters, Erik H; Dryden, Charlie S; Williams, Stacey M; Sanchez, Cristina; Mumby, Peter J; Polunin, Nicholas V C

2015-11-01

There has been ongoing flattening of Caribbean coral reefs with the loss of habitat having severe implications for these systems. Complexity and its structural components are important to fish species richness and community composition, but little is known about its role for other taxa or species-specific responses. This study reveals the importance of reef habitat complexity and structural components to different taxa of macrofauna, total species richness, and individual coral and fish species in the Caribbean. Species presence and richness of different taxa were visually quantified in one hundred 25-m(2) plots in three marine reserves in the Caribbean. Sampling was evenly distributed across five levels of visually estimated reef complexity, with five structural components also recorded: the number of corals, number of large corals, slope angle, maximum sponge and maximum octocoral height. Taking advantage of natural heterogeneity in structural complexity within a particular coral reef habitat (Orbicella reefs) and discrete environmental envelope, thus minimizing other sources of variability, the relative importance of reef complexity and structural components was quantified for different taxa and individual fish and coral species on Caribbean coral reefs using boosted regression trees (BRTs). Boosted regression tree models performed very well when explaining variability in total (82·3%), coral (80·6%) and fish species richness (77·3%), for which the greatest declines in richness occurred below intermediate reef complexity levels. Complexity accounted for very little of the variability in octocorals, sponges, arthropods, annelids or anemones. BRTs revealed species-specific variability and importance for reef complexity and structural components. Coral and fish species occupancy generally declined at low complexity levels, with the exception of two coral species (Pseudodiploria strigosa and Porites divaricata) and four fish species (Halichoeres bivittatus, H. maculipinna, Malacoctenus triangulatus and Stegastes partitus) more common at lower reef complexity levels. A significant interaction between country and reef complexity revealed a non-additive decline in species richness in areas of low complexity and the reserve in Puerto Rico. Flattening of Caribbean coral reefs will result in substantial species losses, with few winners. Individual structural components have considerable value to different species, and their loss may have profound impacts on population responses of coral and fish due to identity effects of key species, which underpin population richness and resilience and may affect essential ecosystem processes and services. © 2015 The Authors. Journal of Animal Ecology © 2015 British Ecological Society.

Relative Importance of Coral Cover, Habitat Complexity and Diversity in Determining the Structure of Reef Fish Communities

PubMed Central

Komyakova, Valeriya; Munday, Philip L.; Jones, Geoffrey P.

2013-01-01

The structure of coral reef habitat has a pronounced influence on the diversity, composition and abundance of reef-associated fishes. However, the particular features of the habitat that are most critical are not always known. Coral habitats can vary in many characteristics, notably live coral cover, topographic complexity and coral diversity, but the relative effects of these habitat characteristics are often not distinguished. Here, we investigate the strength of the relationships between these habitat features and local fish diversity, abundance and community structure in the lagoon of Lizard Island, Great Barrier Reef. In a spatial comparison using sixty-six 2m2 quadrats, fish species richness, total abundance and community structure were examined in relation to a wide range of habitat variables, including topographic complexity, habitat diversity, coral diversity, coral species richness, hard coral cover, branching coral cover and the cover of corymbose corals. Fish species richness and total abundance were strongly associated with coral species richness and cover, but only weakly associated with topographic complexity. Regression tree analysis showed that coral species richness accounted for most of the variation in fish species richness (63.6%), while hard coral cover explained more variation in total fish abundance (17.4%), than any other variable. In contrast, topographic complexity accounted for little spatial variation in reef fish assemblages. In degrading coral reef environments, the potential effects of loss of coral cover and topographic complexity are often emphasized, but these findings suggest that reduced coral biodiversity may ultimately have an equal, or greater, impact on reef-associated fish communities. PMID:24349455

Relative importance of coral cover, habitat complexity and diversity in determining the structure of reef fish communities.

PubMed

Komyakova, Valeriya; Munday, Philip L; Jones, Geoffrey P

2013-01-01

The structure of coral reef habitat has a pronounced influence on the diversity, composition and abundance of reef-associated fishes. However, the particular features of the habitat that are most critical are not always known. Coral habitats can vary in many characteristics, notably live coral cover, topographic complexity and coral diversity, but the relative effects of these habitat characteristics are often not distinguished. Here, we investigate the strength of the relationships between these habitat features and local fish diversity, abundance and community structure in the lagoon of Lizard Island, Great Barrier Reef. In a spatial comparison using sixty-six 2m(2) quadrats, fish species richness, total abundance and community structure were examined in relation to a wide range of habitat variables, including topographic complexity, habitat diversity, coral diversity, coral species richness, hard coral cover, branching coral cover and the cover of corymbose corals. Fish species richness and total abundance were strongly associated with coral species richness and cover, but only weakly associated with topographic complexity. Regression tree analysis showed that coral species richness accounted for most of the variation in fish species richness (63.6%), while hard coral cover explained more variation in total fish abundance (17.4%), than any other variable. In contrast, topographic complexity accounted for little spatial variation in reef fish assemblages. In degrading coral reef environments, the potential effects of loss of coral cover and topographic complexity are often emphasized, but these findings suggest that reduced coral biodiversity may ultimately have an equal, or greater, impact on reef-associated fish communities.

Interactive effects of temperature and habitat complexity on freshwater communities.

PubMed

Scrine, Jennifer; Jochum, Malte; Ólafsson, Jón S; O'Gorman, Eoin J

2017-11-01

Warming can lead to increased growth of plants or algae at the base of the food web, which may increase the overall complexity of habitat available for other organisms. Temperature and habitat complexity have both been shown to alter the structure and functioning of communities, but they may also have interactive effects, for example, if the shade provided by additional habitat negates the positive effect of temperature on understory plant or algal growth. This study explored the interactive effects of these two major environmental factors in a manipulative field experiment, by assessing changes in ecosystem functioning (primary production and decomposition) and community structure in the presence and absence of artificial plants along a natural stream temperature gradient of 5-18°C. There was no effect of temperature or habitat complexity on benthic primary production, but epiphytic production increased with temperature in the more complex habitat. Cellulose decomposition rate increased with temperature, but was unaffected by habitat complexity. Macroinvertebrate communities were less similar to each other as temperature increased, while habitat complexity only altered community composition in the coldest streams. There was also an overall increase in macroinvertebrate abundance, body mass, and biomass in the warmest streams, driven by increasing dominance of snails and blackfly larvae. Presence of habitat complexity, however, dampened the strength of this temperature effect on the abundance of macroinvertebrates in the benthos. The interactive effects that were observed suggest that habitat complexity can modify the effects of temperature on important ecosystem functions and community structure, which may alter energy flow through the food web. Given that warming is likely to increase habitat complexity, particularly at higher latitudes, more studies should investigate these two major environmental factors in combination to improve our ability to predict the impacts of future global change.

GRAIL gravity observations of the transition from complex crater to peak-ring basin on the Moon: Implications for crustal structure and impact basin formation

NASA Astrophysics Data System (ADS)

Baker, David M. H.; Head, James W.; Phillips, Roger J.; Neumann, Gregory A.; Bierson, Carver J.; Smith, David E.; Zuber, Maria T.

2017-08-01

High-resolution gravity data from the Gravity Recovery and Interior Laboratory (GRAIL) mission provide the opportunity to analyze the detailed gravity and crustal structure of impact features in the morphological transition from complex craters to peak-ring basins on the Moon. We calculate average radial profiles of free-air anomalies and Bouguer anomalies for peak-ring basins, protobasins, and the largest complex craters. Complex craters and protobasins have free-air anomalies that are positively correlated with surface topography, unlike the prominent lunar mascons (positive free-air anomalies in areas of low elevation) associated with large basins. The Bouguer gravity anomaly profiles of complex craters are highly irregular, with central positive anomalies that are generally absent or not clearly tied to interior morphology. In contrast, gravity profiles for peak-ring basins (∼200 km to 580 km) are much more regular and are highly correlated with surface morphology. A central positive Bouguer anomaly is confined within the peak ring and a negative Bouguer anomaly annulus extends from the edge of the positive anomaly outward to about the rim crest. A number of degraded basins lacking interior peak rings have diameters and gravity patterns similar to those of well-preserved peak-ring basins. If these structures represent degraded peak-ring basins, the number of peak-ring basins on the Moon would increase by more than a factor of two to 34. The gravity anomalies within basins are interpreted to be due to uplift of the mantle confined within the peak ring and an annulus of thickened crust between the peak ring and rim crest. We hypothesize that mantle uplift is influenced by interaction between the transient cavity and the mantle. Further, mascon formation is generally disconnected from the number of basin rings formed and occurs over a wide range of basin sizes. These observations have important implications for models of basin and mascon formation on the Moon and other planetary bodies.

The impact of structural biology in medicine illustrated with four case studies.

PubMed

Hu, Tiancen; Sprague, Elizabeth R; Fodor, Michelle; Stams, Travis; Clark, Kirk L; Cowan-Jacob, Sandra W

2018-01-01

The contributions of structural biology to drug discovery have expanded over the last 20 years from structure-based ligand optimization to a broad range of clinically relevant topics including the understanding of disease, target discovery, screening for new types of ligands, discovery of new modes of action, addressing clinical challenges such as side effects or resistance, and providing data to support drug registration. This expansion of scope is due to breakthroughs in the technology, which allow structural information to be obtained rapidly and for more complex molecular systems, but also due to the combination of different technologies such as X-ray, NMR, and other biophysical methods, which allows one to get a more complete molecular understanding of disease and ways to treat it. In this review, we provide examples of the types of impact molecular structure information can have in the clinic for both low molecular weight and biologic drug discovery and describe several case studies from our own work to illustrate some of these contributions.

Physical insight into the simultaneous optimization of structure and control

NASA Technical Reports Server (NTRS)

Jacques, Robert N.; Miller, David W.

1993-01-01

Recent trends in spacecraft design which yield larger structures with more stringent performance requirements place many flexible modes of the structure within the bandwidth of active controllers. The resulting complications to the spacecraft design make it highly desirable to understand the impact of structural changes on an optimally controlled structure. This work uses low structural models with optimal H(sub 2) and H(sub infinity) controllers to develop some basic insight into this problem. This insight concentrates on several basic approaches to improving controlled performance and how these approaches interact in determining the optimal designs. A numerical example is presented to demonstrate how this insight can be generalized to more complex problems.

Sky island bird populations isolated by ancient genetic barriers are characterized by different song traits than those isolated by recent deforestation.

PubMed

Purushotham, Chetana B; Robin, V V

2016-10-01

Various mechanisms of isolation can structure populations and result in cultural and genetic differentiation. Similar to genetic markers, for songbirds, culturally transmitted sexual signals such as breeding song can be used as a measure of differentiation as songs can also be impacted by geographic isolation resulting in population-level differences in song structure. Several studies have found differences in song structure either across ancient geographic barriers or across contemporary habitat barriers owing to deforestation. However, very few studies have examined the effect of both ancient barriers and recent deforestation in the same system. In this study, we examined the geographic variation in song structure across six populations of the White-bellied Shortwing, a threatened and endemic songbird species complex found on isolated mountaintops or "sky islands" of the Western Ghats. While some sky islands in the system are isolated by ancient valleys, others are separated by deforestation. We examined 14 frequency and temporal spectral traits and two syntax traits from 835 songs of 38 individuals across the six populations. We identified three major song clusters based on a discriminant model of spectral traits, degree of similarity of syntax features, as well as responses of birds to opportunistic playback. However, some traits like complex vocal mechanisms (CVM), relating to the use of syrinxes, clearly differentiated both ancient and recently fragmented populations. We suggest that CVMs may have a cultural basis and can be used to identify culturally isolated populations that cannot be differentiated using genetic markers or commonly used frequency-based song traits. Our results demonstrate the use of bird songs to reconstruct phylogenetic groups and impacts of habitat fragmentation even in complex scenarios of historic and contemporary isolation.

Structural integrity and containment aspects of small gas turbine engines

NASA Astrophysics Data System (ADS)

Gupta, S. S.; Gomuc, R.

1994-03-01

Structural integrity of rotating components in gas turbine engines is very crucial since their failure implies high impact energy, which, if uncontained, could mean damage to aircraft structures, controls, and so forth, and, in the worst scenario, even loss of lives. This final consequence has led to very stringent airworthiness regulations for engine/aircraft certifications. This paper discusses the historical statistics of noncontainment events in turbofans, turboprops, and turboshafts and shows how the damage severity varies between different applications and how changes to regulations are continuing in order to improve the reliability of aircraft/rotorcraft. The paper also presents design challenges resulting from the analysis complexity of containment/noncontainment event and the way Pratt & Whitney Canada design/analysis/test system caters to all the requirements. The weight and cost impact of possible changes to current regulations are also presented.

Impact analysis of automotive structures with distributed smart material systems

NASA Astrophysics Data System (ADS)

Peelamedu, Saravanan M.; Naganathan, Ganapathy; Buckley, Stephen J.

1999-06-01

New class of automobiles has structural skins that are quite different from their current designs. Particularly, new families of composite skins are developed with new injection molding processes. These skins while support the concept of lighter vehicles of the future, are also susceptible to damage upon impact. It is important that their design should be based on a better understanding on the type of impact loads and the resulting strains and damage. It is possible that these skins can be integrally designed with active materials to counter damages. This paper presents a preliminary analysis of a new class of automotive skins, using piezoceramic as a smart material. The main objective is to consider the complex system with, the skin to be modeled as a layered plate structure involving a lightweight material with foam and active materials imbedded on them. To begin with a cantilever beam structure is subjected to a load through piezoceramic and the resulting strain at the active material site is predicted accounting for the material properties, piezoceramic thickness, adhesive thickness including the effect of adhesives. A finite element analysis is carried out to compare experimental work. Further work in this direction would provide an analytical tool that will provide the basis for algorithms to predict and counter impacts on the future class of automobiles.

Search for Impact Craters in the Volcanic and Volcano-Sedimentary Terrains of Mexico

NASA Astrophysics Data System (ADS)

Bartali, R.; Fucugauchi, J. U.

2011-12-01

It has long been recognized that the numbers of impact craters documented in the terrestrial record are small compared to those of the Moon and other planets and satellites. Processes acting on the Earth surface including tectonics, volcanism and erosion contribute to erase, modify and cover evidence of crater-forming impacts that have occurred through Earth's history. Even evidence on large impact structures is limited to few examples, with only three complex multi-ring structures so far recognized. Chicxulub is a ~200 km diameter multi-ring crater formed by an impact in the southern Gulf of Mexico about 65.5 Ma ago at the Cretaceous/Paleogene boundary. Chicxulub is the only impact structure documented in Mexico, Central and northern South America (http:www.unb.ca/passc/ImpactDatabase). Chicxulub, located in the Yucatan platform buried under a kilometer of carbonate rocks, was initially identified from its concentric semi-circular gravity and magnetic anomaly patterns. Yucatan peninsula has a low-relief topography and high contrasts in physical properties between carbonate rocks, impact lithologies and deformed target rocks. In contrast, most of the country has an abrupt topography with limited outcrops of Paleozoic and Precambrian terrains. The extensive igneous cover of the Sierra Madre Occidental, Trans-Mexican volcanic belt and Sierra Madre del Sur makes search for impact craters a difficult task. Early attempts were limited by the numerous volcanic craters and lack of high-resolution geophysical data. As part of a new country-wide search program, we have been conducting studies in northern Mexico using remote sensing and geophysical data to document circular and semi-circular crater-like features. The search has identified several structures, some well exposed and characterized by simple crater morphologies and topographic rims. These landforms have been mapped, estimating their dimensions, distribution and characterizing the surrounding terrains. Aeromagnetic anomaly data from low-altitude surveys have been used to characterize the structures, together with geological and topographic maps. For the promising sites, low altitude aerial images and on-site reconnaissance surveys and sampling are completed. Sites studied include isolated structures built on low relief terrains as well as multiple crater-like structures on volcanic terrains. Here we present initial results of the project in the Chihuahua region and discuss the methods, findings and difficulties in identification of impact structures.

Development of a Subcell Based Modeling Approach for Modeling the Architecturally Dependent Impact Response of Triaxially Braided Polymer Matrix Composites

NASA Technical Reports Server (NTRS)

Sorini, Chris; Chattopadhyay, Aditi; Goldberg, Robert K.; Kohlman, Lee W.

2016-01-01

Understanding the high velocity impact response of polymer matrix composites with complex architectures is critical to many aerospace applications, including engine fan blade containment systems where the structure must be able to completely contain fan blades in the event of a blade-out. Despite the benefits offered by these materials, the complex nature of textile composites presents a significant challenge for the prediction of deformation and damage under both quasi-static and impact loading conditions. The relatively large mesoscale repeating unit cell (in comparison to the size of structural components) causes the material to behave like a structure rather than a homogeneous material. Impact experiments conducted at NASA Glenn Research Center have shown the damage patterns to be a function of the underlying material architecture. Traditional computational techniques that involve modeling these materials using smeared homogeneous, orthotropic material properties at the macroscale result in simulated damage patterns that are a function of the structural geometry, but not the material architecture. In order to preserve heterogeneity at the highest length scale in a robust yet computationally efficient manner, and capture the architecturally dependent damage patterns, a previously-developed subcell modeling approach where the braided composite unit cell is approximated as a series of four adjacent laminated composites is utilized. This work discusses the implementation of the subcell methodology into the commercial transient dynamic finite element code LS-DYNA (Livermore Software Technology Corp.). Verification and validation studies are also presented, including simulation of the tensile response of straight-sided and notched quasi-static coupons composed of a T700/PR520 triaxially braided [0deg/60deg/-60deg] composite. Based on the results of the verification and validation studies, advantages and limitations of the methodology as well as plans for future work are discussed.

Numerical Simulation of Blast Action on Civil Structures in Urban Environment

NASA Astrophysics Data System (ADS)

Valger, Svetlana A.; Fedorova, Natalya N.; Fedorov, Alexander V.

2017-10-01

Nowadays, a lot of industrial accidents accompanied by explosions are happening throughout the world. Also, increase in the number of terrorist acts committed by means of explosions is observed. For improving safety of buildings and structures it is necessary to raise their resistance to explosive effects, as well as to be able to predict degree of potential damage upon explosive loads of various intensities. One of the principal goals in designing the structure resistant to explosive effects is to determine the dynamic response of structures to the impact of the blast wave. To this end, the transient pressure loads on the walls of the civil engineering structures are to be determined. The simulation of explosion is highly complicated, involving an explosion causing the shock wave propagation in air and then interaction with a structure. The engineering-level techniques permit one to estimate an explosive shock impact only for isolated buildings. The complexity of the building, the presence of nearby structures and the surrounding environment cannot be taken into account. Advanced computer aid engineering (CAE) software techniques combined with the latest methods of discrete three-dimensional city modelling permits one to simulate and analyse the effects of explosions in urban areas with a precision which previously was not possible. In the paper, the simulation results are presented of shock wave forming due to a spherical explosive charge and its propagation in the vicinity of geometrical configuration imitating an urban environment. The numerical simulation of a flow in the vicinity of prisms of different cross-sections and heights located on a flat plate was performed. The calculations are carried out in a three-dimensional non-viscous formulation using ANSYS software. On a basis of simulation results, a complex wave structures were analysed, and all the peculiarities of flows and pressure history records on building walls were described and explained. The possibility of a correct description of the non-stationary wave flow in the vicinity of the complex of obstacles is demonstrated. The results are compared with the experimental data on the pressure distribution in gauges located on the prism walls. The estimation of shock wave exposure intensity was performed to different objects.

Contemporary Impact Analysis Methodology for Planetary Sample Return Missions

NASA Technical Reports Server (NTRS)

Perino, Scott V.; Bayandor, Javid; Samareh, Jamshid A.; Armand, Sasan C.

2015-01-01

Development of an Earth entry vehicle and the methodology created to evaluate the vehicle's impact landing response when returning to Earth is reported. NASA's future Mars Sample Return Mission requires a robust vehicle to return Martian samples back to Earth for analysis. The Earth entry vehicle is a proposed solution to this Mars mission requirement. During Earth reentry, the vehicle slows within the atmosphere and then impacts the ground at its terminal velocity. To protect the Martian samples, a spherical energy absorber called an impact sphere is under development. The impact sphere is composed of hybrid composite and crushable foam elements that endure large plastic deformations during impact and cause a highly nonlinear vehicle response. The developed analysis methodology captures a range of complex structural interactions and much of the failure physics that occurs during impact. Numerical models were created and benchmarked against experimental tests conducted at NASA Langley Research Center. The postimpact structural damage assessment showed close correlation between simulation predictions and experimental results. Acceleration, velocity, displacement, damage modes, and failure mechanisms were all effectively captured. These investigations demonstrate that the Earth entry vehicle has great potential in facilitating future sample return missions.

Large Impact Features on Icy Galilean Satellites

NASA Technical Reports Server (NTRS)

Moore, J. M.; Schenk, P. M.; Korycansky, D. G.

2017-01-01

Impact crater morphology can be a very useful tool for probing planetary interiors, but nowhere in the solar system is a greater variety of crater morphologies observed (Fig. 1) than on the large icy Galilean satellites Ganymede and Callisto [e.g., 1- 3]. As on the rocky terrestrial planets, impact crater morphology becomes more complex with increasing size on these satellites. With increasing size, however, these same craters become less like their counterparts on the rocky planets. Several impact landforms and structures (multiring furrows, palimpsests, and central domes, for example), have no obvious analogs on any other planets. Further, several studies [e.g., 4-6] have drawn attention to impact landforms on Europa which are unusual, even by Galilean satellite standards. These radical differences in morphology suggest that impact into icy lithospheres that are mechanically distinct from silicate lithospheres may be responsible. As such, large impact structures may be important probes of the interiors of these bodies over time [e.g., 7]. The first goal of this work is to integrate and correlate the detailed morphologic and morphometric measurements and observations of craters on icy Galilean satellites [e.g., 4, 8-12] with new detailed mapping of these structures from Galileo high-resolution images. As a result, we put forward a revised crater taxonomy for Ganymede and Callisto in order to simplify the nonuniform impact crater nomenclature cluttering the literature. We develop and present an integrated model for the development of these unusual crater morphologies and their implications for the thermal evolution of these bodies.

Impact of Interlayer Dwell Time on Microstructure and Mechanical Properties of Nickel and Titanium Alloys

NASA Astrophysics Data System (ADS)

Foster, B. K.; Beese, A. M.; Keist, J. S.; McHale, E. T.; Palmer, T. A.

2017-09-01

Path planning in additive manufacturing (AM) processes has an impact on the thermal histories experienced at discrete locations in simple and complex AM structures. One component of path planning in directed energy deposition is the time required for the laser or heat source to return to a given location to add another layer of material. As structures become larger and more complex, the length of this interlayer dwell time can significantly impact the resulting thermal histories. The impact of varying dwell times between 0 and 40 seconds on the microstructural and mechanical properties of Inconel® 625 and Ti-6Al-4V builds has been characterized. Even though these materials display different microstructures and solid-state phase transformations, the addition of an interlayer dwell generally led to a finer microstructure in both materials that impacted the resulting mechanical properties. With the addition of interlayer dwell times up to 40 seconds in the Inconel® 625 builds, finer secondary dendrite arm spacing values, produced by changes in the thermal history, correspond to increased yield and tensile strengths. These mechanical properties did not appear to change significantly, however, for dwell times greater than 20 seconds in the Inconel® 625 builds, indicating that longer dwell times have a minimal impact. The addition of interlayer dwell times in Ti-6Al-4V builds resulted in a slight decrease in the measured alpha lath widths and a much more noticeable decrease in the width of prior beta grains. In addition, the yield and tensile values continued to increase, nearly reaching the values observed in the rolled plate substrate material with dwell times up to 40 seconds.

Complexation and phase evolution at dimethylformamide-Ag(111) interfaces

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

Song, Wentao; Leung, Kevin; Shao, Qian

The interaction of solvent molecules with metallic surfaces impacts many interfacial chemical processes. We investigate the chemical and structure evolution that follows adsorption of the polar solvent dimethylformamide (DMF) on Ag(111). An Ag(DMF) 2 coordination complex forms spontaneously by DMF etching of Ag(111), yielding mixed films of the complexes and DMF. Utilizing ultrahigh vacuum scanning tunneling microscopy (UHV-STM), in combination with X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) computations, we map monolayer phases from the 2-D gas regime, consisting of a binary mixture of DMF and Ag(DMF) 2, through the saturation monolayer limit, in which these two chemicalmore » species phase separate into ordered islands. Structural models for the near-square DMF phase and the chain-like Ag(DMF) 2 phase are presented and supported by DFT computation. Interface evolution is summarized in a surface pressure-composition phase diagram, which allows structure prediction over arbitrary experimental conditions. In conclusion, this work reveals new surface coordination chemistry for an important electrolyte-electrode system, and illustrates how surface pressure can be used to tune monolayer phases.« less

Complexation and phase evolution at dimethylformamide-Ag(111) interfaces

DOE PAGES

Song, Wentao; Leung, Kevin; Shao, Qian; ...

2016-09-15

The interaction of solvent molecules with metallic surfaces impacts many interfacial chemical processes. We investigate the chemical and structure evolution that follows adsorption of the polar solvent dimethylformamide (DMF) on Ag(111). An Ag(DMF) 2 coordination complex forms spontaneously by DMF etching of Ag(111), yielding mixed films of the complexes and DMF. Utilizing ultrahigh vacuum scanning tunneling microscopy (UHV-STM), in combination with X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) computations, we map monolayer phases from the 2-D gas regime, consisting of a binary mixture of DMF and Ag(DMF) 2, through the saturation monolayer limit, in which these two chemicalmore » species phase separate into ordered islands. Structural models for the near-square DMF phase and the chain-like Ag(DMF) 2 phase are presented and supported by DFT computation. Interface evolution is summarized in a surface pressure-composition phase diagram, which allows structure prediction over arbitrary experimental conditions. In conclusion, this work reveals new surface coordination chemistry for an important electrolyte-electrode system, and illustrates how surface pressure can be used to tune monolayer phases.« less

Design of a transverse-flux permanent-magnet linear generator and controller for use with a free-piston stirling engine

NASA Astrophysics Data System (ADS)

Zheng, Jigui; Huang, Yuping; Wu, Hongxing; Zheng, Ping

2016-07-01

Transverse-flux with high efficiency has been applied in Stirling engine and permanent magnet synchronous linear generator system, however it is restricted for large application because of low and complex process. A novel type of cylindrical, non-overlapping, transverse-flux, and permanent-magnet linear motor(TFPLM) is investigated, furthermore, a high power factor and less process complexity structure research is developed. The impact of magnetic leakage factor on power factor is discussed, by using the Finite Element Analysis(FEA) model of stirling engine and TFPLM, an optimization method for electro-magnetic design of TFPLM is proposed based on magnetic leakage factor. The relation between power factor and structure parameter is investigated, and a structure parameter optimization method is proposed taking power factor maximum as a goal. At last, the test bench is founded, starting experimental and generating experimental are performed, and a good agreement of simulation and experimental is achieved. The power factor is improved and the process complexity is decreased. This research provides the instruction to design high-power factor permanent-magnet linear generator.

Slate Islands, Lake Superior, Canada: A mid-size, Complex Impact Structure

NASA Technical Reports Server (NTRS)

Dressler, B. O.; Sharpton, V. L.; Copeland, P.

1999-01-01

The target rocks of the 30-32-km diameter Slate Islands impact structure in northern Lake Superior, Canada, are Archean supracrustal and igneous rocks and supracrustal Proterozoic rocks. Shatter cones, pseudotachylites, impact glasses, and microscopic shock metamorphic features were formed during the contact and compression phase of the impact process, followed, during excavation and central uplift, by polymict, clastic matrix breccias in the uplifted target, and by allogenic fall-back breccias (suevite and bunte breccia). Monomict, autoclastic breccias were mainly observed on Mortimer Island and the other outlying islands of the archipelago and were probably generated relatively late in the impact process (central uplift and/or crater modification). The frequency of low index planar shock metamorphic features in quartz was correlated with results from shock experiments to estimate shock pressures experienced by the target rocks. The resulting shock attenuation plan across the archipelago is irregular, probably because the shock wave did not expand from a point or spherical source, and because of the destruction of an originally more regular shock attenuation plan during the central uplift and crater modification stages of the impact process. No impact melt rock bodies have been positively identified on the islands. An impact melt may be present in the annular trough around the islands, though and-based on a weighted mixture of target rocks-may have an intermediate-mafic composition. No such impact melt was found on the archipelago. An Ar-40-Ar-39 release spectrum of a pseudotachylite provides an age of about 436 Ma for the impact structure, substantiating age constraints based on various stratigraphic considerations.

Teaching Note--Teaching Intersectionality: Transforming Cultural Competence Content in Social Work Education

ERIC Educational Resources Information Center

Robinson, Michael Allen; Cross-Denny, Bronwyn; Lee, Karen Kyeunghae; Werkmeister Rozas, Lisa Marie; Yamada, Ann-Marie

2016-01-01

Intersectionality has been gaining momentum among social workers as a framework to allow a fuller understanding of the complexity of diverse social identities and the impact of social structures on power, privilege, and oppression. However, the application of intersectionality to teaching in social work education has been relatively absent in the…

Development of a fluorescent ASFV strain that retains the ability to cause disease in swine

USDA-ARS?s Scientific Manuscript database

African swine fever is a contagious and often lethal disease for domestic pigs with a significant economic impact for the swine industry. The etiological agent, African swine fever virus (ASFV), is a highly structurally complex double strain DNA virus. No effective vaccines or antiviral treatment ar...

CRISPR-Cas9, a tool to efficiently increase the development of recombinant African swine fever viruses

USDA-ARS?s Scientific Manuscript database

African swine fever is a contagious and often lethal disease for domestic pigs with a significant economic impact on the swine industry. The etiological agent, African swine fever virus (ASFV), is a highly structurally complex double stranded DNA virus. No effective vaccines or antiviral treatment ...

Microbial community structure is affected by cropping sequences and poultry litter under long-term no-tillage

USDA-ARS?s Scientific Manuscript database

Soil microorganisms play essential roles in soil organic matter dynamics and nutrient cycling in agroecosystems and have been used as soil quality indicators. The response of soil microbial communities to land management is complex and the long-term impacts of cropping systems on soil microbes is l...

An α-catenin déjà vu.

PubMed

Han, Siew-Ping; Yap, Alpha S

2013-03-01

α-Catenin exists as part of the cadherin-catenin adhesion complex as well as in a cytoplasmic pool. However, which of these pools is responsible for its biological impact remains controversial. A structure-function analysis in Drosophila melanogaster illuminates how the molecular properties of α-catenin translate into functional outcomes in an intact organism.

Educating for Creativity and Innovation

ERIC Educational Resources Information Center

Treffinger, Donald J.; Schoonover, Patricia F.; Selby, Edwin C.

2012-01-01

Today, more than ever before, we must all be able to think creatively, manage change, and solve complex, open-ended problems. Education today is different in its structure and practice than it was in any previous generation, not just because of the impact of technology and the Internet, but also because, across the lifespan, every person studies,…

Toward New Data and Information Management Solutions for Data-Intensive Ecological Research

ERIC Educational Resources Information Center

Laney, Christine Marie

2013-01-01

Ecosystem health is deteriorating in many parts of the world due to direct and indirect anthropogenic pressures. Generating accurate, useful, and impactful models of past, current, and future states of ecosystem structure and function is a complex endeavor that often requires vast amounts of data from multiple sources and knowledge from…

The Effect of Functional Flow Diagrams on Apprentice Aircraft Mechanics' Technical System Understanding.

ERIC Educational Resources Information Center

Johnson, Scott D.; Satchwell, Richard E.

1993-01-01

Describes an experimental study that tested the impact of a conceptual illustration on college students' understanding of the structure, function, and behavior of complex technical systems. The use of functional flow diagrams in aircraft mechanics' training is explained, a concept map analysis is discussed, and implications for technical training…

Seafloor Structural Geomorphic Evolution in Response to Seamount Subduction, Poverty Bay Indentation, New Zealand

NASA Astrophysics Data System (ADS)

Bodger, K. L.; Pettinga, J. R.; Barnes, P. M.

2006-12-01

More than 4000 km2 of high quality bathymetric and backscatter imaging of the Poverty Bay Indentation across the northern part of the Hikurangi subduction zone provide new insights into the relationship between seafloor morphology and active structures. The swath bathymetry extends from the edge of the continental shelf to the abyssal plain, at depths of between 100 to 3500 metres. The origin of the slope re-entrant is inferred to be related to multiple seamount impacts, and these collisions have initiated numerous large-scale gravitational collapse structures, multiple debris flow and avalanche deposits, which range in down-slope length from a few hundred metres to more than 40 km. The Poverty Bay Indentation has been simultaneously eroded by canyon systems that exhibit many of the features of incised river systems onshore. The swath images are complemented by the availability of excellent high-quality processed multi-channel seismic reflection data, single channel high-resolution 3.5 kHz seismic reflection data, as well as a limited number of core samples. Seismic reflection profiles and seafloor morphology are used to provide three morpho-structural sections. The comparison of these sections highlights the different effects of seamount subduction on the evolution of the margin and the re-entrant. The northern two sections are located to the north side of the re-entrant and reveal the role of seamount impact on the interrelationship between the structural evolution with respect to seafloor morphology. Here the development of an over-steepened margin with fault reactivation, inversion and over- printing leads to very complex structural styles of deformation and geometry in both seismic reflection profiles and seafloor morphology. There is evidence of an older, inactive thrust front buried beneath the upper and mid- slope basins. Beneath the mid-slope a subducted seamount is revealed by the presence of relief on the subduction interface and associated structural complexity in the over-riding wedge. The Poverty Bay canyon represents a structural transition zone coinciding with the re-entrant. The accretionary slope south of the re- entrant conforms more closely to the classic accretionary slope style of deformation. Backthrusts in this section propagate from a much shallower level than in the northern sections. Inversion is commonly observed in the mid slope and continental shelf basins, particularly to the south. Initial interpretations indicate that: i) seamount impact significantly influences the structural evolution, and submarine geomorphology of the inboard slope of the Hikurangi subduction zone, including the generation of large-scale gravitational collapse features; ii) the large gully systems located at the upper shelf slope boundary represent the most likely source areas for the multiple mega debris flows recognised from seafloor morphology and in seismic sections; iii) there exists a complex interaction between the evolving thrust-driven submarine ridges, ponded slope basins and the structural geometry and evolution of the near-surface fault zones (imbrication); iv) the submarine canyons may initiate complex patterns of fault zone segmentation and displacement transfer within the accretionary slope; and v) seamount subduction and subsequent instability of the margin may directly result in tsunami generation.

Measuring the impact of final demand on global production system based on Markov process

NASA Astrophysics Data System (ADS)

Xing, Lizhi; Guan, Jun; Wu, Shan

2018-07-01

Input-output table is a comprehensive and detailed in describing the national economic systems, consisting of supply and demand information among various industrial sectors. The complex network, a theory and method for measuring the structure of complex system, can depict the structural properties of social and economic systems, and reveal the complicated relationships between the inner hierarchies and the external macroeconomic functions. This paper tried to measure the globalization degree of industrial sectors on the global value chain. Firstly, it constructed inter-country input-output network models to reproduce the topological structure of global economic system. Secondly, it regarded the propagation of intermediate goods on the global value chain as Markov process and introduced counting first passage betweenness to quantify the added processing amount when globally final demand stimulates this production system. Thirdly, it analyzed the features of globalization at both global and country-sector level

Pre-eruptive Magnetic Reconnection within a Multi-flux-rope System in the Solar Corona

NASA Astrophysics Data System (ADS)

Awasthi, Arun Kumar; Liu, Rui; Wang, Haimin; Wang, Yuming; Shen, Chenglong

2018-04-01

The solar corona is frequently disrupted by coronal mass ejections (CMEs), whose core structure is believed to be a flux rope made of helical magnetic field. This has become a “standard” picture; though, it remains elusive how the flux rope forms and evolves toward eruption. While one-third of the ejecta passing through spacecraft demonstrate a flux-rope structure, the rest have complex magnetic fields. Are they originating from a coherent flux rope, too? Here we investigate the source region of a complex ejecta, focusing on a flare precursor with definitive signatures of magnetic reconnection, i.e., nonthermal electrons, flaring plasma, and bidirectional outflowing blobs. Aided by nonlinear force-free field modeling, we conclude that the reconnection occurs within a system of multiple braided flux ropes with different degrees of coherency. The observation signifies the importance of internal structure and dynamics in understanding CMEs and in predicting their impacts on Earth.

Impact of environmental diversity of hunting complexes in the Lublin region on ontogenetic quality indicators in roe deer (Capreolus capreolus).

PubMed

Czyżowski, Piotr; Drozd, Leszek; Karpiński, Mirosław; Tajchman, Katarzyna; Goleman, Małgorzata; Wojtaś, Justyna; Zieliński, Damian

2018-01-01

Populations of game are not confined to single ecosystems but function within higher-order units, e.g. ecological landscape. The basis for the establishment of the hunting complexes was the assumption that the existing game hunting grounds, i.e. the basic units implementing game management, are too small and do not cover the natural areas inhabited by game populations. Roe deer are flexible species and easily adapt to various site conditions, so they inhabit many different habitats, from large forest complexes, through small in-field tree stands and shrubs, to treeless grounds and field monocultures. The aim of the study was to determine a possible impact of environmental conditions prevailing in the hunting complexes of the Regional Directorate of State Forests (RDLP in Lublin) on the ontogenetic quality of roe deer. The study was conducted on 518 European roe deer ( Capreolus capreolus ) aged from 4 to 7 years (379 bucks and 139 does) harvested within hunting seasons 2010/2011-2013/2014. The results have shown that animals originating from areas with greater forest cover and denser stands are characterised by lower values of the mean ontogenetic quality parameters (carcase weight, kidney fat index, chest girth, weight of antlers) in comparison with animals from typical agricultural areas with fragmented forest complexes. These results indicate that, even in the case of such a eurytopic species as the roe deer, the ontogenetic quality differs between individual hunting complexes. The study has proved that strategies for hunting management of the roe deer should take into account the impact of the landscape structure, which provides a rationale behind creation of hunting complexes.

Rock magnetic and paleomagnetic study of the Keurusselkä impact structure, central Finland

NASA Astrophysics Data System (ADS)

Raiskila, Selen; Salminen, Johanna; Elbra, Tiiu; Pesonen, Lauri J.

2011-11-01

There are 31 proven impact structures in Fennoscandia—one of the most densely crater-populated areas of the Earth. The recently discovered Keurusselkä impact structure (62°08' N, 24°37' E) is located within the Central Finland Granitoid Complex, which formed 1890-1860 Ma ago during the Svecofennian orogeny. It is a deeply eroded complex crater that yields in situ shatter cones with evidence of shock metamorphism, e.g., planar deformation features in quartz. New petrophysical and rock magnetic results of shocked and unshocked target rocks of various lithologies combined with paleomagnetic studies are presented. The suggested central uplift with shatter cones is characterized by increased magnetization and susceptibility. The presence of magnetite and pyrrhotite was observed as carriers for the remanent magnetization. Four different remanent magnetization directions were isolated: (1) a characteristic Svecofennian target rock component A with a mean direction of D = 334.8°, I = 45.6°, α95 = 14.9° yielding a pole (Plat = 51.1°, Plon = 241.9°, A95 = 15.1°), (2) component B, D = 42.4°, I = 64.1°, α95 = 8.4° yielding a pole (Plat = 61.0°, Plon = 129.1°, A95 = 10.6°), (3) component C (D = 159.5°, I = 65.4°, α95 = 10.7°) yielding a pole (Plat = 21.0°, Plon = 39.3°, A95 = 15.6°), and (4) component E (D = 275.5°, I = 62.0°, α95 = 14.4°) yielding a pole (Plat = 39.7°, Plon = 314.3°, A95 = 19.7°). Components C and E are considered much younger, possibly Neoproterozoic overprints, compared with the components A and B. The pole of component B corresponds with the 1120 Ma pole of Salla diabase dyke and is in agreement with the 40Ar/39Ar age of 1140 Ma from a pseudotachylitic breccia vein in a central part of the structure. Therefore, component B could be related to the impact, and thus represent the impact age.

X-ray absorption near-edge spectroscopy in bioinorganic chemistry: Application to M–O2 systems

PubMed Central

Sarangi, Ritimukta

2012-01-01

Metal K-edge X-ray absorption spectroscopy (XAS) has been extensively applied to bioinorganic chemistry to obtain geometric structure information on metalloprotein and biomimetic model complex active sites by analyzing the higher energy extended X-ray absorption fine structure (EXAFS) region of the spectrum. In recent years, focus has been on developing methodologies to interpret the lower energy K-pre-edge and rising-edge regions (XANES) and using it for electronic structure determination in complex bioinorganic systems. In this review, the evolution and progress of 3d-transition metal K-pre-edge and rising-edge methodology development is presented with particular focus on applications to bioinorganic systems. Applications to biomimetic transition metal–O2 intermediates (M = Fe, Co, Ni and Cu) are reviewed, which demonstrate the power of the method as an electronic structure determination technique and its impact in understanding the role of supporting ligands in tuning the electronic configuration of transition metal–O2 systems. PMID:23525635

Diversity of basaltic lunar volcanism associated with buried impact structures: Implications for intrusive and extrusive events

NASA Astrophysics Data System (ADS)

Zhang, F.; Zhu, M.-H.; Bugiolacchi, R.; Huang, Q.; Osinski, G. R.; Xiao, L.; Zou, Y. L.

2018-06-01

Relatively denser basalt infilling and the upward displacement of the crust-mantle interface are thought to be contributing factors for the quasi-circular mass anomalies for buried impact craters in the lunar maria. Imagery and gravity observations from the Lunar Reconnaissance Orbiter (LRO) and dual Gravity Recovery and Interior Laboratory (GRAIL) missions have identified 10 partially or fully buried impact structures where diversity of observable basaltic mare volcanism exists. With a detailed investigation of the characteristics of associated volcanic landforms, we describe their spatial distribution relationship with respect to the subsurface tectonic structure of complex impact craters and propose possible models for the igneous processes which may take advantage of crater-related zones of weakness and enable magmas to reach the surface. We conclude that the lunar crust, having been fractured and reworked extensively by cratering, facilitates substance and energy exchange between different lunar systems, an effect modulated by tectonic activities both at global and regional scales. In addition, we propose that the intrusion-caused contribution to gravity anomalies should be considered in future studies, although this is commonly obscured by other physical factors such as mantle uplift and basalt load.

Four types of interference competition and their impacts on the ecology and evolution of size-structured populations and communities.

PubMed

Zhang, Lai; Andersen, Ken H; Dieckmann, Ulf; Brännström, Åke

2015-09-07

We investigate how four types of interference competition - which alternatively affect foraging, metabolism, survival, and reproduction - impact the ecology and evolution of size-structured populations. Even though all four types of interference competition reduce population biomass, interference competition at intermediate intensity sometimes significantly increases the abundance of adult individuals and the population׳s reproduction rate. We find that foraging and metabolic interference evolutionarily favor smaller maturation size when interference is weak and larger maturation size when interference is strong. The evolutionary response to survival interference and reproductive interference is always larger maturation size. We also investigate how the four types of interference competition impact the evolutionary dynamics and resultant diversity and trophic structure of size-structured communities. Like other types of trait-mediated competition, all four types of interference competition can induce disruptive selection and thus promote initial diversification. Even though foraging interference and reproductive interference are more potent in promoting initial diversification, they catalyze the formation of diverse communities with complex trophic structure only at high levels of interference intensity. By contrast, survival interference does so already at intermediate levels, while reproductive interference can only support relatively smaller communities with simpler trophic structure. Taken together, our results show how the type and intensity of interference competition jointly affect coexistence patterns in structured population models. Copyright © 2015 Elsevier Ltd. All rights reserved.

Modeling Low Velocity Impacts: Predicting Crater Depth on Pluto

NASA Astrophysics Data System (ADS)

Bray, V. J.; Schenk, P.

2014-12-01

The New Horizons mission is due to fly-by the Pluto system in Summer 2015 and provides the first opportunity to image the Pluto surface in detail, allowing both the appearance and number of its crater population to be studied for the first time. Bray and Schenk (2014) combined previous cratering studies and numerical modeling of the impact process to predict crater morphology on Pluto based on current understanding of Pluto's composition, structure and surrounding impactor population. Predictions of how the low mean impact velocity (~2km/s) of the Pluto system will influence crater formation is a complex issue. Observations of secondary cratering (low velocity, high angle) and laboratory experiments of impact at low velocity are at odds regarding how velocity controls depth-diameter ratios: Observations of secondary craters show that these low velocity craters are shallower than would be expected for a hyper-velocity primary. Conversely, gas gun work has shown that relative crater depth increases as impact velocity decreases. We have investigated the influence of impact velocity further with iSALE hydrocode modeling of comet impact into Pluto. With increasing impact velocity, a projectile will produce wider and deeper craters. The depth-diameter ratio (d/D) however has a more complex progression with increasing impact velocity: impacts faster than 2km/s lead to smaller d/D ratios as impact velocity increases, in agreement with gas-gun studies. However, decreasing impact velocity from 2km/s to 300 m/s produced smaller d/D as impact velocity was decreased. This suggests that on Pluto the deepest craters would be produced by ~ 2km/s impacts, with shallower craters produced by velocities either side of this critical point. Further simulations to investigate whether this effect is connected to the sound speed of the target material are ongoing. The complex relationship between impact velocity and crater depth for impacts occurring between 300m/s and 10 km/s suggests that there might be a larger range of 'pristine' crater depths on Pluto than on bodies with higher mean impact velocity. This might affect our ability to define a pristine crater depth as a starting point for crater infill and relaxation studies.

Geological History of the Tyre Region of Europa: A Regional Perspective on Europan Surface Features and Ice Thickness

NASA Technical Reports Server (NTRS)

Kadel, Steven D.; Chuang, Frank C.; Greeley, Ronald; Moore, Jeffrey M.

2000-01-01

Galileo images of the Tyre Macula region of Europa at regional (170 m/pixel) and local (approx. 40 m/pixel) scales allow mapping and understanding of surface processes and landforms. Ridged plains, doublet and complex ridges, shallow pits, domes, "chaos" areas. impact structures, tilted blocks and massifs, and young fracture systems indicate a complex history of surface deformation on Europa. Regional and local morphologies of the Tyre region of Europa suggest that an impactor penetrated through several kilometers of water ice tc a mobile layer below. The surface morphology was initially dominated by formation of ridged plains, followed by development of ridge bands and doublet ridges, with chaos and fracture formation dominating the latter part of the geologic history of the Tyre region. Two distinct types of chaos have been identified which, along with upwarped dome materials, appear to represent a continuum of features (domes-play chaos-knobby chaos) resulting from increasing degree of surface disruption associated with local lithospheric heating and thinning. Local and regional stratigraphic relationships, block heights, and the morphology of the Tyre impact structure suggest the presence of low-viscosity ice or liquid water beneath a thin (severa1 kilometers) surface ice shell at the time of the impact. The very low impact crater density on the surface of Europa suggests that this thin shell has either formed or been thoroughly resurfaced in the very recent past.

Shape Complementarity of Protein-Protein Complexes at Multiple Resolutions

PubMed Central

Zhang, Qing; Sanner, Michel; Olson, Arthur J.

2010-01-01

Biological complexes typically exhibit intermolecular interfaces of high shape complementarity. Many computational docking approaches use this surface complementarity as a guide in the search for predicting the structures of protein-protein complexes. Proteins often undergo conformational changes in order to create a highly complementary interface when associating. These conformational changes are a major cause of failure for automated docking procedures when predicting binding modes between proteins using their unbound conformations. Low resolution surfaces in which high frequency geometric details are omitted have been used to address this problem. These smoothed, or blurred, surfaces are expected to minimize the differences between free and bound structures, especially those that are due to side chain conformations or small backbone deviations. In spite of the fact that this approach has been used in many docking protocols, there has yet to be a systematic study of the effects of such surface smoothing on the shape complementarity of the resulting interfaces. Here we investigate this question by computing shape complementarity of a set of 66 protein-protein complexes represented by multi-resolution blurred surfaces. Complexed and unbound structures are available for these protein-protein complexes. They are a subset of complexes from a non-redundant docking benchmark selected for rigidity (i.e. the proteins undergo limited conformational changes between their bound and unbound states). In this work we construct the surfaces by isocontouring a density map obtained by accumulating the densities of Gaussian functions placed at all atom centers of the molecule. The smoothness or resolution is specified by a Gaussian fall-off coefficient, termed “blobbyness”. Shape complementarity is quantified using a histogram of the shortest distances between two proteins' surface mesh vertices for both the crystallographic complexes and the complexes built using the protein structures in their unbound conformation. The histograms calculated for the bound complex structures demonstrate that medium resolution smoothing (blobbyness=−0.9) can reproduce about 88% of the shape complementarity of atomic resolution surfaces. Complexes formed from the free component structures show a partial loss of shape complementarity (more overlaps and gaps) with the atomic resolution surfaces. For surfaces smoothed to low resolution (blobbyness=−0.3), we find more consistency of shape complementarity between the complexed and free cases. To further reduce bad contacts without significantly impacting the good contacts we introduce another blurred surface, in which the Gaussian densities of flexible atoms are reduced. From these results we discuss the use of shape complementarity in protein-protein docking. PMID:18837463

Results and Lessons Learned from a Coupled Social and Physical Hydrology Model: Testing Alternative Water Management Policies and Institutional Structures Using Agent-Based Modeling and Regional Hydrology

NASA Astrophysics Data System (ADS)

Murphy, J.; Lammers, R. B.; Prousevitch, A.; Ozik, J.; Altaweel, M.; Collier, N. T.; Kliskey, A. D.; Alessa, L.

2015-12-01

Water Management in the U.S. Southwest is under increasing scrutiny as many areas endure persistent drought. The impact of these prolonged dry conditions is a product of regional climate and hydrological conditions, but also of a highly engineered water management infrastructure and a complex web of social arrangements whereby water is allocated, shared, exchanged, used, re-used, and finally consumed. We coupled an agent-based model with a regional hydrological model to understand the dynamics in one richly studied and highly populous area: southern Arizona, U.S.A., including metropolitan Phoenix and Tucson. There, multiple management entities representing an array of municipalities and other water providers and customers, including private companies and Native American tribes are enmeshed in a complex legal and economic context in which water is bought, leased, banked, and exchanged in a variety of ways and on multiple temporal and physical scales. A recurrent question in the literature of adaptive management is the impact of management structure on overall system performance. To explore this, we constructed an agent-based model to capture this social complexity, and coupled this with a physical hydrological model that we used to drive the system under a variety of water stress scenarios and to assess the regional impact of the social system's performance. We report the outcomes of ensembles of runs in which varieties of alternative policy constraints and management strategies are considered. We hope to contribute to policy discussions in this area and connected and legislatively similar areas (such as California) as current conditions change and existing legal and policy structures are revised. Additionally, we comment on the challenges of integrating models that ostensibly are in different domains (physical and social) but that independently represent a system in which physical processes and human actions are closely intertwined and difficult to disentangle.

Chesapeake Bay impact structure: Morphology, crater fill, and relevance for impact structures on Mars

USGS Publications Warehouse

Horton, J. Wright; Ormo, J.; Powars, D.S.; Gohn, G.S.

2006-01-01

The late Eocene Chesapeake Bay impact structure (CBIS) on the Atlantic margin of Virginia is one of the largest and best-preserved "wet-target" craters on Earth. It provides an accessible analog for studying impact processes in layered and wet targets on volatile-rich planets. The CBIS formed in a layered target of water, weak clastic sediments, and hard crystalline rock. The buried structure consists of a deep, filled central crater, 38 km in width, surrounded by a shallower brim known as the annular trough. The annular trough formed partly by collapse of weak sediments, which expanded the structure to ???85 km in diameter. Such extensive collapse, in addition to excavation processes, can explain the "inverted sombrero" morphology observed at some craters in layered targets. The distribution of crater-fill materials i n the CBIS is related to the morphology. Suevitic breccia, including pre-resurge fallback deposits, is found in the central crater. Impact-modified sediments, formed by fluidization and collapse of water-saturated sand and silt-clay, occur in the annular trough. Allogenic sediment-clast breccia, interpreted as ocean-resurge deposits, overlies the other impactites and covers the entire crater beneath a blanket of postimpact sediments. The formation of chaotic terrains on Mars is attributed to collapse due to the release of volatiles from thick layered deposits. Some flat-floored rimless depressions with chaotic infill in these terrains are impact craters that expanded by collapse farther than expected for similar-sized complex craters in solid targets. Studies of crater materials in the CBIS provide insights into processes of crater expansion on Mars and their links to volatiles. ?? The Meteoritical Society, 2006.

Phenomenological Models and Animations of Welding and their Impact

NASA Astrophysics Data System (ADS)

DebRoy, Tarasankar

Professor Robertson's recognized research on metallurgical thermodynamics and kinetics for over 40 years facilitated the emergence of rigorous quantitative understanding of many complex metallurgical processes. The author had the opportunity to work with Professor Robertson on liquid metals in the 1970s. This paper is intended to review the advances in the quantitative understanding of welding processes and weld metal attributes in recent decades. Over this period, phenomenological models have been developed to better understand and control various welding processes and the structure and properties of welded materials. Numerical models and animations of melting, solidification and the evolution of micro and macro-structural features will be presented to critically examine their impact on the practice of welding and the underlying science.

Conifer ovulate cones accumulate pollen principally by simple impaction.

PubMed

Cresswell, James E; Henning, Kevin; Pennel, Christophe; Lahoubi, Mohamed; Patrick, Michael A; Young, Phillipe G; Tabor, Gavin R

2007-11-13

In many pine species (Family Pinaceae), ovulate cones structurally resemble a turbine, which has been widely interpreted as an adaptation for improving pollination by producing complex aerodynamic effects. We tested the turbine interpretation by quantifying patterns of pollen accumulation on ovulate cones in a wind tunnel and by using simulation models based on computational fluid dynamics. We used computer-aided design and computed tomography to create computational fluid dynamics model cones. We studied three species: Pinus radiata, Pinus sylvestris, and Cedrus libani. Irrespective of the approach or species studied, we found no evidence that turbine-like aerodynamics made a significant contribution to pollen accumulation, which instead occurred primarily by simple impaction. Consequently, we suggest alternative adaptive interpretations for the structure of ovulate cones.

Influence of airfoil geometry on delta wing leading-edge vortices and vortex-induced aerodynamics at supersonic speeds

NASA Technical Reports Server (NTRS)

Wood, Richard M.; Byrd, James E.; Wesselmann, Gary F.

1992-01-01

An assessment of the influence of airfoil geometry on delta wing leading edge vortex flow and vortex induced aerodynamics at supersonic speeds is discussed. A series of delta wing wind tunnel models were tested over a Mach number range from 1.7 to 2.0. The model geometric variables included leading edge sweep and airfoil shape. Surface pressure data, vapor screen, and oil flow photograph data were taken to evaluate the complex structure of the vortices and shocks on the family of wings tested. The data show that airfoil shape has a significant impact on the wing upper surface flow structure and pressure distribution, but has a minimal impact on the integrated upper surface pressure increments.

Conifer ovulate cones accumulate pollen principally by simple impaction

PubMed Central

Cresswell, James E.; Henning, Kevin; Pennel, Christophe; Lahoubi, Mohamed; Patrick, Michael A.; Young, Phillipe G.; Tabor, Gavin R.

2007-01-01

In many pine species (Family Pinaceae), ovulate cones structurally resemble a turbine, which has been widely interpreted as an adaptation for improving pollination by producing complex aerodynamic effects. We tested the turbine interpretation by quantifying patterns of pollen accumulation on ovulate cones in a wind tunnel and by using simulation models based on computational fluid dynamics. We used computer-aided design and computed tomography to create computational fluid dynamics model cones. We studied three species: Pinus radiata, Pinus sylvestris, and Cedrus libani. Irrespective of the approach or species studied, we found no evidence that turbine-like aerodynamics made a significant contribution to pollen accumulation, which instead occurred primarily by simple impaction. Consequently, we suggest alternative adaptive interpretations for the structure of ovulate cones. PMID:17986613

Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks.

PubMed

Rudling, Axel; Orro, Adolfo; Carlsson, Jens

2018-02-26

Water plays a major role in ligand binding and is attracting increasing attention in structure-based drug design. Water molecules can make large contributions to binding affinity by bridging protein-ligand interactions or by being displaced upon complex formation, but these phenomena are challenging to model at the molecular level. Herein, networks of ordered water molecules in protein binding sites were analyzed by clustering of molecular dynamics (MD) simulation trajectories. Locations of ordered waters (hydration sites) were first identified from simulations of high resolution crystal structures of 13 protein-ligand complexes. The MD-derived hydration sites reproduced 73% of the binding site water molecules observed in the crystal structures. If the simulations were repeated without the cocrystallized ligands, a majority (58%) of the crystal waters in the binding sites were still predicted. In addition, comparison of the hydration sites obtained from simulations carried out in the absence of ligands to those identified for the complexes revealed that the networks of ordered water molecules were preserved to a large extent, suggesting that the locations of waters in a protein-ligand interface are mainly dictated by the protein. Analysis of >1000 crystal structures showed that hydration sites bridged protein-ligand interactions in complexes with different ligands, and those with high MD-derived occupancies were more likely to correspond to experimentally observed ordered water molecules. The results demonstrate that ordered water molecules relevant for modeling of protein-ligand complexes can be identified from MD simulations. Our findings could contribute to development of improved methods for structure-based virtual screening and lead optimization.

Glycosylation and Activities of Natural Products.

PubMed

Huang, Gangliang; Lv, Meijiao; Hu, Jinchuan; Huang, Kunlin; Xu, Hong

2016-01-01

Natural products are widely found in nature, their number and variety are numerous, the structures are complex and diverse. These natural products have many physiological and pharmacological activities. Glycosylation can increase the diversity of structure and function of natural product, it has become the focus of drug research and development. The impacts of glycosylation of natural products to water solubility, pharmacological activities, bioavailability, or others were described in this review, which provides a reference for the development and application of glycosylated natural products.

The preservation of the Agoudal impact crater, Morocco, under a landslide: Indication of a genetic link between shatter cones and meteorite fragments

NASA Astrophysics Data System (ADS)

Nachit, Hassane; Abia, El Hassan; Bonadiman, Costanza; Di Martino, Mario; Vaccaro, Carmela

2017-10-01

Geological studies and tomographic profiles of a locality nearby the Agoudal village (Morocco) showed the presence of a single impact crater, 500-600 m diameter, largely hidden by a limestone block, 220 m long and 40 m deep. The site was interpreted as a landslide that followed the fall of a cosmic body. The Agoudal impact crater was not affected by intense erosion. The lack of an evident impact structure, as well as the sporadic distribution of impactites and their limited occurrence, can be explained by a complex geological framework and by recent tectonics. The latter is the result of the sliding of limestone block, which hides almost two-thirds of the crater's depression, and the oblique fall of the meteoroid on sloping ground. In addition, some impact breccia dikes sharply cut the host rock in the Agoudal impact structure. They do not show any genetic relationship with tectonics or hydrothermal activity, nor are they related to any karst or calcrete formations. Altogether, the overlapping of the meteorite strewn field (11 km long and 3 km wide) with the area of occurrence of shatter cones and impact breccias, together with the presence of meteorite fragments (shrapnel) ejected from the crater, the presence of shatter cones contaminated by products of iron meteorites and the presence of impact breccias that contain meteorite fragments of the same chemical composition of the Agoudal meteorite indicate that the fall of this meteorite can be responsible for the formation of the impact structure.

Compliance of secondary production and eco-exergy as indicators of benthic macroinvertebrates assemblages' response to canopy cover conditions in Neotropical headwater streams.

PubMed

Linares, Marden Seabra; Callisto, Marcos; Marques, João Carlos

2018-02-01

Riparian vegetation cover influences benthic assemblages structure and functioning in headwater streams, as it regulates light availability and autochthonous primary production in these ecosystems.Secondary production, diversity, and exergy-based indicators were applied in capturing how riparian cover influences the structure and functioning of benthic macroinvertebrate assemblages in tropical headwater streams. Four hypotheses were tested: (1) open canopy will determine the occurrence of higher diversity in benthic macroinvertebrate assemblages; (2) streams with open canopy will exhibit more complex benthic macroinvertebrate communities (in terms of information embedded in the organisms' biomass); (3) in streams with open canopy benthic macroinvertebrate assemblages will be more efficient in using the available resources to build structure, which will be reflected by higher eco-exergy values; (4) benthic assemblages in streams with open canopy will exhibit more secondary productivity. We selected eight non-impacted headwater streams, four shaded and four with open canopy, all located in the Neotropical savannah (Cerrado) of southeastern Brazil. Open canopy streams consistently exhibited significantly higher eco-exergy and instant secondary production values, exemplifying that these streams may support more complex and productive benthic macroinvertebrate assemblages. Nevertheless, diversity indices and specific eco-exergy were not significantly different in shaded and open canopy streams. Since all the studied streams were selected for being considered as non-impacted, this suggests that the potential represented by more available food resources was not used to build a more complex dissipative structure. These results illustrate the role and importance of the canopy cover characteristics on the structure and functioning of benthic macroinvertebrate assemblages in tropical headwater streams, while autochthonous production appears to play a crucial role as food source for benthic macroinvertebrates. This study also highlights the possible application of thermodynamic based indicators as tools to guide environmental managers in developing and implementing policies in the neotropical savannah. Copyright © 2017 Elsevier B.V. All rights reserved.

Integrated smart panel and support structure response

NASA Astrophysics Data System (ADS)

DeGiorgi, Virginia G.

1998-06-01

The performance of smart structures is a complex interaction between active and passive components. Active components, even when non-activated, can have an impact on structural performance and, conversely, structural characteristics of passive components can have a measurable impact on active component performance. The present work is an evaluation of the structural characteristics of an active panel designed for acoustic quieting. The support structure is included in the panel design as evaluated. Finite element methods are used to determine the active panel-support structure response. Two conditions are considered; a hollow unfilled support structure and the same structure filled with a polymer compound. Finite element models were defined so that stiffness values corresponding to the center of individual pistons could be determined. Superelement techniques were used to define mass and stiffness values representative of the combined active and support structure at the center of each piston. Results of interest obtained from the analysis include mode shapes, natural frequencies, and equivalent spring stuffiness for use in structural response models to represent the support structure. The effects on plate motion on piston performance cannot be obtained from this analysis, however mass and stiffness matrices for use in an integrated system model to determine piston head velocities can be obtained from this work.

Proterozoic Bushveld-Vredefort catastrophe: Possible causes and consequences

NASA Technical Reports Server (NTRS)

Elston, W. E.; Twist, D.

1988-01-01

Bushveld Complex and Vredefort Dome are unique features, formed in close proximity during the same time interval, approximately 2 Ga. Both show evidence of catastrophic events in the shallow marine environment of the otherwise stable Kaapvaal Craton. Explanation by multiple impacts of an asteroid, brecciated by an inter-asteroidal collision and disintegrating in Earth's gravity field is supported by pseudotachylite, shatter cones, coesite, and stishovite at Vredefort but these shock phenomena were not found in the Bushveld Complex. The Bushveld Complex was formerly interpreted as a lopolith, a view incompatible with gravity, electrical resistivity, magnetic, and seismic-reflection data. It is outlined by five inward-dipping lobes of layered ultramafic-mafic plutonic rocks that partly coalesce to form a basin-like feature 400 km in diameter and 65,000 sq. km. in area, equivalent to a small lunar mare. The Bushveld Complex is orders of magnitudes larger than other proposed terrestrial impact structures and differs from them in important ways. Its principal members, in order of age, are Rooiberg Felsite, RLS, and Lebowa Granite. The Bushveld-Vredefort events occurred during the interval from neutral or reducing atmosphere to oxidizing atmosphere. This transition is usually related to the evolution of photosynthesizing organisms. If the impact hypothesis for Bushveld-Vredefort can be confirmed, it may represent a global catastrophe sufficient to contribute to environmental changes favoring aerobic photosynthesizing eukaryotes over anaerobic prokaryotes.

Exopolysaccharide microchannels direct bacterial motility and organize multicellular behavior

DOE PAGES

Berleman, James E.; Zemla, Marcin; Remis, Jonathan P.; ...

2016-05-06

The myxobacteria are a family of soil bacteria that form biofilms of complex architecture, aligned multilayered swarms or fruiting body structures that are simple or branched aggregates containing myxospores. Here, we examined the structural role of matrix exopolysaccharide (EPS) in the organization of these surface-dwelling bacterial cells. Using time-lapse light and fluorescence microscopy, as well as transmission electron microscopy and focused ion beam/scanning electron microscopy (FIB/SEM) electron microscopy, we found that Myxococcus xanthus cell organization in biofilms is dependent on the formation of EPS microchannels. Cells are highly organized within the three-dimensional structure of EPS microchannels that are required formore » cell alignment and advancement on surfaces. Mutants lacking EPS showed a lack of cell orientation and poor colony migration. Purified, cell-free EPS retains a channel-like structure, and can complement EPS - mutant motility defects. In addition, EPS provides the cooperative structure for fruiting body formation in both the simple mounds of M. xanthus and the complex, tree-like structures of Chondromyces crocatus. We furthermore investigated the possibility that EPS impacts community structure as a shared resource facilitating cooperative migration among closely related isolates of M. xanthus.« less

Fluid-structure interaction with the entropic lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Dorschner, B.; Chikatamarla, S. S.; Karlin, I. V.

2018-02-01

We propose a fluid-structure interaction (FSI) scheme using the entropic multi-relaxation time lattice Boltzmann (KBC) model for the fluid domain in combination with a nonlinear finite element solver for the structural part. We show the validity of the proposed scheme for various challenging setups by comparison to literature data. Beyond validation, we extend the KBC model to multiphase flows and couple it with a finite element method (FEM) solver. Robustness and viability of the entropic multi-relaxation time model for complex FSI applications is shown by simulations of droplet impact on elastic superhydrophobic surfaces.

New insight into the ternary complexes of uranyl carbonate in seawater.

PubMed

Beccia, M R; Matara-Aho, M; Reeves, B; Roques, J; Solari, P L; Monfort, M; Moulin, C; Den Auwer, C

2017-11-01

Uranium is naturally present in seawater at trace levels and may in some cases be present at higher concentrations, due to anthropogenic nuclear activities. Understanding uranium speciation in seawater is thus essential for predicting and controlling its behavior in this specific environmental compartment and consequently, its possible impact on living organisms. The carbonato calcic complex Ca 2 UO 2 (CO 3 ) 3 was previously identified as the main uranium species in natural seawater, together with CaUO 2 (CO 3 ) 3 2- . In this work, we further investigate the role of the alkaline earth cation in the structure of the ternary uranyl-carbonate complexes. For this purpose, artificial seawater, free of Mg 2+ and Ca 2+ , using Sr 2+ as a spectroscopic probe was prepared. Combining TRLIF and EXAFS spectroscopy, together with DFT and theoretical thermodynamic calculations, evidence for the presence of Sr alkaline earth counter ion in the complex structure can be asserted. Furthermore, data suggest that when Ca 2+ is replaced by Sr 2+ , SrUO 2 (CO 3 ) 3 2- is the main complex in solution and it occurs with the presence of at least one monodentate carbonate in the uranyl coordination sphere. Copyright © 2017 Elsevier Ltd. All rights reserved.

Spectrally formulated user-defined element in conventional finite element environment for wave motion analysis in 2-D composite structures

NASA Astrophysics Data System (ADS)

Khalili, Ashkan; Jha, Ratneshwar; Samaratunga, Dulip

2016-11-01

Wave propagation analysis in 2-D composite structures is performed efficiently and accurately through the formulation of a User-Defined Element (UEL) based on the wavelet spectral finite element (WSFE) method. The WSFE method is based on the first-order shear deformation theory which yields accurate results for wave motion at high frequencies. The 2-D WSFE model is highly efficient computationally and provides a direct relationship between system input and output in the frequency domain. The UEL is formulated and implemented in Abaqus (commercial finite element software) for wave propagation analysis in 2-D composite structures with complexities. Frequency domain formulation of WSFE leads to complex valued parameters, which are decoupled into real and imaginary parts and presented to Abaqus as real values. The final solution is obtained by forming a complex value using the real number solutions given by Abaqus. Five numerical examples are presented in this article, namely undamaged plate, impacted plate, plate with ply drop, folded plate and plate with stiffener. Wave motions predicted by the developed UEL correlate very well with Abaqus simulations. The results also show that the UEL largely retains computational efficiency of the WSFE method and extends its ability to model complex features.

Effects of Surface-Modified MgO Nanoparticles on Inclusion Characteristics and Microstructure in Carbon Structural Steel

NASA Astrophysics Data System (ADS)

Guo, Hao; Yang, Shufeng; Li, Jingshe; Zhao, Mengjing; Chen, Zhengyang; Zhang, Xueliang; Li, Jikang

2018-05-01

An innovative approach involving chemical modification of the surface of MgO nanoparticles (NPs) for steelmaking and application of NPs to carbon structural steel has been investigated. The results show that the inclusions in the test steels were completely converted to MgAl2O4 spinel or MnS complex inclusions. The mean inclusion size decreased with increasing NP content from 0.01% to 0.03%, but increased at 0.05% because of NP aggregation. Addition of NPs increased the amount of intragranular ferrite and prevented polygonal ferrite formation, thereby enhancing the impact toughness. Impact tests showed that the dimple fractures in steel with 0.05% NP content were deeper than those in the other samples because the MgAl2O4 inclusions were larger. The surface-modified MgO NPs had a major effect on the inclusion characteristics and microstructure of carbon structural steel.

Damping Enhancement of Composite Panels by Inclusion of Shunted Piezoelectric Patches: A Wave-Based Modelling Approach.

PubMed

Chronopoulos, Dimitrios; Collet, Manuel; Ichchou, Mohamed

2015-02-17

The waves propagating within complex smart structures are hereby computed by employing a wave and finite element method. The structures can be of arbitrary layering and of complex geometric characteristics as long as they exhibit two-dimensional periodicity. The piezoelectric coupling phenomena are considered within the finite element formulation. The mass, stiffness and piezoelectric stiffness matrices of the modelled segment can be extracted using a conventional finite element code. The post-processing of these matrices involves the formulation of an eigenproblem whose solutions provide the phase velocities for each wave propagating within the structure and for any chosen direction of propagation. The model is then modified in order to account for a shunted piezoelectric patch connected to the composite structure. The impact of the energy dissipation induced by the shunted circuit on the total damping loss factor of the composite panel is then computed. The influence of the additional mass and stiffness provided by the attached piezoelectric devices on the wave propagation characteristics of the structure is also investigated.

The impact of CRISPR repeat sequence on structures of a Cas6 protein-RNA complex

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

Wang, Ruiying; Zheng, Han; Preamplume, Gan

The repeat-associated mysterious proteins (RAMPs) comprise the most abundant family of proteins involved in prokaryotic immunity against invading genetic elements conferred by the clustered regularly interspaced short palindromic repeat (CRISPR) system. Cas6 is one of the first characterized RAMP proteins and is a key enzyme required for CRISPR RNA maturation. Despite a strong structural homology with other RAMP proteins that bind hairpin RNA, Cas6 distinctly recognizes single-stranded RNA. Previous structural and biochemical studies show that Cas6 captures the 5' end while cleaving the 3' end of the CRISPR RNA. Here, we describe three structures and complementary biochemical analysis of amore » noncatalytic Cas6 homolog from Pyrococcus horikoshii bound to CRISPR repeat RNA of different sequences. Our study confirms the specificity of the Cas6 protein for single-stranded RNA and further reveals the importance of the bases at Positions 5-7 in Cas6-RNA interactions. Substitutions of these bases result in structural changes in the protein-RNA complex including its oligomerization state.« less

Damping Enhancement of Composite Panels by Inclusion of Shunted Piezoelectric Patches: A Wave-Based Modelling Approach

PubMed Central

Chronopoulos, Dimitrios; Collet, Manuel; Ichchou, Mohamed; Shah, Tahir

2015-01-01

The waves propagating within complex smart structures are hereby computed by employing a wave and finite element method. The structures can be of arbitrary layering and of complex geometric characteristics as long as they exhibit two-dimensional periodicity. The piezoelectric coupling phenomena are considered within the finite element formulation. The mass, stiffness and piezoelectric stiffness matrices of the modelled segment can be extracted using a conventional finite element code. The post-processing of these matrices involves the formulation of an eigenproblem whose solutions provide the phase velocities for each wave propagating within the structure and for any chosen direction of propagation. The model is then modified in order to account for a shunted piezoelectric patch connected to the composite structure. The impact of the energy dissipation induced by the shunted circuit on the total damping loss factor of the composite panel is then computed. The influence of the additional mass and stiffness provided by the attached piezoelectric devices on the wave propagation characteristics of the structure is also investigated. PMID:28787972

Measuring forest structure along productivity gradients in the Canadian boreal with small-footprint Lidar.

PubMed

Bolton, Douglas K; Coops, Nicholas C; Wulder, Michael A

2013-08-01

The structure and productivity of boreal forests are key components of the global carbon cycle and impact the resources and habitats available for species. With this research, we characterized the relationship between measurements of forest structure and satellite-derived estimates of gross primary production (GPP) over the Canadian boreal. We acquired stand level indicators of canopy cover, canopy height, and structural complexity from nearly 25,000 km of small-footprint discrete return Light Detection and Ranging (Lidar) data and compared these attributes to GPP estimates derived from the MODerate resolution Imaging Spectroradiometer (MODIS). While limited in our capacity to control for stand age, we removed recently disturbed and managed forests using information on fire history, roads, and anthropogenic change. We found that MODIS GPP was strongly linked to Lidar-derived canopy cover (r = 0.74, p < 0.01), however was only weakly related to Lidar-derived canopy height and structural complexity as these attributes are largely a function of stand age. A relationship was apparent between MODIS GPP and the maximum sampled heights derived from Lidar as growth rates and resource availability likely limit tree height in the prolonged absence of disturbance. The most structurally complex stands, as measured by the coefficient of variation of Lidar return heights, occurred where MODIS GPP was highest as productive boreal stands are expected to contain a wider range of tree heights and transition to uneven-aged structures faster than less productive stands. While MODIS GPP related near-linearly to Lidar-derived canopy cover, the weaker relationships to Lidar-derived canopy height and structural complexity highlight the importance of stand age in determining the structure of boreal forests. We conclude that an improved quantification of how both productivity and disturbance shape stand structure is needed to better understand the current state of boreal forests in Canada and how these forests are changing in response to changing climate and disturbance regimes.

Magnetic Properties of Three Impact Structures in Canada

NASA Astrophysics Data System (ADS)

Scott, R. G.; Pilkington, M.; Tanczyk, E. I.; Grieve, R. A. F.

1995-09-01

Magnetic anomaly lows associated with the West Hawk Lake (Manitoba), Deep Bay (Saskatchewan) and Clearwater Lakes (Quebec) impact structures, are variable in lateral extent and intensity, a characteristic shared with most impact structures [1]. Drill core from the centres of these structures provides a unique opportunity to ground truth the causes of the reduction in magnetic field intensity in impact structures. Magnetic susceptibility and remanent magnetization levels have been found to be well below regional levels in melt rocks, impact breccias, fractured/shocked basement rocks in the central uplifts, and post-impact sediments. Deep Bay, formed in Pre-Cambrian paragneisses, is a complex crater with a submerged central uplift. It has been extensively infilled with non-magnetic black shales of Cretaceous age [2]. An airborne magnetic low of about 100 nT is associated with the Deep Bay structure. Below the shales and along the rim of the structure are highly brecciated country rocks with variable amounts of very fine rock flour. Susceptibility and remanent magnetization are both weak due to extensive alteration in the brecciated rocks. Alteration of the brecciated rocks, and the effect of several hundred meters of non-magnetic sedimentary infill, both contribute to the magnetic low. West Hawk Lake, a simple crater, was excavated in metavolcanic and metasedimentary rocks of the Superior Province [3], and has a ground magnetic low of about 250 nT. As with Deep Bay, West Hawk Lake has been infilled with dominantly non-magnetic sediments. Brecciation and alteration are extensive, with breccia derived from greenschist-facies meta-andesite displaying slightly higher susceptibilities and remanent magnetizations than breccia derived from the more felsic metasediments. Brecciation has effectively randomized magnetization vectors, and subsequent alteration resulted in the destruction of magnetic phases. These two factors contribute to the magnetic low over this structure. The Clearwater Lakes impact structures are two complex craters formed in Archean retrograde granulite facies rocks [4]. Clearwater West, at 36 km diameter, has an annular ring of islands and a shallowly submerged central uplift. Clearwater East, at 26 km diameter, has a more deeply submerged central uplift. The structures are characterised by highly oxidized melt rock and melt- breccia lenses exposed at the surface. Shocked crystalline basement rocks and minor amounts of breccia and melt rock occur in the central uplifts [5]. Despite relatively little alteration at depth, these rocks exhibit both susceptibilities and remanent magnetizations well below the regionally high values. The Clearwater rocks also contain a thermoremanent reversed magnetization, acquired at the time of impact, and characteristic of the Permo-Carboniferous Reversed Polarity Superchron. The magnetization is carried by titanomagnetite in Clearwater West, and both magnetite and pyrrhotite in Clearwater East. This reversed magnetization contributes to the magnetic low, but cannot account for all of it. The intense airborne magnetic low (> 500 nT) requires a significant contribution from the shocked basement at depth, produced by either alteration of magnetic phases along fractures, or reduction in magnetic properties by lower shock levels away from the point of impact [6]. References: [1] Pilkington M. and Grieve R. A. F. (1992) Rev. Geophys., 30, 161-181. [2] Innes M. J. S. et al. (1964) Publ. Dom. Obs. Ottawa, 31, 19-52. [3] Halliday I. and Griffin A. A. (1967) J. Roy. Astron. Soc. Can., 61, 1-8. [4] Simonds C. H. et al. (1978) LPS IX, 2633-2658. [5] Hische R. (1994) Unpublished Ph.D. thesis, Munster. [6] Pohl J. (1994) 3rd Intl. Wkshp., ESF Network Impact Cratering and Evol. of Planet Earth, Shockwave Behavior in Nature and Expt., Progr. Abstr., 51.

Structural Health Monitoring for Impact Damage in Composite Structures.

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

Roach, Dennis P.; Raymond Bond; Doug Adams

Composite structures are increasing in prevalence throughout the aerospace, wind, defense, and transportation industries, but the many advantages of these materials come with unique challenges, particularly in inspecting and repairing these structures. Because composites of- ten undergo sub-surface damage mechanisms which compromise the structure without a clear visual indication, inspection of these components is critical to safely deploying composite re- placements to traditionally metallic structures. Impact damage to composites presents one of the most signi fi cant challenges because the area which is vulnerable to impact damage is generally large and sometimes very dif fi cult to access. This workmore » seeks to further evolve iden- ti fi cation technology by developing a system which can detect the impact load location and magnitude in real time, while giving an assessment of the con fi dence in that estimate. Fur- thermore, we identify ways by which impact damage could be more effectively identi fi ed by leveraging impact load identi fi cation information to better characterize damage. The impact load identi fi cation algorithm was applied to a commercial scale wind turbine blade, and results show the capability to detect impact magnitude and location using a single accelerometer, re- gardless of sensor location. A technique for better evaluating the uncertainty of the impact estimates was developed by quantifying how well the impact force estimate meets the assump- tions underlying the force estimation technique. This uncertainty quanti fi cation technique was found to reduce the 95% con fi dence interval by more than a factor of two for impact force estimates showing the least uncertainty, and widening the 95% con fi dence interval by a fac- tor of two for the most uncertain force estimates, avoiding the possibility of understating the uncertainty associated with these estimates. Linear vibration based damage detection tech- niques were investigated in the context of structural stiffness reductions and impact damage. A method by which the sensitivity to damage could be increased for simple structures was presented, and the challenges of applying that technique to a more complex structure were identi fi ed. The structural dynamic changes in a weak adhesive bond were investigated, and the results showed promise for identifying weak bonds that show little or no static reduction in stiffness. To address these challenges in identifying highly localized impact damage, the possi- bility of detecting damage through nonlinear dynamic characteristics was also identi fi ed, with a proposed technique which would leverage impact location estimates to enable the detection of impact damage. This nonlinear damage identi fi cation concept was evaluated on a composite panel with a substructure disbond, and the results showed that the nonlinear dynamics at the damage site could be observed without a baseline healthy reference. By further developing impact load identi fi cation technology and combining load and damage estimation techniques into an integrated solution, the challenges associated with impact detection in composite struc- tures can be effectively solved, thereby reducing costs, improving safety, and enhancing the operational readiness and availability of high value assets.« less

Changes in spectrochemical and catalytic properties of biopolymer anchored Cu(II) and Ni(II) catalysts by electron beam irradiation.

PubMed

Antony, R; Suja Pon Mini, P S; Theodore David Manickam, S; Sanjeev, Ganesh; Mitu, Liviu; Balakumar, S

2015-01-01

Chitosan (a biopolymer) anchored Cu(II) and Ni(II) Schiff base complexes, [M(OIAC)Cl2] (M: Cu/Ni and OIAC: ([2-oxo-1H-indol-3-ylidene]amino)chitosan) were electron beam irradiated by different doses (100 Gy, 1 kGy and 10 kGy). The electron beam has shown potential impact on biopolymer's support, in detail chain linking and chain scissoring, as evidenced by viscosity studies, FT-IR and X-ray diffraction spectroscopic techniques. Due to these structural changes, thermal properties of the complexes were found to be changed. The surface of these heterogeneous complexes was also effectually altered by electron beam. As a consequence, pores and holes were created as probed by SEM technique. The catalytic activity of both non-irradiated and irradiated complexes was investigated in the aerobic oxidation of cyclohexane using hydrogen peroxide oxidant. The catalytic ability of the complexes was enhanced significantly after irradiation as the result of surface changes. The reusability of the complexes was also greatly affected because of the structural variations in polymeric support. In terms of both better catalytic activity along with the reusability, 1 kGy is suggested as the best dose to attain adequate increase in catalytic activity and good reusability. Copyright © 2015 Elsevier B.V. All rights reserved.

The Shock and Vibration Bulletin. Part 1. Summaries of Presented Papers

DTIC Science & Technology

1974-10-01

15 S. Smith, R. C. Stroud, G. A. Hamma, W. L. Hallaver, R. C. Yee MODALAB-A NEW SYSTEM FOR STRUCTURAL DYNAMIC TESTING, II, ANALYSIS ...PV -A ........................................................... 33 A. Burkhard and R. Scott ANALYSIS AND FLIGHT TEST CORRELATION OF VIBROACOUSTIC...METHODS FOR THE ANALYSIS OF ELASTICALLY SUPPORTED ISOLATION SYSTEMS ............................................. 41 G. L. Fox IMPACT ON COMPLEX

Web Site On a Budget: How to Find an Affordable Home for Your Pages.

ERIC Educational Resources Information Center

Callihan, Steven E.

1996-01-01

Offers advice for choosing an Internet provider: consider the amount of time, effort, and expertise one has, coupled with the complexity of the Web page, which impact price and choice of provider; and question providers about server speed, ports, architecture, traffic levels, fee structures, and registration of domain names. Lists 33 Web presence…

Assessing the Link between Executive Functions and Aggressive Behaviours of Children Who Are Deaf: Impact of Early Special Education

ERIC Educational Resources Information Center

Sipal, Rafet Firat; Bayhan, Pinar

2010-01-01

Introduction: Relation between constructing complex mental structures and language skills cause delays in development of executive functions of deaf children. When the importance of language skills in development of executive functions and frequency of aggressive behaviours of deaf children are considered, investigation of executive functions of…

Future wildfire trends, impacts, and mitigation options in the Southern United States

Treesearch

Yongqiang Liu; Jeffrey P. Prestemon; Scott L. Goodrick; Thomas P. Holmes; John A. Stanturf; James M. Vose; Ge Sun

2014-01-01

Wildfire is among the most common forest disturbances, affecting the structure, composition, and functions of many ecosystems. The complex role that wildfire plays in shaping forests has been described in terms of vegetation responses, which are characterized as dependent on, sensitive to, independent of, or influenced by fire (Myers 2006). Fire is essential in areas...

Long-term impacts of variable retention harvesting on ground-layer plant communities in Pinus resinosa forests

Treesearch

Margaret W. Roberts; Anthony W. D' Amato; Christel C. Kern; Brian J. Palik; Lorenzo Marini

2016-01-01

Concerns about loss of biodiversity and structural complexity in managed forests have recently increased and led to the development of new management strategies focused on restoring or maintaining ecosystem functions while also providing wood outputs. Variable retention harvest (VRH) systems, in which mature overstorey trees are retained in various spatial arrangements...

Deleuze, Action Research and Rhizomatic Growth

ERIC Educational Resources Information Center

Amorim, Antonio Carlos; Ryan, Charly

2005-01-01

Deleuze and his colleagues, particularly Guattari, have had a profound impact on a number of fields of study. The authors argue that their work offers a range of images to help think about and write action research, a way that acknowledges and celebrates the complexities of the sites of action. The article has a divided structure, coherent with…

Professional Motivation Formation of Future Specialists under the Conditions of Regional Educational Complex

ERIC Educational Resources Information Center

Kargina, Elena Mikhaylovna

2015-01-01

Motivation plays the leading role in the organization of the personality structure. It is a driving force of the activity. Motivation accounts for the behavior and activity and has a great impact on professional self-determination and person's satisfaction with the work. The problem of professional motivation formation of a future specialist is…

The impact of economic complexity on carbon emissions: evidence from France.

PubMed

Can, Muhlis; Gozgor, Giray

2017-07-01

This paper reanalyzes the determinants of the CO 2 emissions in France. For this purpose, it considers the unit root test with two structural breaks and a dynamic ordinary least squares estimation. The paper also considers the effects of the energy consumption and the economic complexity on CO 2 emissions. First, it is observed that the EKC hypothesis is valid in France. Second, the positive effect of the energy consumption on CO 2 emissions is obtained. Third, it is observed that a higher economic complexity suppresses the level of CO 2 emissions in the long run. The findings imply noteworthy environmental policy implications to decrease the level of CO 2 emissions in France.

Accounting for Population Structure in Gene-by-Environment Interactions in Genome-Wide Association Studies Using Mixed Models.

PubMed

Sul, Jae Hoon; Bilow, Michael; Yang, Wen-Yun; Kostem, Emrah; Furlotte, Nick; He, Dan; Eskin, Eleazar

2016-03-01

Although genome-wide association studies (GWASs) have discovered numerous novel genetic variants associated with many complex traits and diseases, those genetic variants typically explain only a small fraction of phenotypic variance. Factors that account for phenotypic variance include environmental factors and gene-by-environment interactions (GEIs). Recently, several studies have conducted genome-wide gene-by-environment association analyses and demonstrated important roles of GEIs in complex traits. One of the main challenges in these association studies is to control effects of population structure that may cause spurious associations. Many studies have analyzed how population structure influences statistics of genetic variants and developed several statistical approaches to correct for population structure. However, the impact of population structure on GEI statistics in GWASs has not been extensively studied and nor have there been methods designed to correct for population structure on GEI statistics. In this paper, we show both analytically and empirically that population structure may cause spurious GEIs and use both simulation and two GWAS datasets to support our finding. We propose a statistical approach based on mixed models to account for population structure on GEI statistics. We find that our approach effectively controls population structure on statistics for GEIs as well as for genetic variants.

The complex impact of risk and protective factors on suicide mortality: a study of the Ukrainian general population.

PubMed

Yur'yev, Andriy; Yur'yeva, Lyudmyla; Värnik, Peeter; Lumiste, Kaur; Värnik, Airi

2015-01-01

This study assesses the complex impact of risk and protective factors on suicide mortality in the Ukrainian general population. Data on suicide rates and socioeconomic and medical factors were obtained from the Ukrainian State Statistical Office, WHO, and the European Social Survey. Structural equation modeling was used for data analysis. Religion and education were negatively associated with suicide. The relationship between drug addiction/alcoholism and suicide was positive. The association between urbanization and suicide mortality was negative. The relationship between gross regional product (GRP) and female suicide was slightly negative. Religiosity was the protective factor most strongly linked with suicide mortality followed by urbanization. The harmful role of drug addiction and alcoholism was confirmed. The role of education and GRP is controversial. No striking gender differences were found.

Geology of the Upheaval Dome impact structure, southeast Utah

USGS Publications Warehouse

Kriens, B.J.; Shoemaker, E.M.; Herkenhoff, K. E.

1999-01-01

Two vastly different phenomena, impact and salt diapirism, have been proposed for the origin of Upheaval Dome, a spectacular scenic feature in southeast Utah. Detailed geologic mapping and seismic refraction data indicate that the dome originated by collapse of a transient cavity formed by impact. Evidence is as follows: (1) sedimentary strata in the center of the structure are pervasively imbricated by top-toward-the-center thrust faulting and are complexly folded as well; (2) top-toward-the-center normal faults are found at the perimeter of the structure; (3) clastic dikes are widespread; (4) the top of the underlying salt horizon is at least 500 m below the surface at the center of the dome, and there are no exposures of salt or associated rocks of the Paradox Formation in the dome to support the possibility that a salt diapir has ascended through it; and (5) planar microstructures in quartz grains, fantailed fracture surfaces (shatter surfaces), and rare shatter cones are present near the center of the structure. We show that the dome formed mainly by centerward motion of rock units along listric faults. Outcrop-scale folding and upturning of beds, especially common in the center, are largely a consequence of this motion. We have also detected some centerward motion of fault-bounded wedges resulting from displacements on subhorizontal faults that conjoin and die out within horizontal bedding near the perimeter of the structure. The observed deformation corresponds to the central uplift and the encircling ring structural depression seen in complex impact craters. Copyright 1999 by the American Geophysical Union.

All-atom molecular dynamics simulation of a photosystem I/detergent complex

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

Harris, Bradley J.; Cheng, Xiaolin; Frymier, Paul

2014-09-18

All-atom molecular dynamics (MD) simulation was used to investigate the solution structure and dynamics of the photosynthetic pigment protein complex photosystem I (PSI) from Thermosynechococcus elongatus embedded in a toroidal belt of n-dodecyl-β-d-maltoside (DDM) detergent. Evaluation of root-mean-square deviations (RMSDs) relative to the known crystal structure show that the protein complex surrounded by DDM molecules is stable during the 200 ns simulation time, and root-mean-square fluctuation (RMSF) analysis indicates that regions of high local mobility correspond to solvent-exposed regions such as turns in the transmembrane α-helices and flexible loops on the stromal and lumenal faces. Comparing the protein detergent complexmore » to a pure detergent micelle, the detergent surrounding the PSI trimer is found to be less densely packed but with more ordered detergent tails, contrary to what is seen in most lipid bilayer models. We also investigated any functional implications for the observed conformational dynamics and protein detergent interactions, discovering interesting structural changes in the psaL subunits associated with maintaining the trimeric structure of the protein. Moreover, we find that the docking of soluble electron mediators such as cytochrome c 6 and ferredoxin to PSI is not significantly impacted by the solubilization of PSI in detergent.« less

Covalent Bonding of Chlorogenic Acid Induces Structural Modifications on Sunflower Proteins.

PubMed

Karefyllakis, Dimitris; Salakou, Stavroula; Bitter, J Harry; van der Goot, Atze J; Nikiforidis, Constantinos V

2018-02-19

Proteins and phenols coexist in the confined space of plant cells leading to reactions between them, which result in new covalently bonded complex molecules. This kind of reactions has been widely observed during storage and processing of plant materials. However, the nature of the new complex molecules and their physicochemical properties are largely unknown. Therefore, we investigated the structural characteristics of covalently bonded complexes between sunflower protein isolate (SFPI, protein content 85 wt %) and the dominant phenol in the confined space of a sunflower seed cell (chlorogenic acid, CGA). It was shown that the efficiency of bond formation goes through a maximum as a function of the SFPI:CGA ratio. Moreover, the bonding of CGA with proteins resulted in changes in the secondary and tertiary structure of the protein. It was also shown that the phenol bound strongly to the protein, which resulted in new crosslinks between the polypeptide chains. As a result, secondary structures like α-helices and β-sheets diminished, which in turn resulted in more disordered domains and a subsequent modification of the tertiary structure of the proteins. These findings are relevant for establishing future protocols for extraction of high-quality proteins and phenols when utilizing plant material and offer insight into the impact of processing that these ingredients endure. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A benchmark testing ground for integrating homology modeling and protein docking.

PubMed

Bohnuud, Tanggis; Luo, Lingqi; Wodak, Shoshana J; Bonvin, Alexandre M J J; Weng, Zhiping; Vajda, Sandor; Schueler-Furman, Ora; Kozakov, Dima

2017-01-01

Protein docking procedures carry out the task of predicting the structure of a protein-protein complex starting from the known structures of the individual protein components. More often than not, however, the structure of one or both components is not known, but can be derived by homology modeling on the basis of known structures of related proteins deposited in the Protein Data Bank (PDB). Thus, the problem is to develop methods that optimally integrate homology modeling and docking with the goal of predicting the structure of a complex directly from the amino acid sequences of its component proteins. One possibility is to use the best available homology modeling and docking methods. However, the models built for the individual subunits often differ to a significant degree from the bound conformation in the complex, often much more so than the differences observed between free and bound structures of the same protein, and therefore additional conformational adjustments, both at the backbone and side chain levels need to be modeled to achieve an accurate docking prediction. In particular, even homology models of overall good accuracy frequently include localized errors that unfavorably impact docking results. The predicted reliability of the different regions in the model can also serve as a useful input for the docking calculations. Here we present a benchmark dataset that should help to explore and solve combined modeling and docking problems. This dataset comprises a subset of the experimentally solved 'target' complexes from the widely used Docking Benchmark from the Weng Lab (excluding antibody-antigen complexes). This subset is extended to include the structures from the PDB related to those of the individual components of each complex, and hence represent potential templates for investigating and benchmarking integrated homology modeling and docking approaches. Template sets can be dynamically customized by specifying ranges in sequence similarity and in PDB release dates, or using other filtering options, such as excluding sets of specific structures from the template list. Multiple sequence alignments, as well as structural alignments of the templates to their corresponding subunits in the target are also provided. The resource is accessible online or can be downloaded at http://cluspro.org/benchmark, and is updated on a weekly basis in synchrony with new PDB releases. Proteins 2016; 85:10-16. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Towards a landscape scale management of pesticides: ERA using changes in modelled occupancy and abundance to assess long-term population impacts of pesticides.

PubMed

Topping, Chris J; Craig, Peter S; de Jong, Frank; Klein, Michael; Laskowski, Ryszard; Manachini, Barbara; Pieper, Silvia; Smith, Rob; Sousa, José Paulo; Streissl, Franz; Swarowsky, Klaus; Tiktak, Aaldrik; van der Linden, Ton

2015-12-15

Pesticides are regulated in Europe and this process includes an environmental risk assessment (ERA) for non-target arthropods (NTA). Traditionally a non-spatial or field trial assessment is used. In this study we exemplify the introduction of a spatial context to the ERA as well as suggest a way in which the results of complex models, necessary for proper inclusion of spatial aspects in the ERA, can be presented and evaluated easily using abundance and occupancy ratios (AOR). We used an agent-based simulation system and an existing model for a widespread carabid beetle (Bembidion lampros), to evaluate the impact of a fictitious highly-toxic pesticide on population density and the distribution of beetles in time and space. Landscape structure and field margin management were evaluated by comparing scenario-based ERAs for the beetle. Source-sink dynamics led to an off-crop impact even when no pesticide was present off-crop. In addition, the impacts increased with multi-year application of the pesticide whereas current ERA considers only maximally one year. These results further indicated a complex interaction between landscape structure and pesticide effect in time, both in-crop and off-crop, indicating the need for NTA ERA to be conducted at landscape- and multi-season temporal-scales. Use of AOR indices to compare ERA outputs facilitated easy comparison of scenarios, allowing simultaneous evaluation of impacts and planning of mitigation measures. The landscape and population ERA approach also demonstrates that there is a potential to change from regulation of a pesticide in isolation, towards the consideration of pesticide management at landscape scales and provision of biodiversity benefits via inclusion and testing of mitigation measures in authorisation procedures. Copyright © 2015 Elsevier B.V. All rights reserved.

The Impact of Tropical Peat Fire on Termite Assemblage in Sumatra, Indonesia: Reduced Complexity of Community Structure and Survival Strategies.

PubMed

Neoh, Kok-Boon; Bong, Lee-Jin; Muhammad, Ahmad; Itoh, Masayuki; Kozan, Osamu; Takematsu, Yoko; Yoshimura, Tsuyoshi

2016-10-01

Tropical peat swamp forests in Southeast Asia account for approximately 72% of global peatland. However, extensive forest exploitation following peat drainage for agricultural expansion has been leading to catastrophic peat fires. In this study, we compared the termite assemblage in burnt and unburnt peats in Sumatra, Indonesia. We also identified which taxonomic group is particularly resistant to fire disturbance and the traits that correlate with its persistence in fire-impacted peatlands. Overall, the termite species richness in fire-impacted peats was up to 40% lower than that of the total species found in peat swamp forests. Although the estimated species richness values in fire-impacted peats and peat swamp forests were not significantly different, fire changed termite community structure significantly. Only termites of the family Rhinotermitidae survived in the fire event, whereas members of the Termitidae that were reportedly resilient to fire and open habitats elsewhere disappeared during the fire events. The rhinotermitids found in the burnt sites were exclusively wood nesters. This suggests that the desiccation tolerance of termites in open habitat is not the simple underlying survival strategy, but tree branches and barks might have provided a refuge from heat during fire. The result also suggests that the high similarity in species composition in recently burnt peats and long burnt peats implies low species turnover. Thus, regardless of how much time had passed since the fire-impacted peats were abandoned or cultivated, the increase in habitat complexity did not favor colonization by the forest-dependent group. © The Authors 2016. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

X-ray free electron laser: opportunities for drug discovery.

PubMed

Cheng, Robert K Y; Abela, Rafael; Hennig, Michael

2017-11-08

Past decades have shown the impact of structural information derived from complexes of drug candidates with their protein targets to facilitate the discovery of safe and effective medicines. Despite recent developments in single particle cryo-electron microscopy, X-ray crystallography has been the main method to derive structural information. The unique properties of X-ray free electron laser (XFEL) with unmet peak brilliance and beam focus allow X-ray diffraction data recording and successful structure determination from smaller and weaker diffracting crystals shortening timelines in crystal optimization. To further capitalize on the XFEL advantage, innovations in crystal sample delivery for the X-ray experiment, data collection and processing methods are required. This development was a key contributor to serial crystallography allowing structure determination at room temperature yielding physiologically more relevant structures. Adding the time resolution provided by the femtosecond X-ray pulse will enable monitoring and capturing of dynamic processes of ligand binding and associated conformational changes with great impact to the design of candidate drug compounds. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

First Principles Based Simulation of Reaction-Induced Phase Transition in Hydrogen Storage and Other Materials

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

Ge, Qingfeng

2014-08-31

This major part of this proposal is simulating hydrogen interactions in the complex metal hydrides. Over the period of DOE BES support, key achievements include (i) Predicted TiAl 3Hx as a precursor state for forming TiAl 3 through analyzing the Ti-doped NaAlH 4 and demonstrated its catalytic role for hydrogen release; (ii) Explored the possibility of forming similar complex structures with other 3d transition metals in NaAlH 4 as well as the impact of such complex structures on hydrogen release/uptake; (iii) Demonstrated the role of TiAl 3 in hydriding process; (iv) Predicted a new phase of NaAlH 4 that linksmore » to Na3AlH6 using first-principles metadynamics; (v) Examined support effect on hydrogen release from supported/encapsulated NaAlH 4; and (vi) Expanded research scope beyond hydrogen storage. The success of our research is documented by the peer-reviewed publications.« less

Lunar crater volumes - Interpretation by models of impact cratering and upper crustal structure

NASA Technical Reports Server (NTRS)

Croft, S. K.

1978-01-01

Lunar crater volumes can be divided by size into two general classes with distinctly different functional dependence on diameter. Craters smaller than approximately 12 km in diameter are morphologically simple and increase in volume as the cube of the diameter, while craters larger than about 20 km are complex and increase in volume at a significantly lower rate implying shallowing. Ejecta and interior volumes are not identical and their ratio, Schroeters Ratio (SR), increases from about 0.5 for simple craters to about 1.5 for complex craters. The excess of ejecta volume causing the increase, can be accounted for by a discontinuity in lunar crust porosity at 1.5-2 km depth. The diameter range of significant increase in SR corresponds with the diameter range of transition from simple to complex crater morphology. This observation, combined with theoretical rebound calculation, indicates control of the transition diameter by the porosity structure of the upper crust.

Peptide Modulation of Class I Major Histocompatibility Complex Protein Molecular Flexibility and the Implications for Immune Recognition*

PubMed Central

Hawse, William F.; Gloor, Brian E.; Ayres, Cory M.; Kho, Kevin; Nuter, Elizabeth; Baker, Brian M.

2013-01-01

T cells use the αβ T cell receptor (TCR) to recognize antigenic peptides presented by class I major histocompatibility complex proteins (pMHCs) on the surfaces of antigen-presenting cells. Flexibility in both TCRs and peptides plays an important role in antigen recognition and discrimination. Less clear is the role of flexibility in the MHC protein; although recent observations have indicated that mobility in the MHC can impact TCR recognition in a peptide-dependent fashion, the extent of this behavior is unknown. Here, using hydrogen/deuterium exchange, fluorescence anisotropy, and structural analyses, we show that the flexibility of the peptide binding groove of the class I MHC protein HLA-A*0201 varies significantly with different peptides. The variations extend throughout the binding groove, impacting regions contacted by TCRs as well as other activating and inhibitory receptors of the immune system. Our results are consistent with statistical mechanical models of protein structure and dynamics, in which the binding of different peptides alters the populations and exchange kinetics of substates in the MHC conformational ensemble. Altered MHC flexibility will influence receptor engagement, impacting conformational adaptations, entropic penalties associated with receptor recognition, and the populations of binding-competent states. Our results highlight a previously unrecognized aspect of the “altered self” mechanism of immune recognition and have implications for specificity, cross-reactivity, and antigenicity in cellular immunity. PMID:23836912

Healthy coral reefs may assure coastal protection in face of climate change related sea level rise

NASA Astrophysics Data System (ADS)

Harris, D. L.; Rovere, A.; Parravicini, V.; Casella, E.; Canavesio, R.; Collin, A.

2016-12-01

Coral reefs are diverse ecosystems that support millions of people worldwide providing crucial services, of which, coastal protection is one of the most relevant. The efficiency of coral reefs in protecting coastlines and dissipating waves is directly linked to the cover of living corals and three dimensional reef structural complexity. Climate change and human impacts are leading to severe global reductions in live coral cover, posing serious concerns regarding the capacity of degraded reef systems in protecting tropical coastal regions. Although it is known that the loss of structurally complex reefs may lead to greater erosion of coastlines, this process has rarely been quantified and it is still unknown whether the maintenance of healthy reefs through conservation will be enough to guarantee coastal protection during rising sea levels. We show that a significant loss of wave dissipation and a subsequent increase in back-reef wave height (up to 5 times present wave height) could occur even at present sea level if living corals are lost and reef structural complexity is reduced. Yet we also show that healthy reefs, measured by structural complexity and efficiency of vertical reef accretion, may maintain their present capacity of wave dissipation even under rising sea levels. Our results indicate that the health of coral reefs and not sea level rise will be the major determinant of the coastal protection services provided by coral reefs and calls for investments into coral reef conservation to ensure the future protection of tropical coastal communities.

STARS experiential group intervention: a complex trauma treatment approach for survivors of human trafficking.

PubMed

Hopper, Elizabeth K; Azar, Naomi; Bhattacharyya, Sriya; Malebranche, Dominique A; Brennan, Kelsey E

2018-01-01

This is the abstract that was submitted online with the paper: Despite the fact that many survivors of human trafficking have experienced complex trauma, there are no established interventions designed to specifically address these impacts. Leaders in the field of complex trauma have advocated for the need for somatic approaches to intervention. This paper presents STARS Experiential Group treatment, the first structured bodybased group intervention that has been designed to address complex trauma in survivors of human trafficking. Three pilot groups were run in residential settings with adolescent and adult survivors of sex trafficking. Two adaptations were utilized, with one focusing on application of expressive arts modalities and the other incorporating theater games. Qualitative results, using thematic analysis, identified several themes related to challenges and potential benefits of these groups. Potential benefits of the STARS groups were found in the areas of Interpersonal Relationships, Regulation, and Self/ Identity, with fourteen sub-themes further describing positive impacts. Challenges within these areas are explored, to inform the development of group interventions for trafficking survivors. The results of this paper suggest that experiential, somatically-oriented group treatment shows promise as an important element of holistic intervention with trafficking survivors.

Computational simulations assessment of mutations impact on streptokinase (SK) from a group G streptococci with enhanced activity - insights into the functional roles of structural dynamics flexibility of SK and stabilization of SK-μplasmin catalytic complex.

PubMed

Kazemi, Faegheh; Arab, Seyed Shahriar; Mohajel, Nasir; Keramati, Malihe; Niknam, Niloofar; Aslani, Mohammad Mehdi; Roohvand, Farzin

2018-05-28

Streptokinase (SK), a plasminogen activator (PA) that converts inactive plasminogen (Pg) to plasmin (Pm), is a protein secreted by groups A, C, and G streptococci (GAS, GCS, and GGS, respectively), with high sequence divergence and functional heterogeneity. While roles of some residual changes in altered SK functionality are shown, the underlying structural mechanisms are less known. Herein, using computational approaches, we analyzed the conformational basis for the increased activity of SK from a GGS (SKG132) isolate with four natural residual substitutions (Ile33Phe, Arg45Gln, Asn228Lys, Phe287Ile) compared to the standard GCS (SKC). Using the crystal structure of SK.Pm catalytic complex as main template SKC.μPm catalytic complex was modeled through homology modeling process and validated by several online validation servers. Subsequently, SKG132.μPm structure was constructed by altering the corresponding residual substitutions. Results of three independent MD simulations showed increased RMSF values for SKG132.μPm, indicating the enhanced structural flexibility compared to SKC.μPm, specially in 170 and 250 loops and three regions: R1 (149-161), R2 (182-215) and R3 (224-229). In parallel, the average number of Hydrogen bonds in 170 loop, R2 and R3 (especially for Asn228Lys) of SKG132 compared to that of the SKC was decreased. Accordingly, residue interaction networks (RINs) analyses indicated that Asn228Lys might induce more level of structural flexibility by generation of free Lys256, while Phe287Ile and Ile33Phe enhanced the stabilization of the SKG132.μPm catalytic complex. These results denoted the potential role of the optimal dynamic state and stabilized catalytic complex for increased PA potencies of SK as a thrombolytic drug.

Development of an ultrasonic nondestructive inspection method for impact damage detection in composite aircraft structures

NASA Astrophysics Data System (ADS)

Capriotti, M.; Kim, H. E.; Lanza di Scalea, F.; Kim, H.

2017-04-01

High Energy Wide Area Blunt Impact (HEWABI) due to ground service equipment can often occur in aircraft structures causing major damages. These Wide Area Impact Damages (WAID) can affect the internal components of the structure, hence are usually not visible nor detectable by typical one-sided NDE techniques and can easily compromise the structural safety of the aircraft. In this study, the development of an NDI method is presented together with its application to impacted aircraft frames. The HEWABI from a typical ground service scenario has been previously tested and the desired type of damages have been generated, so that the aircraft panels could become representative study cases. The need of the aircraft industry for a rapid, ramp-friendly system to detect such WAID is here approached with guided ultrasonic waves (GUW) and a scanning tool that accesses the whole structure from the exterior side only. The wide coverage of the specimen provided by GUW has been coupled to a differential detection approach and is aided by an outlier statistical analysis to be able to inspect and detect faults in the challenging composite material and complex structure. The results will be presented and discussed with respect to the detection capability of the system and its response to the different damage types. Receiving Operating Characteristics curves (ROC) are also produced to quantify and assess the performance of the proposed method. Ongoing work is currently aimed at the penetration of the inner components of the structure, such as shear ties and C-frames, exploiting different frequency ranges and signal processing techniques. From the hardware and tool development side, different transducers and coupling methods, such as air-coupled transducers, are under investigation together with the design of a more suitable scanning technique.

Fabrication and Testing of Durable Redundant and Fluted-Core Joints for Composite Sandwich Structures

NASA Technical Reports Server (NTRS)

Lin, Shih-Yung; Splinter, Scott C.; Tarkenton, Chris; Paddock, David A.; Smeltzer, Stanley S.; Ghose, Sayata; Guzman, Juan C.; Stukus, Donald J.; McCarville, Douglas A.

2013-01-01

The development of durable bonded joint technology for assembling composite structures is an essential component of future space technologies. While NASA is working toward providing an entirely new capability for human space exploration beyond low Earth orbit, the objective of this project is to design, fabricate, analyze, and test a NASA patented durable redundant joint (DRJ) and a NASA/Boeing co-designed fluted-core joint (FCJ). The potential applications include a wide range of sandwich structures for NASA's future launch vehicles. Three types of joints were studied -- splice joint (SJ, as baseline), DRJ, and FCJ. Tests included tension, after-impact tension, and compression. Teflon strips were used at the joint area to increase failure strength by shifting stress concentration to a less sensitive area. Test results were compared to those of pristine coupons fabricated utilizing the same methods. Tensile test results indicated that the DRJ design was stiffer, stronger, and more impact resistant than other designs. The drawbacks of the DRJ design were extra mass and complex fabrication processes. The FCJ was lighter than the DRJ but less impact resistant. With barely visible but detectable impact damages, all three joints showed no sign of tensile strength reduction. No compression test was conducted on any impact-damaged sample due to limited scope and resource. Failure modes and damage propagation were also studied to support progressive damage modeling of the SJ and the DRJ.

Simulating Fire Disturbance and Plant Mortality Using Antecedent Eco-hydrological Conditions to Inform a Physically Based Combustion Model

NASA Astrophysics Data System (ADS)

Atchley, A. L.; Linn, R.; Middleton, R. S.; Runde, I.; Coon, E.; Michaletz, S. T.

2016-12-01

Wildfire is a complex agent of change that both affects and depends on eco-hydrological systems, thereby constituting a tightly linked system of disturbances and eco-hydrological conditions. For example, structure, build-up, and moisture content of fuel are dependent on eco-hydrological regimes, which impacts fire spread and intensity. Fire behavior, on the other hand, determines the severity and extent of eco-hydrological disturbance, often resulting in a mosaic of untouched, stressed, damaged, or completely destroyed vegetation within the fire perimeter. This in turn drives new eco-hydrological system behavior. The cycles of disturbance and recovery present a complex evolving system with many unknowns especially in the face of climate change that has implications for fire risk, water supply, and forest composition. Physically-based numerical experiments that attempt to capture the complex linkages between eco-hydrological regimes that affect fire behavior and the echo-hydrological response from those fire disturbances help build the understanding required to project how fire disturbance and eco-hydrological conditions coevolve over time. Here we explore the use of FIRETEC—a physically-based 3D combustion model that solves conservation of mass, momentum, energy, and chemical species—to resolve fire spread over complex terrain and fuel structures. Uniquely, we couple a physically-based plant mortality model with FIRETEC and examine the resultant hydrologic impact. In this proof of concept demonstration we spatially distribute fuel structure and moisture content based on the eco-hydrological condition to use as input for FIRETEC. The fire behavior simulation then produces localized burn severity and heat injures which are used as input to a spatially-informed plant mortality model. Ultimately we demonstrate the applicability of physically-based models to explore integrated disturbance and eco-hydrologic response to wildfire behavior and specifically map how fire spread and intensity is affect by the antecedent eco-hydrological condition, which then affects the resulting tree mortality patterns.

Barcoding Human Physical Activity to Assess Chronic Pain Conditions

PubMed Central

Paraschiv-Ionescu, Anisoara; Perruchoud, Christophe; Buchser, Eric; Aminian, Kamiar

2012-01-01

Background Modern theories define chronic pain as a multidimensional experience – the result of complex interplay between physiological and psychological factors with significant impact on patients' physical, emotional and social functioning. The development of reliable assessment tools capable of capturing the multidimensional impact of chronic pain has challenged the medical community for decades. A number of validated tools are currently used in clinical practice however they all rely on self-reporting and are therefore inherently subjective. In this study we show that a comprehensive analysis of physical activity (PA) under real life conditions may capture behavioral aspects that may reflect physical and emotional functioning. Methodology PA was monitored during five consecutive days in 60 chronic pain patients and 15 pain-free healthy subjects. To analyze the various aspects of pain-related activity behaviors we defined the concept of PA ‘barcoding’. The main idea was to combine different features of PA (type, intensity, duration) to define various PA states. The temporal sequence of different states was visualized as a ‘barcode’ which indicated that significant information about daily activity can be contained in the amount and variety of PA states, and in the temporal structure of sequence. This information was quantified using complementary measures such as structural complexity metrics (information and sample entropy, Lempel-Ziv complexity), time spent in PA states, and two composite scores, which integrate all measures. The reliability of these measures to characterize chronic pain conditions was assessed by comparing groups of subjects with clinically different pain intensity. Conclusion The defined measures of PA showed good discriminative features. The results suggest that significant information about pain-related functional limitations is captured by the structural complexity of PA barcodes, which decreases when the intensity of pain increases. We conclude that a comprehensive analysis of daily-life PA can provide an objective appraisal of the intensity of pain. PMID:22384191

Longitudinal differences in habitat complexity and fish assemblage structure of a great plains river

USGS Publications Warehouse

Eitzmann, J.L.; Paukert, C.P.

2010-01-01

We investigated the spatial variation in the Kansas River (USA) fish assemblage to determine how fish community structure changes with habitat complexity in a large river. Fishes were collected at ten sites throughout the Kansas River for assessing assemblage structure in summer 2007. Aerial imagery indicated riparian land use within 200 m from the river edge was dominated by agriculture in the upper river reaches (>35) and tended to increase in urban land use in the lower reaches (>58). Instream habitat complexity (number of braided channels, islands) also decreased with increased urban area (<25). Canonical correspondence analysis indicated that species that prefer high-velocity flows and sandy substrate (e.g., blue sucker Cycleptus elongatus and shovelnose sturgeon Scaphirhynchus platorynchus) were associated with the upper river reaches. Abundance of omnivorous and planktivorous fish species were also higher in the lower river. The presence of fluvial dependent and fluvial specialist species was associated with sites with higher water flows, more sand bars, and log jams. Our results suggest that conserving intolerant, native species in the Kansas River may require maintaining suitable habitat for these species and restoration of impacted areas of the river.

Crash simulation of UNS electric vehicle under frontal front impact

NASA Astrophysics Data System (ADS)

Susilo, D. D.; Lukamana, N. I.; Budiana, E. P.; Tjahjana, D. D. D. P.

2016-03-01

Sebelas Maret University has been developing an Electric Vehicle namely SmarT-EV UNS. The main structure of the car are chasis and body. The chasis is made from steel and the body is made from fiberglass composite. To ensure the safety of the car, both static and dynamic tests were carried out to these structures, including their materials, like: tensile test, bending test, and impact test. Another test needed by this vehicle is crashworthiness test. To perform the test, it is needed complex equipments and it is quite expensive. Another way to obtain vehicle crashworthiness behaviour is by simulate it. The purpose of this study was to simulate the response of the Smart-EV UNS electric vehicle main structure when crashing rigid barrier from the front. The crash simulation was done in according to the NHTSA (National Highway Traffic Safety Administration) within the speed of the vehicle of 35 mph. The UNS Electric Vehicle was modelled using SolidWorks software, and the simulation process was done by finite element method using ANSYS software. The simulation result showed that the most internal impact energy was absorbed by chassis part. It absorbed 76.2% of impact energy, then the base absorbed 11.3 %, while the front body absorbed 2.5 %, and the rest was absorbed by fender, hood, and other parts.

Impact Testing and Simulation of Composite Airframe Structures

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Littell, Justin D.; Horta, Lucas G.; Annett, Martin S.; Fasanella, Edwin L.; Seal, Michael D., II

2014-01-01

Dynamic tests were performed at NASA Langley Research Center on composite airframe structural components of increasing complexity to evaluate their energy absorption behavior when subjected to impact loading. A second objective was to assess the capabilities of predicting the dynamic response of composite airframe structures, including damage initiation and progression, using a state-of-the-art nonlinear, explicit transient dynamic finite element code, LS-DYNA. The test specimens were extracted from a previously tested composite prototype fuselage section developed and manufactured by Sikorsky Aircraft Corporation under the US Army's Survivable Affordable Repairable Airframe Program (SARAP). Laminate characterization testing was conducted in tension and compression. In addition, dynamic impact tests were performed on several components, including I-beams, T-sections, and cruciform sections. Finally, tests were conducted on two full-scale components including a subfloor section and a framed fuselage section. These tests included a modal vibration and longitudinal impact test of the subfloor section and a quasi-static, modal vibration, and vertical drop test of the framed fuselage section. Most of the test articles were manufactured of graphite unidirectional tape composite with a thermoplastic resin system. However, the framed fuselage section was constructed primarily of a plain weave graphite fabric material with a thermoset resin system. Test data were collected from instrumentation such as accelerometers and strain gages and from full-field photogrammetry.

Trends in aerospace structures

NASA Technical Reports Server (NTRS)

Card, M. F.

1978-01-01

Recent developments indicate that there may soon be a revolution in aerospace structures. Increases in allowable operational stress levels, utilization of high-strength, high-toughness materials, and new structural concepts will highlight this advancement. Improved titanium and aluminum alloys and high-modulus, high-strength advanced composites, with higher specific properties than aluminum and high-strength nickel alloys, are expected to be the principal materials. Significant advances in computer technology will cause major changes in the preliminary design cycle and permit solutions of otherwise too-complex interactive structural problems and thus the development of vehicles and components of higher performance. The energy crisis will have an impact on material costs and choices and will spur the development of more weight-efficient structures. There will also be significant spinoffs of aerospace structures technology, particularly in composites and design/analysis software.

GRAIL Gravity Observations of the Transition from Complex Crater to Peak-Ring Basin on the Moon: Implications for Crustal Structure and Impact Basin Formation

NASA Technical Reports Server (NTRS)

Baker, David M. H.; Head, James W.; Phillips, Roger J.; Neumann, Gregory A.; Bierson, Carver J.; Smith, David E.; Zuber, Maria T.

2017-01-01

High-resolution gravity data from the Gravity Recovery and Interior Laboratory (GRAIL) mission provide the opportunity to analyze the detailed gravity and crustal structure of impact features in the morphological transition from complex craters to peak-ring basins on the Moon. We calculate average radial profiles for free-air anomalies and Bouguer anomalies for peak-ring basins, proto-basins, and the largest complex craters. Complex craters and proto-basins have free-air anomalies that are positively correlated with surface topography, unlike the prominent lunar mascons (positive free-air anomalies in areas of low elevation) associated with large basins. The Bouguer gravity anomaly profiles of complex craters are highly irregular, with central positive anomalies that are generally absent or not clearly tied to interior morphology. In contrast, gravity profiles for peak-ring basins (approx. 200 km to 580 km) are much more regular and are highly correlated with surface morphology. A central positive Bouguer anomaly is confined within the peak ring and a negative Bouguer anomaly annulus extends from the edge of the positive anomaly outward to about the rim crest. A number of degraded basins lacking interior peak rings have diameters and gravity patterns similar to those of well-preserved peak-ring basins. If these structures represent degraded peak-ring basins, the number of peak-ring basins on the Moon would increase by more than a factor of two to 34. The gravity anomalies within basins are interpreted to be due to uplift of the mantle confined within the peak ring and an annulus of thickened crust between the peak ring and rim crest. We hypothesize that mantle uplift is influenced by interaction between the transient cavity and the mantle. Further, mascon formation is generally disconnected from the number of basin rings formed and occurs over a wide range of basin sizes. These observations have important implications for models of basin and mascon formation on the Moon and other planetary bodies.

Native and Non-Native Plants Provide Similar Refuge to Invertebrate Prey, but Less than Artificial Plants

PubMed Central

Grutters, Bart M. C.; Pollux, Bart J. A.; Verberk, Wilco C. E. P.; Bakker, Elisabeth S.

2015-01-01

Non-native species introductions are widespread and can affect ecosystem functioning by altering the structure of food webs. Invading plants often modify habitat structure, which may affect the suitability of vegetation as refuge and could thus impact predator-prey dynamics. Yet little is known about how the replacement of native by non-native vegetation affects predator-prey dynamics. We hypothesize that plant refuge provisioning depends on (1) the plant’s native status, (2) plant structural complexity and morphology, (3) predator identity, and (4) prey identity, as well as that (5) structurally similar living and artificial plants provide similar refuge. We used aquatic communities as a model system and compared the refuge provided by plants to macroinvertebrates (Daphnia pulex, Gammarus pulex and damselfly larvae) in three short-term laboratory predation experiments. Plant refuge provisioning differed between plant species, but was generally similar for native (Myriophyllum spicatum, Ceratophyllum demersum, Potamogeton perfoliatus) and non-native plants (Vallisneria spiralis, Myriophyllum heterophyllum, Cabomba caroliniana). However, plant refuge provisioning to macroinvertebrate prey depended primarily on predator (mirror carp: Cyprinus carpio carpio and dragonfly larvae: Anax imperator) and prey identity, while the effects of plant structural complexity were only minor. Contrary to living plants, artificial plant analogues did improve prey survival, particularly with increasing structural complexity and shoot density. As such, plant rigidity, which was high for artificial plants and one of the living plant species evaluated in this study (Ceratophyllum demersum), may interact with structural complexity to play a key role in refuge provisioning to specific prey (Gammarus pulex). Our results demonstrate that replacement of native by structurally similar non-native vegetation is unlikely to greatly affect predator-prey dynamics. We propose that modification of predator-prey interactions through plant invasions only occurs when invading plants radically differ in growth form, density and rigidity compared to native plants. PMID:25885967

FTM-West : fuel treatment market model for U.S. West

Treesearch

Peter J. Ince; Andrew Kramp; Henry Spelter; Ken Skog; Dennis Dykstra

2006-01-01

This paper presents FTM–West, a partial market equilibrium model designed to project future wood market impacts of significantly expanded fuel treatment programs that could remove trees to reduce fire hazard on forestlands in the U.S. West. FTM–West was designed to account for structural complexities in marketing and utilization that arise from unconventional size...

The Impact of Structural Barriers and Facilitators on Early Childhood Literacy Programs in Elementary Charter Schools

ERIC Educational Resources Information Center

Ross, Denise; Pinder, Glen; Coles-White, D'Jaris

2015-01-01

Elementary charter schools increasingly serve students who are at-risk for reading challenges, giving them a critical role in establishing literacy for young children. This article examines the complexities of starting early childhood literacy programs in charter schools. Specifically, the first year of K-3 literacy programs in a new and a…

The Porter Douglass Case: Examining the Impact of Power, Politics, and the Press on Academic Decision-Making

ERIC Educational Resources Information Center

Jaeger, Audrey J.; Grantham, Ashley; Lynch, Terry

2014-01-01

Mixing political appointments and university operations can prove challenging and, in this case, caused the resignation of three senior officials at State University. Bolman and Deal's four frames provide a structure for analyzing this complex case. The political frame and issues of power and coalitions offer a particularly useful lens to…

A model for managing edge effects in harvest scheduling using spatial optimization

Treesearch

Kai L. Ross; Sándor F. Tóth

2016-01-01

Actively managed forest stands can create new forest edges. If left unchecked over time and across space, forest operations such as clear-cuts can create complex networks of forest edges. Newly created edges alter the landscape and can affect many environmental factors. These altered environmental factors have a variety of impacts on forest growth and structure and can...

Structures, physicochemical and cytoprotective properties of new oxidovanadium(IV) complexes -[VO(mIDA)(dmbipy)]·1.5H2O and [VO(IDA)(dmbipy)]·2H2O

NASA Astrophysics Data System (ADS)

Drzeżdżon, Joanna; Jacewicz, Dagmara; Wyrzykowski, Dariusz; Inkielewicz-Stępniak, Iwona; Sikorski, Artur; Tesmar, Aleksandra; Chmurzyński, Lech

2017-09-01

New oxidovanadium(IV) complexes with a modification of the ligand in the VO2+ coordination sphere were synthesized. [VO(mIDA)(dmbipy)]•1.5H2O and [VO(IDA)(dmbipy)]•2H2O were obtained as dark green crystals and grey-green powder, respectively (mIDA = N-methyliminodiacetic anion, IDA = iminodiacetic anion, dmbipy = 4,4‧-dimethoxy-2,2‧-dipyridyl). The crystal structure of [VO(mIDA)(dmbipy)]·1.5H2O has been determined by the X-ray diffraction method. The studies of structure of [VO(mIDA)(dmbipy)]•1.5H2O have shown that this compound occurs in the crystal as two rotational conformers. Furthermore, the stability constants of [VO(mIDA)(dmbipy)]•1.5H2O and [VO(IDA)(dmbipy)]•2H2O complexes in aqueous solutions were studied by using the potentiometric titration method and, consequently, determined using the Hyperquad2008 program. Moreover, the title complexes were investigated as antioxidant substances. The impact of the structure modification in the VO2+ complexes on the radical scavenging activity has been studied. The ability to scavenge the superoxide radical by two complexes - [VO(mIDA)(dmbipy)]·1.5H2O and [VO(IDA)(dmbipy)]·2H2O was studied by cyclic voltammetry (CV) and nitrobluetetrazolium (NBT) methods. The title complexes were also examined by the spectrophotometric method as scavengers of neutral organic radical - 1,1-diphenyl-2-picrylhydrazyl (DPPH•) and radical cation - 2,2'-azinobis-(3-ethylbenzothiazoline)-6-sulfonic acid (ABTS•+). Furthermore, the biological properties of two oxidovanadium(IV) complexes were investigated in relation to its cytoprotective properties by the MTT and LDH tests based on the hippocampal HT22 neuronal cell line during the oxidative damage induced by hydrogen peroxide. Finally, the results presented in this paper have shown that the both new oxidovanadium(IV) complexes with the 4,4‧-dimethoxy-2,2‧-dipyridyl ligand can be treated as the cytoprotective substances.

Impact of Degree Heterogeneity on Attack Vulnerability of Interdependent Networks

NASA Astrophysics Data System (ADS)

Sun, Shiwen; Wu, Yafang; Ma, Yilin; Wang, Li; Gao, Zhongke; Xia, Chengyi

2016-09-01

The study of interdependent networks has become a new research focus in recent years. We focus on one fundamental property of interdependent networks: vulnerability. Previous studies mainly focused on the impact of topological properties upon interdependent networks under random attacks, the effect of degree heterogeneity on structural vulnerability of interdependent networks under intentional attacks, however, is still unexplored. In order to deeply understand the role of degree distribution and in particular degree heterogeneity, we construct an interdependent system model which consists of two networks whose extent of degree heterogeneity can be controlled simultaneously by a tuning parameter. Meanwhile, a new quantity, which can better measure the performance of interdependent networks after attack, is proposed. Numerical simulation results demonstrate that degree heterogeneity can significantly increase the vulnerability of both single and interdependent networks. Moreover, it is found that interdependent links between two networks make the entire system much more fragile to attacks. Enhancing coupling strength between networks can greatly increase the fragility of both networks against targeted attacks, which is most evident under the case of max-max assortative coupling. Current results can help to deepen the understanding of structural complexity of complex real-world systems.

Effects of compositional complexity on the ion-irradiation induced swelling and hardening in Ni-containing equiatomic alloys

DOE PAGES

Jin, K.; Lu, C.; Wang, L. M.; ...

2016-04-14

The impact of compositional complexity on the ion-irradiation induced swelling and hardening is studied in Ni and six Ni-containing equiatomic alloys with face-centered cubic structure. The irradiation resistance at the temperature of 500 °C is improved by controlling the number and, especially, the type of alloying elements. Alloying with Fe and Mn has a stronger influence on swelling reduction than does alloying with Co and Cr. Lastly, the quinary alloy NiCoFeCrMn, with known excellent mechanical properties, has shown 40 times higher swelling tolerance than nickel.

Looking for Broken TAD Boundaries and Changes on DNA Interactions: Clinical Guide to 3D Chromatin Change Analysis in Complex Chromosomal Rearrangements and Chromothripsis.

PubMed

Yauy, Kevin; Gatinois, Vincent; Guignard, Thomas; Sati, Satish; Puechberty, Jacques; Gaillard, Jean Baptiste; Schneider, Anouck; Pellestor, Franck

2018-01-01

Apparition of next-generation sequencing (NGS) was a breakthrough on knowledge of genome structure. Bioinformatic tools are a key point to analyze this huge amount of data from NGS and characterize the three-dimensional organization of chromosomes. This chapter describes usage of different browsers to explore publicly available online data and to search for possible 3D chromatin changes involved during complex chromosomal rearrangements as chromothripsis. Their pathogenic impact on clinical phenotype and gene misexpression can also be evaluated with annotated databases.

The Cretaceous-Tertiary (K/T) impact: One or more source craters?

NASA Technical Reports Server (NTRS)

Koeberl, Christian

1992-01-01

The Cretaceous-Tertiary (K/T) boundary is marked by signs of a worldwide catastrophe, marking the demise of more than 50 percent of all living species. Ever since Alvarez et al. found an enrichment of IR and other siderophile elements in rocks marking the K/T boundary and interpreted it as the mark of a giant asteroid (or comet) impact, scientists have tried to understand the complexities of the K/T boundary event. The impact theory received a critical boost by the discovery of shocked minerals that have so far been found only in association with impact craters. One of the problems of the K/T impact theory was, and still is, the lack of an adequate large crater that is close to the maximum abundance of shocked grains in K/T boundary sections, which was found to occur in sections in Northern America. The recent discovery of impact glasses from a K/T section in Haiti has been crucial in establishing a connection with documented impact processes. The location of the impact-glass findings and the continental nature of detritus found in all K/T sections supports at least one impact site near the North American continent. The Manson Impact Structure is the largest recognized in the United States, 35 km in diameter, and has a radiometric age indistinguishable from that of the Cretaceous-Tertiary (K/T) boundary. Although the Manson structure may be too small, it may be considered at least one element of the events that led to the catastrophic loss of life and extinction of many species at that time. A second candidate for the K/T boundary crater is the Chicxulub structure, which was first suggested to be an impact crater more than a decade ago. Only recently, geophysical studies and petrological (as well as limited chemical) analyses have indicated that this buried structure may in fact be of impact origin. At present we can conclude that the Manson crater is the only confirmed crater of K/T age, but Chicxulub is becoming a strong contender; however, detailed geochemical, geochronological, and isotopic data are necessary to provide definitive evidence.

The Cretaceous-Tertiary (K/T) impact: One or more source craters?

NASA Astrophysics Data System (ADS)

Koeberl, Christian

The Cretaceous-Tertiary (K/T) boundary is marked by signs of a worldwide catastrophe, marking the demise of more than 50 percent of all living species. Ever since Alvarez et al. found an enrichment of IR and other siderophile elements in rocks marking the K/T boundary and interpreted it as the mark of a giant asteroid (or comet) impact, scientists have tried to understand the complexities of the K/T boundary event. The impact theory received a critical boost by the discovery of shocked minerals that have so far been found only in association with impact craters. One of the problems of the K/T impact theory was, and still is, the lack of an adequate large crater that is close to the maximum abundance of shocked grains in K/T boundary sections, which was found to occur in sections in Northern America. The recent discovery of impact glasses from a K/T section in Haiti has been crucial in establishing a connection with documented impact processes. The location of the impact-glass findings and the continental nature of detritus found in all K/T sections supports at least one impact site near the North American continent. The Manson Impact Structure is the largest recognized in the United States, 35 km in diameter, and has a radiometric age indistinguishable from that of the Cretaceous-Tertiary (K/T) boundary. Although the Manson structure may be too small, it may be considered at least one element of the events that led to the catastrophic loss of life and extinction of many species at that time. A second candidate for the K/T boundary crater is the Chicxulub structure, which was first suggested to be an impact crater more than a decade ago. Only recently, geophysical studies and petrological (as well as limited chemical) analyses have indicated that this buried structure may in fact be of impact origin. At present we can conclude that the Manson crater is the only confirmed crater of K/T age, but Chicxulub is becoming a strong contender; however, detailed geochemical, geochronological, and isotopic data are necessary to provide definitive evidence.

Drip bloodstain appearance on inclined apparel fabrics: Effect of prior-laundering, fibre content and fabric structure.

PubMed

de Castro, Therese C; Carr, Debra J; Taylor, Michael C; Kieser, Jules A; Duncan, Warwick

2016-09-01

The interaction of blood and fabrics is currently a 'hot topic', since the understanding and interpretation of these stains is still in its infancy. A recent simplified perpendicular impact experimental programme considering bloodstains generated on fabrics laid the foundations for understanding more complex scenarios. Blood rarely impacts apparel fabrics perpendicular; therefore a systematic study was conducted to characterise the appearance of drip stains on inclined fabrics. The final drip stain appearance for 45° and 15° impact angles on torso apparel fabrics (100% cotton plain woven, 100% polyester plain woven, a blend of polyester and cotton plain woven and 100% cotton single jersey knit) that had been laundered for six, 26 and 52 cycles prior to testing was investigated. The relationship between drop parameters (height and volume), angle and the stain characteristics (parent stain area, axis 1 and 2 and number of satellite stains) for each fabric was examined using analysis of variance. The appearance of the drip stains on these fabrics was distorted, in comparison to drip stains on hard-smooth surface. Examining the parent stain allowed for classification of stains occurring at an angle, however the same could not be said for the satellite stains produced. All of the dried stains visible on the surface of the fabric were larger than just after the impacting event, indicating within fabric spreading of blood due to capillary force (wicking). The cotton-containing fabrics spread the blood within the fabrics in all directions along the stain's circumference, while spreading within the polyester plain woven fabric occurred in only the weft (width of the fabric) and warp (length) directions. Laundering affected the formation of bloodstain on the blend plain woven fabric at both impact angles, although not all characteristics were significantly affected for the three impact conditions considered. The bloodstain characteristics varied due to the fibre content and fabric structure for both impact angles investigated. It is therefore necessary to consider the age of the fabric (which is fabric specific), the fibre type (including blends) and the fabric structure, before interpreting bloodstain patterns. An understanding of this simplified inclined drip stain interaction has been investigated to generate a basis for more complex interactions, such as spatter bloodstains. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Automatic Detection and Recognition of Craters Based on the Spectral Features of Lunar Rocks and Minerals

NASA Astrophysics Data System (ADS)

Ye, L.; Xu, X.; Luan, D.; Jiang, W.; Kang, Z.

2017-07-01

Crater-detection approaches can be divided into four categories: manual recognition, shape-profile fitting algorithms, machine-learning methods and geological information-based analysis using terrain and spectral data. The mainstream method is Shape-profile fitting algorithms. Many scholars throughout the world use the illumination gradient information to fit standard circles by least square method. Although this method has achieved good results, it is difficult to identify the craters with poor "visibility", complex structure and composition. Moreover, the accuracy of recognition is difficult to be improved due to the multiple solutions and noise interference. Aiming at the problem, we propose a method for the automatic extraction of impact craters based on spectral characteristics of the moon rocks and minerals: 1) Under the condition of sunlight, the impact craters are extracted from MI by condition matching and the positions as well as diameters of the craters are obtained. 2) Regolith is spilled while lunar is impacted and one of the elements of lunar regolith is iron. Therefore, incorrectly extracted impact craters can be removed by judging whether the crater contains "non iron" element. 3) Craters which are extracted correctly, are divided into two types: simple type and complex type according to their diameters. 4) Get the information of titanium and match the titanium distribution of the complex craters with normal distribution curve, then calculate the goodness of fit and set the threshold. The complex craters can be divided into two types: normal distribution curve type of titanium and non normal distribution curve type of titanium. We validated our proposed method with MI acquired by SELENE. Experimental results demonstrate that the proposed method has good performance in the test area.

Risk prioritisation using the analytic hierarchy process

NASA Astrophysics Data System (ADS)

Sum, Rabihah Md.

2015-12-01

This study demonstrated how to use the Analytic Hierarchy Process (AHP) to prioritise risks of an insurance company. AHP is a technique to structure complex problems by arranging elements of the problems in a hierarchy, assigning numerical values to subjective judgements on the relative importance of the elements and synthesizing the judgements to determine which elements have the highest priority. The study is motivated by wide application of AHP as a prioritisation technique in complex problems. It aims to show AHP is able to minimise some limitations of risk assessment technique using likelihood and impact. The study shows AHP is able to provide consistency check on subjective judgements, organise a large number of risks into a structured framework, assist risk managers to make explicit risk trade-offs, and provide an easy to understand and systematic risk assessment process.

Risk of Resource Failure and Toolkit Variation in Small-Scale Farmers and Herders

PubMed Central

Collard, Mark; Ruttle, April; Buchanan, Briggs; O’Brien, Michael J.

2012-01-01

Recent work suggests that global variation in toolkit structure among hunter-gatherers is driven by risk of resource failure such that as risk of resource failure increases, toolkits become more diverse and complex. Here we report a study in which we investigated whether the toolkits of small-scale farmers and herders are influenced by risk of resource failure in the same way. In the study, we applied simple linear and multiple regression analysis to data from 45 small-scale food-producing groups to test the risk hypothesis. Our results were not consistent with the hypothesis; none of the risk variables we examined had a significant impact on toolkit diversity or on toolkit complexity. It appears, therefore, that the drivers of toolkit structure differ between hunter-gatherers and small-scale food-producers. PMID:22844421

In Situ FTIR and NMR Spectroscopic Investigations on Ruthenium-Based Catalysts for Alkene Hydroformylation.

PubMed

Kubis, Christoph; Profir, Irina; Fleischer, Ivana; Baumann, Wolfgang; Selent, Detlef; Fischer, Christine; Spannenberg, Anke; Ludwig, Ralf; Hess, Dieter; Franke, Robert; Börner, Armin

2016-02-18

Homogeneous ruthenium complexes modified by imidazole-substituted monophosphines as catalysts for various highly efficient hydroformylation reactions were characterized by in situ IR spectroscopy under reaction conditions and NMR spectroscopy. A proper protocol for the preformation reaction from [Ru3 (CO)12] is decisive to prevent the formation of inactive ligand-modified polynuclear complexes. During catalysis, ligand-modified mononuclear ruthenium(0) carbonyls were detected as resting states. Changes in the ligand structure have a crucial impact on the coordination behavior of the ligand and consequently on the catalytic performance. The substitution of CO by a nitrogen atom of the imidazolyl moiety in the ligand is not a general feature, but it takes place when structural prerequisites of the ligand are fulfilled. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detection of expression quantitative trait Loci in complex mouse crosses: impact and alleviation of data quality and complex population substructure.

PubMed

Iancu, Ovidiu D; Darakjian, Priscila; Kawane, Sunita; Bottomly, Daniel; Hitzemann, Robert; McWeeney, Shannon

2012-01-01

Complex Mus musculus crosses, e.g., heterogeneous stock (HS), provide increased resolution for quantitative trait loci detection. However, increased genetic complexity challenges detection methods, with discordant results due to low data quality or complex genetic architecture. We quantified the impact of theses factors across three mouse crosses and two different detection methods, identifying procedures that greatly improve detection quality. Importantly, HS populations have complex genetic architectures not fully captured by the whole genome kinship matrix, calling for incorporating chromosome specific relatedness information. We analyze three increasingly complex crosses, using gene expression levels as quantitative traits. The three crosses were an F(2) intercross, a HS formed by crossing four inbred strains (HS4), and a HS (HS-CC) derived from the eight lines found in the collaborative cross. Brain (striatum) gene expression and genotype data were obtained using the Illumina platform. We found large disparities between methods, with concordance varying as genetic complexity increased; this problem was more acute for probes with distant regulatory elements (trans). A suite of data filtering steps resulted in substantial increases in reproducibility. Genetic relatedness between samples generated overabundance of detected eQTLs; an adjustment procedure that includes the kinship matrix attenuates this problem. However, we find that relatedness between individuals is not evenly distributed across the genome; information from distinct chromosomes results in relatedness structure different from the whole genome kinship matrix. Shared polymorphisms from distinct chromosomes collectively affect expression levels, confounding eQTL detection. We suggest that considering chromosome specific relatedness can result in improved eQTL detection.

Multiscale modelling of hydraulic conductivity in vuggy porous media

PubMed Central

Daly, K. R.; Roose, T.

2014-01-01

Flow in both saturated and non-saturated vuggy porous media, i.e. soil, is inherently multiscale. The complex microporous structure of the soil aggregates and the wider vugs provides a multitude of flow pathways and has received significant attention from the X-ray computed tomography (CT) community with a constant drive to image at higher resolution. Using multiscale homogenization, we derive averaged equations to study the effects of the microscale structure on the macroscopic flow. The averaged model captures the underlying geometry through a series of cell problems and is verified through direct comparison to numerical simulations of the full structure. These methods offer significant reductions in computation time and allow us to perform three-dimensional calculations with complex geometries on a desktop PC. The results show that the surface roughness of the aggregate has a significantly greater effect on the flow than the microstructure within the aggregate. Hence, this is the region in which the resolution of X-ray CT for image-based modelling has the greatest impact. PMID:24511248

Machine Detection of Enhanced Electromechanical Energy Conversion in PbZr 0.2Ti 0.8O 3 Thin Films

DOE PAGES

Agar, Joshua C.; Cao, Ye; Naul, Brett; ...

2018-05-28

Many energy conversion, sensing, and microelectronic applications based on ferroic materials are determined by the domain structure evolution under applied stimuli. New hyperspectral, multidimensional spectroscopic techniques now probe dynamic responses at relevant length and time scales to provide an understanding of how these nanoscale domain structures impact macroscopic properties. Such approaches, however, remain limited in use because of the difficulties that exist in extracting and visualizing scientific insights from these complex datasets. Using multidimensional band-excitation scanning probe spectroscopy and adapting tools from both computer vision and machine learning, an automated workflow is developed to featurize, detect, and classify signatures ofmore » ferroelectric/ferroelastic switching processes in complex ferroelectric domain structures. This approach enables the identification and nanoscale visualization of varied modes of response and a pathway to statistically meaningful quantification of the differences between those modes. Lastly, among other things, the importance of domain geometry is spatially visualized for enhancing nanoscale electromechanical energy conversion.« less

Boundary Layer Characterization during Perdigão Field Campaign 2017

NASA Astrophysics Data System (ADS)

Leo, L. S.; Salvadore, J. J.; Belo-Pereira, M.; Menke, R.; Gomes, S.; Krishnamurthy, R.; Brown, W. O. J.; Creegan, E.; Klein, P. M.; Wildmann, N.; Oncley, S.; Fernando, J.; Mann, J.

2017-12-01

The depth and structure of the atmospheric boundary layer (ABL) significantly impact the performances of wind farms located in complex terrain environments, since low-level jets and other flow structures in the proximity of hills and mountains determine the weather extremes, such as shear layer instabilities, lee/internal wave breaking, etc. which in turn profoundly modify the turbulence profile at wind turbine relevant heights.A suite of instruments was deployed covering a double-ridge in central Portugal near the town of Perdigão in 2016-2017, and they are used here to characterize the ABL structure over complex terrain during the Intensive Observational Period (IOP, May 1- June 15, 2017) of the research field program dubbed "Perdigão". Firstly, the methodology adopted in this work to estimate the BL height will be discussed; secondly, an overview of the BL depth and characteristics during Perdigão-IOP campaign will be provided, with emphasis on case studies of interest for both the wind-power and boundary-layer communities.

Memory for product sounds: the effect of sound and label type.

PubMed

Ozcan, Elif; van Egmond, René

2007-11-01

The (mnemonic) interactions between auditory, visual, and the semantic systems have been investigated using structurally complex auditory stimuli (i.e., product sounds). Six types of product sounds (air, alarm, cyclic, impact, liquid, mechanical) that vary in spectral-temporal structure were presented in four label type conditions: self-generated text, text, image, and pictogram. A memory paradigm that incorporated free recall, recognition, and matching tasks was employed. The results for the sound type suggest that the amount of spectral-temporal structure in a sound can be indicative for memory performance. Findings related to label type suggest that 'self' creates a strong bias for the retrieval and the recognition of sounds that were self-labeled; the density and the complexity of the visual information (i.e., pictograms) hinders the memory performance ('visual' overshadowing effect); and image labeling has an additive effect on the recall and matching tasks (dual coding). Thus, the findings suggest that the memory performances for product sounds are task-dependent.

Electronic structure and partial charge distribution of Doxorubicin in different molecular environments.

PubMed

Poudel, Lokendra; Wen, Amy M; French, Roger H; Parsegian, V Adrian; Podgornik, Rudolf; Steinmetz, Nicole F; Ching, Wai-Yim

2015-05-18

The electronic structure and partial charge of doxorubicin (DOX) in three different molecular environments-isolated, solvated, and intercalated in a DNA complex-are studied by first-principles density functional methods. It is shown that the addition of solvating water molecules to DOX, together with the proximity to and interaction with DNA, has a significant impact on the electronic structure as well as on the partial charge distribution. Significant improvement in estimating the DOX-DNA interaction energy is achieved. The results are further elucidated by resolving the total density of states and surface charge density into different functional groups. It is concluded that the presence of the solvent and the details of the interaction geometry matter greatly in determining the stability of DOX complexation. Ab initio calculations on realistic models are an important step toward a more accurate description of the long-range interactions in biomolecular systems. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Machine Detection of Enhanced Electromechanical Energy Conversion in PbZr 0.2Ti 0.8O 3 Thin Films

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

Agar, Joshua C.; Cao, Ye; Naul, Brett

Many energy conversion, sensing, and microelectronic applications based on ferroic materials are determined by the domain structure evolution under applied stimuli. New hyperspectral, multidimensional spectroscopic techniques now probe dynamic responses at relevant length and time scales to provide an understanding of how these nanoscale domain structures impact macroscopic properties. Such approaches, however, remain limited in use because of the difficulties that exist in extracting and visualizing scientific insights from these complex datasets. Using multidimensional band-excitation scanning probe spectroscopy and adapting tools from both computer vision and machine learning, an automated workflow is developed to featurize, detect, and classify signatures ofmore » ferroelectric/ferroelastic switching processes in complex ferroelectric domain structures. This approach enables the identification and nanoscale visualization of varied modes of response and a pathway to statistically meaningful quantification of the differences between those modes. Lastly, among other things, the importance of domain geometry is spatially visualized for enhancing nanoscale electromechanical energy conversion.« less

Impact of biogenic amine molecular weight and structure on surfactant adsorption at the air-water interface.

PubMed

Penfold, Jeffrey; Thomas, Robert K; Li, Peixun

2016-02-01

The oligoamines, such as ethylenediamine to pentaethylenetetramine, and the aliphatic biogenic amines, such as putrescine, spermidine and spermine, strongly interact with anionic surfactants, such as sodium dodecylsulfate, SDS. It has been shown that this results in pronounced surfactant adsorption at the air-water interface and the transition from monolayer to multilayer adsorption which depends upon solution pH and oligoamine structure. In the neutron reflectivity, NR, and surface tension, ST, results presented here the role of the oligoamine structure on the adsorption of SDS is investigated more fully using a range of different biogenic amines. The effect of the extent of the intra-molecular spacing between amine groups on the adsorption has been extended by comparing results for cadavarine with putrescine and ethylenediamine. The impact of more complex biogenic amine structures on the adsorption has been investigated with the aromatic phenethylamine, and the heterocyclic amines histamine and melamine. The results provide an important insight into how surfactant adsorption at interfaces can be manipulated by the addition of biogenic amines, and into the role of solution pH and oligoamine structure in modifying the interaction between the surfactant and oligoamine. The results impact greatly upon potential applications and in understanding some of the important biological functions of biogenic amines. Copyright © 2015 Elsevier Inc. All rights reserved.

Research and test facilities

NASA Technical Reports Server (NTRS)

1993-01-01

A description is given of each of the following Langley research and test facilities: 0.3-Meter Transonic Cryogenic Tunnel, 7-by 10-Foot High Speed Tunnel, 8-Foot Transonic Pressure Tunnel, 13-Inch Magnetic Suspension & Balance System, 14-by 22-Foot Subsonic Tunnel, 16-Foot Transonic Tunnel, 16-by 24-Inch Water Tunnel, 20-Foot Vertical Spin Tunnel, 30-by 60-Foot Wind Tunnel, Advanced Civil Transport Simulator (ACTS), Advanced Technology Research Laboratory, Aerospace Controls Research Laboratory (ACRL), Aerothermal Loads Complex, Aircraft Landing Dynamics Facility (ALDF), Avionics Integration Research Laboratory, Basic Aerodynamics Research Tunnel (BART), Compact Range Test Facility, Differential Maneuvering Simulator (DMS), Enhanced/Synthetic Vision & Spatial Displays Laboratory, Experimental Test Range (ETR) Flight Research Facility, General Aviation Simulator (GAS), High Intensity Radiated Fields Facility, Human Engineering Methods Laboratory, Hypersonic Facilities Complex, Impact Dynamics Research Facility, Jet Noise Laboratory & Anechoic Jet Facility, Light Alloy Laboratory, Low Frequency Antenna Test Facility, Low Turbulence Pressure Tunnel, Mechanics of Metals Laboratory, National Transonic Facility (NTF), NDE Research Laboratory, Polymers & Composites Laboratory, Pyrotechnic Test Facility, Quiet Flow Facility, Robotics Facilities, Scientific Visualization System, Scramjet Test Complex, Space Materials Research Laboratory, Space Simulation & Environmental Test Complex, Structural Dynamics Research Laboratory, Structural Dynamics Test Beds, Structures & Materials Research Laboratory, Supersonic Low Disturbance Pilot Tunnel, Thermal Acoustic Fatigue Apparatus (TAFA), Transonic Dynamics Tunnel (TDT), Transport Systems Research Vehicle, Unitary Plan Wind Tunnel, and the Visual Motion Simulator (VMS).

A Printing-Centric Approach to the Electrostatic Modification of Polymer/Clay Composites for use in 3D Direct-Ink Writing

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

Rauzan, Brittany; Lehman, Sean; McCracken, Josell

Polymer/clay composite inks are exceptionally useful materials for fabrication processes based on 3D direct-ink writing, however, there remains an insufficient understanding of how their physiochemical dynamics impact printability. Using a model system, N-isopropylacrylamide/Laponite, the electrostatic interactions between Laponite platelets are modified to tune critical rheological properties in order to improve printability. Rheological measurements and X-ray scattering experiments are carried out to monitor the nano/micro-structural dynamics and complex physicochemical interactions of Laponite as it impacts complex modulus in the linear region, flow behavior, thixotropy, and yield stress of the composite ink. Modification of the electrostatic interactions between platelets reduces the yieldmore » stress of the material, while maintaining a complex microstructure that allows for sufficient recovery times upon removal of stress to form stable, and thus printable, filaments. A printing-centric approach is established based on a fundamental understanding of electrostatic inter-particle interactions, harnessing the innate microstructure of Laponite in 3D direct-ink writing of composites.« less

Identifying future directions for subsurface hydrocarbon migration research

NASA Astrophysics Data System (ADS)

Leifer, I.; Clark, J. F.; Luyendyk, B.; Valentine, D.

Subsurface hydrocarbon migration is important for understanding the input and impacts of natural hydrocarbon seepage on the environment. Great uncertainties remain in most aspects of hydrocarbon migration, including some basic mechanisms of this four-phase flow of tar, oil, water, and gas through the complex fracture-network geometry particularly since the phases span a wide range of properties. Academic, government, and industry representatives recently attended a workshop to identify the areas of greatest need for future research in shallow hydrocarbon migration.Novel approaches such as studying temporal and spatial seepage variations and analogous geofluid systems (e.g., geysers and trickle beds) allow deductions of subsurface processes and structures that remain largely unclear. Unique complexities exist in hydrocarbon migration due to its multiphase flow and complex geometry, including in-situ biological weathering. Furthermore, many aspects of the role of hydrocarbons (positive and negative) in the environment are poorly understood, including how they enter the food chain (respiration, consumption, etc.) and “percolate” to higher trophic levels. But understanding these ecological impacts requires knowledge of the emissions' temporal and spatial variability and trajectories.

Shock attenuation at the Slate Islands revisited

NASA Technical Reports Server (NTRS)

Wu, S.; Robertson, P. B.; Grieve, R. A. F.

1993-01-01

This study of a more extensive suite of Slate Islands samples confirms previous interpretations. It indicates clearly that recorded shock pressures, as determined by planar deformation feature orientations, increased towards the center. The 'shock center' is very close (considering the structural movements during cavity modification) to that from an independent determination from shatter cone orientations. Shock metamorphism at a higher level in breccia clasts than in the adjacent country rocks is evidence that the shock event preceded the formation of the breccia dikes. These observations, which are consistent with those at other impact structures, are all contrary to the interpretation by Sage that breccia dike formation by diatreme action was the source of the shock event. There is no plausible reason to consider the Slate Islands as anything but the emergent portion of the central uplift of a complex impact crater. It cannot be cited as an example of endogenic shock in arguments regarding evidence of impact in the terrestrial stratigraphic record.

Geo-Chip analysis reveals reduced functional diversity of the bacterial community at a dumping site for dredged Elbe sediment.

PubMed

Störmer, Rebecca; Wichels, Antje; Gerdts, Gunnar

2013-12-15

The dumping of dredged sediments represents a major stressor for coastal ecosystems. The impact on the ecosystem function is determined by its complexity not easy to assess. In the present study, we evaluated the potential of bacterial community analyses to act as ecological indicators in environmental monitoring programmes. We investigated the functional structure of bacterial communities, applying functional gene arrays (GeoChip4.2). The relationship between functional genes and environmental factors was analysed using distance-based multivariate multiple regression. Apparently, both the function and structure of the bacterial communities are impacted by dumping activities. The bacterial community at the dumping centre displayed a significant reduction of its entire functional diversity compared with that found at a reference site. DDX compounds separated bacterial communities of the dumping site from those of un-impacted sites. Thus, bacterial community analyses show great potential as ecological indicators in environmental monitoring. Copyright © 2013 Elsevier Ltd. All rights reserved.

Impacts of engineered nanomaterials on microbial community structure and function in natural and engineered ecosystems.

PubMed

Mohanty, Anee; Wu, Yichao; Cao, Bin

2014-10-01

In natural and engineered environments, microorganisms often exist as complex communities, which are key to the health of ecosystems and the success of bioprocesses in various engineering applications. With the rapid development of nanotechnology in recent years, engineered nanomaterials (ENMs) have been considered one type of emerging contaminants that pose great potential risks to the proper function of microbial communities in natural and engineered ecosystems. The impacts of ENMs on microorganisms have attracted increasing research attentions; however, most studies focused on the antimicrobial activities of ENMs at single cell and population level. Elucidating the influence of ENMs on microbial communities represents a critical step toward a comprehensive understanding of the ecotoxicity of ENMs. In this mini-review, we summarize and discuss recent research work on the impacts of ENMs on microbial communities in natural and engineered ecosystems, with an emphasis on their influences on the community structure and function. We also highlight several important research topics which may be of great interest to the research community.

Development and characterisation of a novel three-dimensional inter-kingdom wound biofilm model.

PubMed

Townsend, Eleanor M; Sherry, Leighann; Rajendran, Ranjith; Hansom, Donald; Butcher, John; Mackay, William G; Williams, Craig; Ramage, Gordon

2016-11-01

Chronic diabetic foot ulcers are frequently colonised and infected by polymicrobial biofilms that ultimately prevent healing. This study aimed to create a novel in vitro inter-kingdom wound biofilm model on complex hydrogel-based cellulose substrata to test commonly used topical wound treatments. Inter-kingdom triadic biofilms composed of Candida albicans, Pseudomonas aeruginosa, and Staphylococcus aureus were shown to be quantitatively greater in this model compared to a simple substratum when assessed by conventional culture, metabolic dye and live dead qPCR. These biofilms were both structurally complex and compositionally dynamic in response to topical therapy, so when treated with either chlorhexidine or povidone iodine, principal component analysis revealed that the 3-D cellulose model was minimally impacted compared to the simple substratum model. This study highlights the importance of biofilm substratum and inclusion of relevant polymicrobial and inter-kingdom components, as these impact penetration and efficacy of topical antiseptics.

Geomechanical models of impact cratering: Puchezh-Katunki structure

NASA Technical Reports Server (NTRS)

Ivanov, B. A.

1992-01-01

Impact cratering is a complex natural phenomenon that involves various physical and mechanical processes. Simulating these processes may be improved using the data obtained during the deep drilling at the central mound of the Puchezh-Katunki impact structure. A research deep drillhole (named Vorotilovskaya) has been drilled in the Puchezh-Katunki impact structure (European Russia, 57 deg 06 min N, 43 deg 35 min E). The age of the structure is estimated at about 180 to 200 m.y. The initial rim crater diameter is estimated at about 40 km. The central uplift is composed of large blocks of crystalline basement rocks. Preliminary study of the core shows that crystalline rocks are shock metamorphosed by shock pressure from 45 GPa near the surface to 15-20 GPa at a depth of about 5 km. The drill core allows the possibility of investigating many previously poorly studied cratering processes in the central part of the impact structure. As a first step one can use the estimates of energy for the homogeneous rock target. The diameter of the crater rim may be estimated as 40 km. The models elaborated earlier show that such a crater may be formed after collapse of a transient cavity with a radius of 10 km. The most probable range of impact velocities from 11.2 to 30 km/s may be inferred for the asteroidal impactor. For the density of a projectile of 2 g/cu cm the energy of the impact is estimated as 1E28 to 3E28 erg. In the case of vertical impact, the diameter of an asteroidal projectile is from 1.5 to 3 km for the velocity range from 11 to 30 km/s. For the most probable impact angle of 45 deg, the estimated diameter of an asteroid is slightly larger: from 2 to 4 km. Numerical simulation of the transient crater collapse has been done using several models of rock rheology during collapse. Results show that the column at the final position beneath the central mound is about 5 km in length. This value is close to the shock-pressure decay observed along the drill core. Further improvement of the model needs to take into account the blocky structure of target rocks revealed by drilling.

Possible Impact Origin for the Late Ordovician Bear Swamp Structure in the Finger Lakes Region of New York

NASA Astrophysics Data System (ADS)

Leiphart, D.

2010-12-01

Impact structures, or astroblemes, are one of rarest formations in the geologic record. Presently there are 176 confirmed impact structures on the planet with roughly two-thirds of them evident at the surface. A potential impact structure has been discovered in a 3D seismic survey in the Finger Lakes Region of upstate New York (Figure 1 - N42o43.187’; W76o16.637’). The Bear Swamp crater is uppermost Ordovician (~444 Ma) in age and is situated within the fluvial-deltaic to shallow marine Queenston Formation. This nearly circular structure measures 3.5 km (2.2 mi) in diameter and is completely buried in the subsurface at a depth of approximately 1,220 m (4,000 ft). Seismic data show a central uplift within the crater that rises about 160 m (525 ft) above the base. Around the central uplift is an annular basin that is more than 300 m (~1,000 ft) thick and is characterized by synformal seismic reflectors (Figure 1). This three-dimensional morphology resembles other complex craters of confirmed impact origin. Two exploration wells were drilled into the crater and image logs were run. The first well tested the central rebound which consists of steeply dipping beds and heavily brecciated zones. The second well was drilled in the annular basin which contains alternating sequences of chaotic zones and shallow dipping beds. Based on analogous impact structures, this crater fill is here interpreted as resurge breccias and turbidites which were the result of intense wave action in the moments after impact. Above these impact-related deposits lies a zone of very thin (~2cm) laminae which resemble varved sediments in lacustrine environments. A bioturbated zone overlies these thin laminae, which is in turn capped by the End Ordovician unconformity. Observations of both seismic and well data are consistent with a shallow marine to transition zone impact origin for the Bear Swamp crater. Figure 1: Location map showing the area of the ~180 km2 (70 mi2) 3D seismic survey and the proposed Bear Swamp Astrobleme. The map in the lower left is a time slice through a coherency volume at 650 milliseconds. The inset at the lower right is a cutout of the 3D volume with the Queenston top and base crater horizon extrapolated out.

Waveform complexity caused by near trench structure and its impact on earthquake source study: application to the 2015 Illapel earthquake sequence

NASA Astrophysics Data System (ADS)

Qian, Y.; Wei, S.; Wu, W.; Ni, S.

2017-12-01

Among various types of 3D heterogeneity in the Earth, trench might be the most complex systems, which includes rapidly varying bathymetry and usually thick sediment below water layer. These structure complexities can cause substantial waveform complexities on seismograms, but their corresponding impact on the earthquake source studies has not yet been well understood. Here we explore those effects via studies of two moderate aftershocks (one near the coast while the other close to the Peru-Chile trench axis) in the 2015 Illapel earthquake sequence. The horizontal locations and depths of these two events are poorly constrained and the reported results of various agencies display substantial variations. Thus, we first relocated the epicenters using the P-wave first arrivals and determined other parameters by waveform fitting. In a jackknifing way, we found that the trench event has large differences between regional and teleseismic solutions, in particular for depth, while the coastal event shows consistent results. The teleseismic P/Pdiff waves between these two events also display distinctly different features. More specifically, the trench event has more complex P/Pdiff waves and stronger coda waves, in terms of amplitude and duration (longer than 100s). The coda waves are coherent across stations at different distances and azimuths, indicating a more likely origin of scattering waves due to 3D heterogeneity near trench. To quantitatively model those 3D effects, we adopted a hybrid waveform simulation approach that computes the 3D wavefield in the source region by the Spectral Element Method (SEM) and then propagates the wavefield to teleseismic and shadow zone distances through the Direct Solution Method (DSM). We incorporated the GEBCO bathymetry and water layer into the SEM simulations and assumed the IASP91 1D model for DSM computation. Comparing with the poor 1D synthetics fitting to the data, we do obtain dramatic improvement in 3D waveform fittings across a series of frequency bands. With sensitivity tests of 3D waveform modeling, the centroid longitude and depth for the near trench event are refined. Our study suggests that the complex trench structure must be taken into account for a reliable analysis of shallow earthquake near trench, in particular for the shallowest tsunamigenic earthquakes.

Considerations in evaluating potential socioeconomic impacts of offshore platform decommissioning in California.

PubMed

Kruse, Sarah A; Bernstein, Brock; Scholz, Astrid J

2015-10-01

The 27 oil and gas platforms offshore southern California will eventually reach the end of their useful lifetimes (estimated between 2015 and 2030) and will be decommissioned. Current state and federal laws and regulations allow for alternative uses in lieu of the complete removal required in existing leases. Any decommissioning pathway will create a complex mix of costs, benefits, opportunities, and constraints for multiple user groups. To assist the California Natural Resources Agency in understanding these issues, we evaluated the potential socioeconomic impacts of the 2 most likely options: complete removal and partial removal of the structure to 85 feet below the waterline with the remaining structure left in place as an artificial reef-generally defined as a manmade structure with some properties that mimic a natural reef. We estimated impacts on commercial fishing, commercial shipping, recreational fishing, nonconsumptive boating, and nonconsumptive SCUBA diving. Available data supported quantitative estimates for some impacts, semiquantitative estimates for others, and only qualitative approximations of the direction of impact for still others. Even qualitative estimates of the direction of impacts and of user groups' likely preferred options have been useful to the public and decision makers and provided valuable input to the project's integrative decision model. Uncertainty surrounds even qualitative estimates of the likely direction of impact where interactions between multiple impacts could occur or where user groups include subsets that would experience the same option differently. In addition, we were unable to quantify effects on ecosystem value and on the larger regional ecosystem, because of data gaps on the population sizes and dynamics of key species and the uncertainty surrounding the contribution of platforms to available hard substrate and related natural populations offshore southern California. © 2015 SETAC.

Climate Change and Food Security: Health Impacts in Developed Countries

PubMed Central

Hooper, Lee; Abdelhamid, Asmaa; Bentham, Graham; Boxall, Alistair B.A.; Draper, Alizon; Fairweather-Tait, Susan; Hulme, Mike; Hunter, Paul R.; Nichols, Gordon; Waldron, Keith W.

2012-01-01

Background: Anthropogenic climate change will affect global food production, with uncertain consequences for human health in developed countries. Objectives: We investigated the potential impact of climate change on food security (nutrition and food safety) and the implications for human health in developed countries. Methods: Expert input and structured literature searches were conducted and synthesized to produce overall assessments of the likely impacts of climate change on global food production and recommendations for future research and policy changes. Results: Increasing food prices may lower the nutritional quality of dietary intakes, exacerbate obesity, and amplify health inequalities. Altered conditions for food production may result in emerging pathogens, new crop and livestock species, and altered use of pesticides and veterinary medicines, and affect the main transfer mechanisms through which contaminants move from the environment into food. All these have implications for food safety and the nutritional content of food. Climate change mitigation may increase consumption of foods whose production reduces greenhouse gas emissions. Impacts may include reduced red meat consumption (with positive effects on saturated fat, but negative impacts on zinc and iron intake) and reduced winter fruit and vegetable consumption. Developed countries have complex structures in place that may be used to adapt to the food safety consequences of climate change, although their effectiveness will vary between countries, and the ability to respond to nutritional challenges is less certain. Conclusions: Climate change will have notable impacts upon nutrition and food safety in developed countries, but further research is necessary to accurately quantify these impacts. Uncertainty about future impacts, coupled with evidence that climate change may lead to more variable food quality, emphasizes the need to maintain and strengthen existing structures and policies to regulate food production, monitor food quality and safety, and respond to nutritional and safety issues that arise. PMID:23124134

Climate change and food security: health impacts in developed countries.

PubMed

Lake, Iain R; Hooper, Lee; Abdelhamid, Asmaa; Bentham, Graham; Boxall, Alistair B A; Draper, Alizon; Fairweather-Tait, Susan; Hulme, Mike; Hunter, Paul R; Nichols, Gordon; Waldron, Keith W

2012-11-01

Anthropogenic climate change will affect global food production, with uncertain consequences for human health in developed countries. We investigated the potential impact of climate change on food security (nutrition and food safety) and the implications for human health in developed countries. Expert input and structured literature searches were conducted and synthesized to produce overall assessments of the likely impacts of climate change on global food production and recommendations for future research and policy changes. Increasing food prices may lower the nutritional quality of dietary intakes, exacerbate obesity, and amplify health inequalities. Altered conditions for food production may result in emerging pathogens, new crop and livestock species, and altered use of pesticides and veterinary medicines, and affect the main transfer mechanisms through which contaminants move from the environment into food. All these have implications for food safety and the nutritional content of food. Climate change mitigation may increase consumption of foods whose production reduces greenhouse gas emissions. Impacts may include reduced red meat consumption (with positive effects on saturated fat, but negative impacts on zinc and iron intake) and reduced winter fruit and vegetable consumption. Developed countries have complex structures in place that may be used to adapt to the food safety consequences of climate change, although their effectiveness will vary between countries, and the ability to respond to nutritional challenges is less certain. Climate change will have notable impacts upon nutrition and food safety in developed countries, but further research is necessary to accurately quantify these impacts. Uncertainty about future impacts, coupled with evidence that climate change may lead to more variable food quality, emphasizes the need to maintain and strengthen existing structures and policies to regulate food production, monitor food quality and safety, and respond to nutritional and safety issues that arise.

Earth Observations taken by the Expedition 17 Crew

NASA Image and Video Library

2008-10-21

ISS017-E-020538 (21 Oct. 2008) --- Arkenu Craters 1 and 2 in Libya are featured in this image photographed by an Expedition 17 crewmember on the International Space Station. Geologists often study features on Earth, such as impact craters, to gain insight into processes that occur on other planets. On Earth, more than 150 impact craters have been identified on the continents, but only a few of these are classified as double impact craters. One such example, the Arkenu Craters in northern Africa, is shown in this image. Arkenu 1 and 2 are double impact structures located in eastern Libya (22.04 degrees north latitude and 23.45 degrees east longitude) in the Sahara desert, with diameters of approximately 6.8 kilometers and 10.3 kilometers, respectively. The craters are unusual in that they both exhibit concentric annular ridge structures (gray circles in the image indicate the position of the outermost visible ridges). In many terrestrial complex craters these features are highly eroded and no longer visible. While the circular structure of these features had been noted, the impact origin hypothesis was strengthened in December 2003 when a field team observed shatter cones -- conical-shaped features in rocks created by the high shock pressures generated during impact. Large outcrops of impact breccias -- a jumble of rock fragments generated at the impact site that are now cemented together into an identifiable rock layer -- were also observed by the field team. Two impactors, each approximately 500 meters in diameter, are thought to have created the craters. According to scientists, the age of the impact event has been dated as occurring less than 140 million years ago. While the presence of shatter cones and impact breccias is generally considered to be strong evidence for meteor impact, some scientists now question the interpretation of these features observed at the Arkenu structures and suggest that they were caused by erosive and volcanic processes. At present, both craters are being crossed by linear dunes extending northeast-southwest -- the superposition of the dunes across the annular ridges indicates that they are much younger than the craters.

3D bio-etching of a complex composite-like embryonic tissue.

PubMed

Hazar, Melis; Kim, Yong Tae; Song, Jiho; LeDuc, Philip R; Davidson, Lance A; Messner, William C

2015-08-21

Morphogenesis involves a complex series of cell signaling, migration and differentiation events that are coordinated as tissues self-assemble during embryonic development. Collective cell movements such as those that occur during morphogenesis have typically been studied in 2D with single layers of cultured cells adhering to rigid substrates such as glass or plastic. In vivo, the intricacies of the 3D microenvironment and complex 3D responses are pivotal in the formation of functional tissues. To study such processes as collective cell movements within 3D multilayered tissues, we developed a microfluidic technique capable of producing complex 3D laminar multicellular structures. We call this technique "3D tissue-etching" because it is analogous to techniques used in the microelectromechanics (MEMS) field where complex 3D structures are built by successively removing material from a monolithic solid through subtractive manufacturing. We use a custom-designed microfluidic control system to deliver a range of tissue etching reagents (detergents, chelators, proteases, etc.) to specific regions of multilayered tissues. These tissues were previously isolated by microsurgical excision from embryos of the African claw-toed frog, Xenopus laevis. The ability to shape the 3D form of multicellular tissues and to control 3D stimulation will have a high impact on tissue engineering and regeneration applications in bioengineering and medicine as well as provide significant improvements in the synthesis of highly complex 3D integrated multicellular biosystems.

Multiscale structures of lipids in foods as parameters affecting fatty acid bioavailability and lipid metabolism.

PubMed

Michalski, M C; Genot, C; Gayet, C; Lopez, C; Fine, F; Joffre, F; Vendeuvre, J L; Bouvier, J; Chardigny, J M; Raynal-Ljutovac, K

2013-10-01

On a nutritional standpoint, lipids are now being studied beyond their energy content and fatty acid (FA) profiles. Dietary FA are building blocks of a huge diversity of more complex molecules such as triacylglycerols (TAG) and phospholipids (PL), themselves organised in supramolecular structures presenting different thermal behaviours. They are generally embedded in complex food matrixes. Recent reports have revealed that molecular and supramolecular structures of lipids and their liquid or solid state at the body temperature influence both the digestibility and metabolism of dietary FA. The aim of the present review is to highlight recent knowledge on the impact on FA digestion, absorption and metabolism of: (i) the intramolecular structure of TAG; (ii) the nature of the lipid molecules carrying FA; (iii) the supramolecular organization and physical state of lipids in native and formulated food products and (iv) the food matrix. Further work should be accomplished now to obtain a more reliable body of evidence and integrate these data in future dietary recommendations. Additionally, innovative lipid formulations in which the health beneficial effects of either native or recomposed structures of lipids will be taken into account can be foreseen. Copyright © 2013 Elsevier Ltd. All rights reserved.

The fundamental problem of treating light incoherence in photovoltaics and its practical consequences

NASA Astrophysics Data System (ADS)

Herman, Aline; Sarrazin, Michaël; Deparis, Olivier

2014-01-01

The incoherence of sunlight has long been suspected to have an impact on solar cell energy conversion efficiency, although the extent of this is unclear. Existing computational methods used to optimize solar cell efficiency under incoherent light are based on multiple time-consuming runs and statistical averaging. These indirect methods show limitations related to the complexity of the solar cell structure. As a consequence, complex corrugated cells, which exploit light trapping for enhancing the efficiency, have not yet been accessible for optimization under incoherent light. To overcome this bottleneck, we developed an original direct method which has the key advantage that the treatment of incoherence can be totally decoupled from the complexity of the cell. As an illustration, surface-corrugated GaAs and c-Si thin-films are considered. The spectrally integrated absorption in these devices is found to depend strongly on the degree of light coherence and, accordingly, the maximum achievable photocurrent can be higher under incoherent light than under coherent light. These results show the importance of taking into account sunlight incoherence in solar cell optimization and point out the ability of our direct method to deal with complex solar cell structures.

Calcifying tissue regeneration via biomimetic materials chemistry

PubMed Central

Green, David W.; Goto, Tazuko K.; Kim, Kye-Seong; Jung, Han-Sung

2014-01-01

Materials chemistry is making a fundamental impact in regenerative sciences providing many platforms for tissue development. However, there is a surprising paucity of replacements that accurately mimic the structure and function of the structural fabric of tissues or promote faithful tissue reconstruction. Methodologies in biomimetic materials chemistry have shown promise in replicating morphologies, architectures and functional building blocks of acellular mineralized tissues dentine, enamel and bone or that can be used to fully regenerate them with integrated cell populations. Biomimetic materials chemistry encompasses the two processes of crystal formation and mineralization of crystals into inorganic formations on organic templates. This review will revisit the successes of biomimetics materials chemistry in regenerative medicine, including coccolithophore simulants able to promote in vivo bone formation. In-depth knowledge of biomineralization throughout evolution informs the biomimetic materials chemist of the most effective techniques for regenerative framework construction exemplified via exploitation of liquid crystals (LCs) and complex self-organizing media. Therefore, a new innovative direction would be to create chemical environments that perform reaction–diffusion exchanges as the basis for building complex biomimetic inorganic structures. This has evolved widely in biology, as have LCs, serving as self-organizing templates in pattern formation of structural biomaterials. For instance, a study is highlighted in which artificially fabricated chiral LCs, made from bacteriophages are transformed into a faithful copy of enamel. While chemical-based strategies are highly promising at creating new biomimetic structures there are limits to the degree of complexity that can be generated. Thus, there may be good reason to implement living or artificial cells in ‘morphosynthesis’ of complex inorganic constructs. In the future, cellular construction is probably key to instruct building of ultimate biomimetic hierarchies with a totality of functions. PMID:25320063

Structures of MART-1 26/27-35Peptide/HLA-A2 Complexes Reveal a Remarkable Disconnect between Antigen Structural Homology and T Cell Recognition

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

Borbulevych, Oleg Y; Insaidoo, Francis K; Baxter, Tiffany K

2008-09-17

Small structural changes in peptides presented by major histocompatibility complex (MHC) molecules often result in large changes in immunogenicity, supporting the notion that T cell receptors are exquisitely sensitive to antigen structure. Yet there are striking examples of TCR recognition of structurally dissimilar ligands. The resulting unpredictability of how T cells will respond to different or modified antigens impacts both our understanding of the physical bases for TCR specificity as well as efforts to engineer peptides for immunomodulation. In cancer immunotherapy, epitopes and variants derived from the MART-1/Melan-A protein are widely used as clinical vaccines. Two overlapping epitopes spanning aminomore » acid residues 26 through 35 are of particular interest: numerous clinical studies have been performed using variants of the MART-1 26-35 decamer, although only the 27-35 nonamer has been found on the surface of targeted melanoma cells. Here, we show that the 26-35 and 27-35 peptides adopt strikingly different conformations when bound to HLA-A2. Nevertheless, clonally distinct MART-1{sub 26/27-35}-reactive T cells show broad cross-reactivity towards these ligands. Simultaneously, however, many of the cross-reactive T cells remain unable to recognize anchor-modified variants with very subtle structural differences. These dichotomous observations challenge our thinking about how structural information on unligated peptide/MHC complexes should be best used when addressing questions of TCR specificity. Our findings also indicate that caution is warranted in the design of immunotherapeutics based on the MART-1 26/27-35 epitopes, as neither cross-reactivity nor selectivity is predictable based on the analysis of the structures alone.« less

Structures of MART-126/27–35 Peptide/HLA-A2 Complexes Reveal a Remarkable Disconnect between Antigen Structural Homology and T Cell Recognition

PubMed Central

Borbulevych, Oleg Y.; Insaidoo, Francis K.; Baxter, Tiffany K.; Powell, Daniel J.; Johnson, Laura A.; Restifo, Nicholas P.; Baker, Brian M.

2007-01-01

Small structural changes in peptides presented by major histocompatibility complex (MHC) molecules often result in large changes in immunogenicity, supporting the notion that T cell receptors are exquisitely sensitive to antigen structure. Yet there are striking examples of TCR recognition of structurally dissimilar ligands. The resulting unpredictability of how T cells will respond to different or modified antigens impacts both our understanding of the physical bases for TCR specificity as well as efforts to engineer peptides for immunomodulation. In cancer immunotherapy, epitopes and variants derived from the MART-1/Melan-A protein are widely used as clinical vaccines. Two overlapping epitopes spanning amino acid residues 26 through 35 are of particular interest: numerous clinical studies have been performed using variants of the MART-1 26–35 decamer, although only the 27–35 nonamer has been found on the surface of targeted melanoma cells. Here, we show that the 26–35 and 27–35 peptides adopt strikingly different conformations when bound to HLA-A2. Nevertheless, clonally distinct MART-126/27–35-reactive T cells show broad cross-reactivity towards these ligands. Simultaneously, however, many of the cross-reactive T cells remain unable to recognize anchor-modified variants with very subtle structural differences. These dichotomous observations challenge our thinking about how structural information on unligated peptide/MHC complexes should be best used when addressing questions of TCR specificity. Our findings also indicate that caution is warranted in the design of immunotherapeutics based on the MART-1 26/27–35 epitopes, as neither cross-reactivity nor selectivity is predictable based on the analysis of the structures alone. PMID:17719062

Shifts in microbial community structure and function in surface waters impacted by unconventional oil and gas wastewater revealed by metagenomics

USGS Publications Warehouse

Fahrenfeld, N.L.; Reyes, Hannah Delos; Eramo, Alessia; Akob, Denise M.; Mumford, Adam; Cozzarelli, Isabelle M.

2017-01-01

Unconventional oil and gas (UOG) production produces large quantities of wastewater with complex geochemistry and largely uncharacterized impacts on surface waters. In this study, we assessed shifts in microbial community structure and function in sediments and waters upstream and downstream from a UOG wastewater disposal facility. To do this, quantitative PCR for 16S rRNA and antibiotic resistance genes along with metagenomic sequencing were performed. Elevated conductivity and markers of UOG wastewater characterized sites sampled downstream from the disposal facility compared to background sites. Shifts in overall high level functions and microbial community structure were observed between background sites and downstream sediments. Increases in Deltaproteobacteria and Methanomicrobia and decreases in Thaumarchaeota were observed at downstream sites. Genes related to dormancy and sporulation and methanogenic respiration were 18–86 times higher at downstream, impacted sites. The potential for these sediments to serve as reservoirs of antimicrobial resistance was investigated given frequent reports of the use of biocides to control the growth of nuisance bacteria in UOG operations. A shift in resistance profiles downstream of the UOG facility was observed including increases in acrB and mexB genes encoding for multidrug efflux pumps, but not overall abundance of resistance genes. The observed shifts in microbial community structure and potential function indicate changes in respiration, nutrient cycling, and markers of stress in a stream impacted by UOG waste disposal operations.

Mapping Polymerization and Allostery of Hemoglobin S Using Point Mutations

PubMed Central

Weinkam, Patrick; Sali, Andrej

2014-01-01

Hemoglobin is a complex system that undergoes conformational changes in response to oxygen, allosteric effectors, mutations, and environmental changes. Here, we study allostery and polymerization of hemoglobin and its variants by application of two previously described methods: (i) AllosMod for simulating allostery dynamics given two allosterically related input structures and (ii) a machine-learning method for dynamics- and structure-based prediction of the mutation impact on allostery (Weinkam et al. J. Mol. Biol. 2013), now applicable to systems with multiple coupled binding sites such as hemoglobin. First, we predict the relative stabilities of substates and microstates of hemoglobin, which are determined primarily by entropy within our model. Next, we predict the impact of 866 annotated mutations on hemoglobin’s oxygen binding equilibrium. We then discuss a subset of 30 mutations that occur in the presence of the sickle cell mutation and whose effects on polymerization have been measured. Seven of these HbS mutations occur in three predicted druggable binding pockets that might be exploited to directly inhibit polymerization; one of these binding pockets is not apparent in the crystal structure but only in structures generated by AllosMod. For the 30 mutations, we predict that mutation-induced conformational changes within a single tetramer tend not to significantly impact polymerization; instead, these mutations more likely impact polymerization by directly perturbing a polymerization interface. Finally, our analysis of allostery allows us to hypothesize why hemoglobin evolved to have multiple subunits and a persistent low frequency sickle cell mutation. PMID:23957820

Decoding Mechanisms by which Silent Codon Changes Influence Protein Biogenesis and Function

PubMed Central

Bali, Vedrana; Bebok, Zsuzsanna

2015-01-01

Scope Synonymous codon usage has been a focus of investigation since the discovery of the genetic code and its redundancy. The occurrences of synonymous codons vary between species and within genes of the same genome, known as codon usage bias. Today, bioinformatics and experimental data allow us to compose a global view of the mechanisms by which the redundancy of the genetic code contributes to the complexity of biological systems from affecting survival in prokaryotes, to fine tuning the structure and function of proteins in higher eukaryotes. Studies analyzing the consequences of synonymous codon changes in different organisms have revealed that they impact nucleic acid stability, protein levels, structure and function without altering amino acid sequence. As such, synonymous mutations inevitably contribute to the pathogenesis of complex human diseases. Yet, fundamental questions remain unresolved regarding the impact of silent mutations in human disorders. In the present review we describe developments in this area concentrating on mechanisms by which synonymous mutations may affect protein function and human health. Purpose This synopsis illustrates the significance of synonymous mutations in disease pathogenesis. We review the different steps of gene expression affected by silent mutations, and assess the benefits and possible harmful effects of codon optimization applied in the development of therapeutic biologics. Physiological and medical relevance Understanding mechanisms by which synonymous mutations contribute to complex diseases such as cancer, neurodegeneration and genetic disorders, including the limitations of codon-optimized biologics, provides insight concerning interpretation of silent variants and future molecular therapies. PMID:25817479

The microgeographical patterns of morphological and molecular variation of a mixed ploidy population in the species complex Actinidia chinensis.

PubMed

Liu, Yifei; Li, Dawei; Yan, Ling; Huang, Hongwen

2015-01-01

Polyploidy and hybridization are thought to have significant impacts on both the evolution and diversification of the genus Actinidia, but the structure and patterns of morphology and molecular diversity relating to ploidy variation of wild Actinidia plants remain much less understood. Here, we examine the distribution of morphological variation and ploidy levels along geographic and environmental variables of a large mixed-ploidy population of the A. chinensis species complex. We then characterize the extent of both genetic and epigenetic diversity and differentiation exhibited between individuals of different ploidy levels. Our results showed that while there are three ploidy levels in this population, hexaploids were constituted the majority (70.3%). Individuals with different ploidy levels were microgeographically structured in relation to elevation and extent of niche disturbance. The morphological characters examined revealed clear difference between diploids and hexaploids, however tetraploids exhibited intermediate forms. Both genetic and epigenetic diversity were high but the differentiation among cytotypes was weak, suggesting extensive gene flow and/or shared ancestral variation occurred in this population even across ploidy levels. Epigenetic variation was clearly correlated with changes in altitudes, a trend of continuous genetic variation and gradual increase of epigenomic heterogeneities of individuals was also observed. Our results show that complex interactions between the locally microgeographical environment, ploidy and gene flow impact A. chinensis genetic and epigenetic variation. We posit that an increase in ploidy does not broaden the species habitat range, but rather permits A. chinensis adaptation to specific niches.

Evolution in Australia's mesic biome under past and future climates: Insights from a phylogenetic study of the Australian Rock Orchids (Dendrobium speciosum complex, Orchidaceae).

PubMed

Simpson, Lalita; Clements, Mark A; Crayn, Darren M; Nargar, Katharina

2018-01-01

The Australian mesic biome spans c. 33° of latitude along Australia's east coast and ranges and is dissected by historical and contemporary biogeographical barriers. To investigate the impact of these barriers on evolutionary diversification and to predict the impact of future climate change on the distribution of species and genetic diversity within this biome, we inferred phylogenetic relationships within the Dendrobium speciosum complex (Orchidaceae) across its distribution and undertook environmental niche modelling (ENM) under past, contemporary and projected future climates. Neighbor Joining tree inference, NeighborNet and Structure analyses of Amplified Fragment Length Polymorphism (AFLP) profiles for D. speciosum sampled from across its distribution showed that the complex consists of two highly supported main groups that are geographically separated by the St. Lawrence gap, an area of dry sclerophyll forest and woodland. The presence of several highly admixed individuals identified by the Structure analysis provided evidence of genetic exchange between the two groups across this gap. Whereas previous treatments have recognised between one to eleven species, the molecular results support the taxonomic treatment of the complex as a single species with two subspecies. The ENM analysis supported the hypothesis that lineage divergence within the complex was driven by past climatic changes. The St. Lawrence gap represented a stronger biogeographic barrier for the D. speciosum complex during the cool and dry glacial climatic conditions of the Pleistocene than under today's interglacial conditions. Shallow genetic divergence was found within the two lineages, which mainly corresponded to three other biogeographic barriers: the Black Mountain Corridor, Glass House Mountains and the Hunter Valley. Our ENM analyses provide further support for the hypothesis that biogeographic barriers along Australia's east coast were somewhat permeable to genetic exchange due to past episodic range expansions and contractions caused by climatic change resulting in recurrent contact between previously isolated populations. An overall southward shift in the distribution of the complex under future climate scenarios was predicted, with the strongest effects on the northern lineage. This study contributes to our understanding of the factors shaping biodiversity patterns in Australia's mesic biome. Copyright © 2017 Elsevier Inc. All rights reserved.

Numerical Investigations of Interactions between the Knee-Thigh-Hip Complex with Vehicle Interior Structures.

PubMed

Kim, Yong Sun; Choi, Hyeong Ho; Cho, Young Nam; Park, Yong Jae; Lee, Jong B; Yang, King H; King, Albert I

2005-11-01

Although biomechanical studies on the knee-thigh-hip (KTH) complex have been extensive, interactions between the KTH and various vehicular interior design parameters in frontal automotive crashes for newer models have not been reported in the open literature to the best of our knowledge. A 3D finite element (FE) model of a 50(th) percentile male KTH complex, which includes explicit representations of the iliac wing, acetabulum, pubic rami, sacrum, articular cartilage, femoral head, femoral neck, femoral condyles, patella, and patella tendon, has been developed to simulate injuries such as fracture of the patella, femoral neck, acetabulum, and pubic rami of the KTH complex. Model results compared favorably against regional component test data including a three-point bending test of the femur, axial loading of the isolated knee-patella, axial loading of the KTH complex, axial loading of the femoral head, and lateral loading of the isolated pelvis. The model was further integrated into a Wayne State University upper torso model and validated against data obtained from whole body sled tests. The model was validated against these experimental data over a range of impact speeds, impactor masses and boundary conditions. Using Design Of Experiment (DOE) methods based on Taguchi's approach and the developed FE model of the whole body, including the KTH complex, eight vehicular interior design parameters, namely the load limiter force, seat belt elongation, pretensioner inlet amount, knee-knee bolster distance, knee bolster angle, knee bolster stiffness, toe board angle and impact speed, each with either two or three design levels, were simulated to predict their respective effects on the potential of KTH injury in frontal impacts. Simulation results proposed best design levels for vehicular interior design parameters to reduce the injury potential of the KTH complex due to frontal automotive crashes. This study is limited by the fact that prediction of bony fracture was based on an element elimination method available in the LS-DYNA code. No validation study was conducted to determine if this method is suitable when simulating fractures of biological tissues. More work is still needed to further validate the FE model of the KTH complex to increase its reliability in the assessment of various impact loading conditions associated with vehicular crash scenarios.

The impact of natural transformation on adaptation in spatially structured bacterial populations.

PubMed

Moradigaravand, Danesh; Engelstädter, Jan

2014-06-20

Recent studies have demonstrated that natural transformation and the formation of highly structured populations in bacteria are interconnected. In spite of growing evidence about this connection, little is known about the dynamics of natural transformation in spatially structured bacterial populations. In this work, we model the interdependency between the dynamics of the bacterial gene pool and those of environmental DNA in space to dissect the effect of transformation on adaptation. Our model reveals that even with only a single locus under consideration, transformation with a free DNA fragment pool results in complex adaptation dynamics that do not emerge in previous models focusing only on the gene shuffling effect of transformation at multiple loci. We demonstrate how spatial restriction on population growth and DNA diffusion in the environment affect the impact of transformation on adaptation. We found that in structured bacterial populations intermediate DNA diffusion rates predominantly cause transformation to impede adaptation by spreading deleterious alleles in the population. Overall, our model highlights distinctive evolutionary consequences of bacterial transformation in spatially restricted compared to planktonic bacterial populations.

Fishermen Follow Fine-scaled Physical Ocean Features For Finance

NASA Astrophysics Data System (ADS)

Fuller, E.; Watson, J. R.; Samhouri, J.; Castruccio, F. S.

2016-12-01

The seascapes on which many millions of people make their living and secure food have complex and dynamic spatial features - the figurative hills and valleys - that control where and how people work at sea. Here, we quantify the physical mosaic of the surface ocean by identifying Lagrangian Coherent Structures for a whole seascape - the California Current - and assess their impact on the spatial distribution of fishing. We show that there is a mixed response: some fisheries track these physical features, and others avoid them. This spatial behavior maps to economic impacts: we find that tuna fishermen can expect to make three times more revenue per trip if fishing occurs on strong coherent structures. These results highlight a connection between the physical state of the oceans, the spatial patterns of human activity and ultimately the economic prosperity of coastal communities.

Delivery of Functionality in Complex Food Systems: Physically Inspired Approaches from Nanoscale to Microscale, Wageningen 18–21 October 2009

PubMed Central

Ubbink, Job; Duchateau, Guus

2010-01-01

The Wageningen Delivery of Functionality symposium covered all aspects involved with food structural design to arrive at high-quality foods which meet demanding customer expectations and regulatory requirements. The symposium integrated aspects from the structural organization of foods at molecular and supramolecular scales to dedicated techniques required to describe and visualize such structures, the gastro-intestinal events and how to model these in a laboratory setting, and finally the impact those food structures and ingredients have on the consumer’s physiology and on the human perception. As an interdisciplinary platform, bringing together more than 160 researchers from academia and industry, the symposium meanwhile fulfills an important role in the food science community. PMID:21125000

Uncovering three-dimensional gradients in fibrillar orientation in an impact-resistant biological armour.

PubMed

Zhang, Y; Paris, O; Terrill, N J; Gupta, H S

2016-05-23

The complex hierarchical structure in biological and synthetic fibrous nanocomposites entails considerable difficulties in the interpretation of the crystallographic texture from diffraction data. Here, we present a novel reconstruction method to obtain the 3D distribution of fibres in such systems. An analytical expression is derived for the diffraction intensity from fibres, explaining the azimuthal intensity distribution in terms of the angles of the three dimensional fibre orientation distributions. The telson of stomatopod (mantis shrimp) serves as an example of natural biological armour whose high impact resistance property is believed to arise from the hierarchical organization of alpha chitin nanofibrils into fibres and twisted plywood (Bouligand) structures at the sub-micron and micron scale. Synchrotron microfocus scanning X-ray diffraction data on stomatopod telson were used as a test case to map the 3D fibre orientation across the entire tissue section. The method is applicable to a range of biological and biomimetic structures with graded 3D fibre texture at the sub-micron and micron length scales.

Uncovering three-dimensional gradients in fibrillar orientation in an impact-resistant biological armour

NASA Astrophysics Data System (ADS)

Zhang, Y.; Paris, O.; Terrill, N. J.; Gupta, H. S.

2016-05-01

The complex hierarchical structure in biological and synthetic fibrous nanocomposites entails considerable difficulties in the interpretation of the crystallographic texture from diffraction data. Here, we present a novel reconstruction method to obtain the 3D distribution of fibres in such systems. An analytical expression is derived for the diffraction intensity from fibres, explaining the azimuthal intensity distribution in terms of the angles of the three dimensional fibre orientation distributions. The telson of stomatopod (mantis shrimp) serves as an example of natural biological armour whose high impact resistance property is believed to arise from the hierarchical organization of alpha chitin nanofibrils into fibres and twisted plywood (Bouligand) structures at the sub-micron and micron scale. Synchrotron microfocus scanning X-ray diffraction data on stomatopod telson were used as a test case to map the 3D fibre orientation across the entire tissue section. The method is applicable to a range of biological and biomimetic structures with graded 3D fibre texture at the sub-micron and micron length scales.

Modeling of time dependent localized flow shear stress and its impact on cellular growth within additive manufactured titanium implants

PubMed Central

Zhang, Ziyu; Yuan, Lang; Lee, Peter D; Jones, Eric; Jones, Julian R

2014-01-01

Bone augmentation implants are porous to allow cellular growth, bone formation and fixation. However, the design of the pores is currently based on simple empirical rules, such as minimum pore and interconnects sizes. We present a three-dimensional (3D) transient model of cellular growth based on the Navier–Stokes equations that simulates the body fluid flow and stimulation of bone precursor cellular growth, attachment, and proliferation as a function of local flow shear stress. The model's effectiveness is demonstrated for two additive manufactured (AM) titanium scaffold architectures. The results demonstrate that there is a complex interaction of flow rate and strut architecture, resulting in partially randomized structures having a preferential impact on stimulating cell migration in 3D porous structures for higher flow rates. This novel result demonstrates the potential new insights that can be gained via the modeling tool developed, and how the model can be used to perform what-if simulations to design AM structures to specific functional requirements. PMID:24664988

Uncovering three-dimensional gradients in fibrillar orientation in an impact-resistant biological armour

PubMed Central

Zhang, Y.; Paris, O.; Terrill, N. J.; Gupta, H. S.

2016-01-01

The complex hierarchical structure in biological and synthetic fibrous nanocomposites entails considerable difficulties in the interpretation of the crystallographic texture from diffraction data. Here, we present a novel reconstruction method to obtain the 3D distribution of fibres in such systems. An analytical expression is derived for the diffraction intensity from fibres, explaining the azimuthal intensity distribution in terms of the angles of the three dimensional fibre orientation distributions. The telson of stomatopod (mantis shrimp) serves as an example of natural biological armour whose high impact resistance property is believed to arise from the hierarchical organization of alpha chitin nanofibrils into fibres and twisted plywood (Bouligand) structures at the sub-micron and micron scale. Synchrotron microfocus scanning X-ray diffraction data on stomatopod telson were used as a test case to map the 3D fibre orientation across the entire tissue section. The method is applicable to a range of biological and biomimetic structures with graded 3D fibre texture at the sub-micron and micron length scales. PMID:27211574

Synthesis, structure, and excited state kinetics of heteroleptic Cu(i) complexes with a new sterically demanding phenanthroline ligand

DOE PAGES

Kohler, Lars; Hadt, Ryan G.; Hayes, Dugan; ...

2017-09-25

In this paper we describe the synthesis of a new phenanthroline ligand, 2,9-di(2,4,6-tri-isopropyl-phenyl)-1,10-phenanthroline (bL2) and its use as the blocking ligand in the preparation of two new heteroleptic Cu(I)diimine complexes. Analysis of the CuHETPHEN single crystal structures shows a distinct distortion from an ideal tetrahedral geometry around the Cu(I) center, forced by the secondary phenanthroline ligand rotating to accommodate the isopropyl groups of bL2. The increased steric bulk of bL2 as compared to the more commonly used 2,9-dimesityl-1,10-phenanthroline blocking ligand prohibits intramolecular ligand–ligand interaction, which is unique among CuHETPHEN complexes. The ground state optical and redox properties of CuHETPHEN complexesmore » are responsive to the substitution on the blocking ligand even though the differences in structure are far removed from the Cu(I) center. Transient optical spectroscopy was used to understand the excited state kinetics in both coordinating and non-coordinating solvents following visible excitation. Substitution of the blocking phenanthroline ligand has a significant impact on the 3MLCT decay and can be used to increase the excited state lifetime by 50%. Electronic structure calculations established relationships between ground and excited state properties, and general entatic state concepts are discussed for copper photosensitizers. This work contributes to the growing library of CuHETPHEN complexes and broadens the fundamental understanding of their ground and excited state properties.« less

Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O -Methyltransferases.

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

Bernard, Steffen M.; Akey, David L.; Tripathi, Ashootosh

Sugar moieties in natural products are frequently modified by O-methylation. In the biosynthesis of the macrolide antibiotic mycinamicin, methylation of a 6'-deoxyallose substituent occurs in a stepwise manner first at the 2'- and then the 3'-hydroxyl groups to produce the mycinose moiety in the final product. The timing and placement of the O-methylations impact final stage C-H functionalization reactions mediated by the P450 monooxygenase MycG. The structural basis of pathway ordering and substrate specificity is unknown. A series of crystal structures of MycF, the 3'-O-methyltransferase, including the free enzyme and complexes with S-adenosyl homocysteine (SAH), substrate, product, and unnatural substrates,more » show that SAM binding induces substantial ordering that creates the binding site for the natural substrate, and a bound metal ion positions the substrate for catalysis. A single amino acid substitution relaxed the 2'-methoxy specificity but retained regiospecificity. The engineered variant produced a new mycinamicin analog, demonstrating the utility of structural information to facilitate bioengineering approaches for the chemoenzymatic synthesis of complex small molecules containing modified sugars. Using the MycF substrate complex and the modeled substrate complex of a 4'-specific homolog, active site residues were identified that correlate with the 3'- or 4'- specificity of MycF family members and define the protein and substrate features that direct the regiochemistry of methyltransfer. Lastly, this classification scheme will be useful in the annotation of new secondary metabolite pathways that utilize this family of enzymes.« less

Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O -Methyltransferases.

DOE PAGES

Bernard, Steffen M.; Akey, David L.; Tripathi, Ashootosh; ...

2015-02-18

Sugar moieties in natural products are frequently modified by O-methylation. In the biosynthesis of the macrolide antibiotic mycinamicin, methylation of a 6'-deoxyallose substituent occurs in a stepwise manner first at the 2'- and then the 3'-hydroxyl groups to produce the mycinose moiety in the final product. The timing and placement of the O-methylations impact final stage C-H functionalization reactions mediated by the P450 monooxygenase MycG. The structural basis of pathway ordering and substrate specificity is unknown. A series of crystal structures of MycF, the 3'-O-methyltransferase, including the free enzyme and complexes with S-adenosyl homocysteine (SAH), substrate, product, and unnatural substrates,more » show that SAM binding induces substantial ordering that creates the binding site for the natural substrate, and a bound metal ion positions the substrate for catalysis. A single amino acid substitution relaxed the 2'-methoxy specificity but retained regiospecificity. The engineered variant produced a new mycinamicin analog, demonstrating the utility of structural information to facilitate bioengineering approaches for the chemoenzymatic synthesis of complex small molecules containing modified sugars. Using the MycF substrate complex and the modeled substrate complex of a 4'-specific homolog, active site residues were identified that correlate with the 3'- or 4'- specificity of MycF family members and define the protein and substrate features that direct the regiochemistry of methyltransfer. Lastly, this classification scheme will be useful in the annotation of new secondary metabolite pathways that utilize this family of enzymes.« less

Chromospheric Activity in Cool Luminous Stars

NASA Astrophysics Data System (ADS)

Dupree, Andrea

2018-04-01

Spatially unresolved spectra of giant and supergiant stars demonstrate ubiquitous signatures of chromospheric activity, variable outflows, and winds. The advent of imaging techniques and spatially resolved spectra reveal complex structures in these extended stellar atmospheres that we do not understand. The presence and behavior of these atmospheres is wide ranging and impacts stellar activity, magnetic fields, angular momentum loss, abundance determinations, and the understanding of stellar cluster populations.

Should We Start Worrying? Mass Higher Education, Skill Demand and the Increasingly Complex Landscape of Young Graduates' Employment

ERIC Educational Resources Information Center

Figueiredo, Hugo; Biscaia, Ricardo; Rocha, Vera; Teixeira, Pedro

2017-01-01

Recent decades have seen a massive expansion in higher education (HE), fuelled by high expectations about its private benefits. This has raised concerns about the impact on the employability of recent graduates and the potential mismatches between their skills and the competences required by the job structure. Equally, it could set the ground for…

A Local to National Scale Catchment Model Simulation Framework for Hydrological Predictions and Impact Assessments Under Uncertainty

NASA Astrophysics Data System (ADS)

Freer, Jim; Coxon, Gemma; Quinn, Niall; Dunne, Toby; Lane, Rosie; Bates, Paul; Wagener, Thorsten; Woods, Ross; Neal, Jeff; Howden, Nicholas; Musuuza, Jude

2017-04-01

There is a huge challenge in developing hydrological model structures that can be used for hypothesis testing, prediction, impact assessment and risk analyses over a wide range of spatial scales. There are many reasons why this is the case, from computational demands, to how we define and characterize different features and pathway connectivities in the landscape, that differ depending on the objectives of the study. However there is certainly a need more than ever to explore the trade-offs between the complexity of modelling applied (i.e. spatial discretization, levels of process representation, complexity of landscape representation) compared to the benefits realized in terms of predictive capability and robustness of these predictions during hydrological extremes and during change. Furthermore, there is a further balance, particularly associated with prediction uncertainties, in that it is not desirable to have modelling systems that are too complex compared to the observed data that would ever be available to apply them. This is particularly the case when models are applied to quantify national impact assessments, especially if these are based on validation assessments from smaller more detailed case studies. Therefore the hydrological community needs modelling tools and approaches that enable these trade-offs to be explored and to understand the level of representation needed in models to be 'fit-for-purpose' for a given application. This paper presents a catchment scale national modelling framework based on Dynamic-TOPMODEL specifically setup to fulfil these aims. A key component of the modelling framework is it's structural flexibility, as is the ability to assess model outputs using Monte Carlo simulation techniques. The model build has been automated to work at any spatial scale to the national scale, and within that to control the level of spatial discretisation and connectivity of locally accounted landscape elements in the form of hydrological response units (HRU's). This allows for the explicit consideration of spatial rainfall fields, landscape, soils and geological attributes and the spatial connectivity of hydrological flow pathways to explore what level of modelling complexity we need for different prediction problems. We shall present this framework and show how it can be used in flood and drought risk analyses as well as include attributes and features within the landscape to explore societal and climate impacts effectively within an uncertainty analyses framework.

Impact Lithologies and Post-Impact Hydrothermal Alteration Exposed by the Chicxulub Scientific Drilling Project, Yaxcopoil, Mexico

NASA Technical Reports Server (NTRS)

Kring, David A.; Zurcher, Lukas; Horz, Friedrich

2003-01-01

The Chicxulub Scientific Drilling Project recovered a continuous core from the Yaxcopoil-1 (YAX-1) borehole, which is approx.60-65 km from the center of the Chicxulub structure, approx.15 km beyond the limit of the estimated approx.50 km radius transient crater (excavation cavity), but within the rim of the estimated approx.90 km radius final crater. Approximately approx.100 m of melt-bearing impactites were recoverd from a depth of 794 to 895 m, above approx.600 m of underlying megablocks of Cretaceous target sediments, before bottoming at 1511 m. Compared to lithologies at impact craters like the Ries, the YAX-1 impactite sequence is incredibly rich in impact melts of unusual textural variety and complexity. The impactite sequence has also been altered by hydrothermal activity that may have largely been produced by the impact event.

Hydration Differences Explain the Large Variations in the Complexation Thermodynamics of Modified γ-Cyclodextrins with Bile Salts.

PubMed

Køhler, Jonatan; Schönbeck, Christian; Westh, Peter; Holm, René

2016-01-28

The structure and thermodynamics of inclusion complexes of seven different γ-cyclodextrins (γCDs) and three biologically relevant bile salts (BS) were investigated in the present study. Natural γCD and six modified γCDs [two methyl-γCDs, one sulfobutyl ether-γCD (SBEγCD), and three 2-hydroxypropyl-γCDs (HPγCD)] and their complexes with BS were investigated by isothermal titration calorimetry, NMR, and molecular dynamics simulations. With the exception of the fully methylated γCD, which did not bind the BSs investigated, all of the γCDs formed 1:1 complexes with the BS, and the structures were similar to those with natural γCD; i.e., the modifications of the γCD had limited structural impact on the formation of complexes. Isothermal titration calorimetry was carried out over in the temperature interval 5-55 °C to enable the calculation of the stability constant (K) and the thermodynamic parameters enthalpy (ΔH°), entropy (ΔS°), and heat capacity (ΔCp°). The stability constants decreased with an increased degree of substitution (DS), with methyl substituents having a lower effect on the stability constant than the sulfobutyl ether and hydroxypropyl substituents on the stability constants. Enthalpy-entropy compensation was observed, since both enthalpy and entropy increased with the degree of substitution, which may reflect dehydration of the hydrophobic surface on both CD and BS. Calculations based on ΔCp° data suggested that each of the substituents dehydrated 10-20 (hydroxypropyl), 22-33 (sulfobutyl ether), and 10-15 Å(2) (methyl) of the BS surface area, in reasonable agreement with estimates from the molecular dynamics simulations. Combined with earlier investigations on modified βCDs, these results indicate general trends of the substituents on the thermodynamics of complex formation.

Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase.

PubMed

Godoy, Andre S; Lima, Gustavo M A; Oliveira, Ketllyn I Z; Torres, Naiara U; Maluf, Fernando V; Guido, Rafael V C; Oliva, Glaucius

2017-03-27

The current Zika virus (ZIKV) outbreak became a global health threat of complex epidemiology and devastating neurological impacts, therefore requiring urgent efforts towards the development of novel efficacious and safe antiviral drugs. Due to its central role in RNA viral replication, the non-structural protein 5 (NS5) RNA-dependent RNA-polymerase (RdRp) is a prime target for drug discovery. Here we describe the crystal structure of the recombinant ZIKV NS5 RdRp domain at 1.9 Å resolution as a platform for structure-based drug design strategy. The overall structure is similar to other flaviviral homologues. However, the priming loop target site, which is suitable for non-nucleoside polymerase inhibitor design, shows significant differences in comparison with the dengue virus structures, including a tighter pocket and a modified local charge distribution.

Spatial and Temporal Variations of the K/T Boundary Record: Implications Concerning Possible Megaseiche in the Reworking Processes

NASA Astrophysics Data System (ADS)

Maurrasse, F. J.; Lamolda, M. A.

2004-05-01

Major physical disruptions characterize the sedimentary record of the K/T boundary (KTB) layer from different sites in the Southern Peninsula of Haiti as well as in diverse areas of the world. These disturbances are most important within the vicinity of the crater at Chicxulub, Yucatan, Mexico, and 65 million years ago that can be chronologically correlated with the bolide impact postulated by Alvarez et al (1981). At all sites the KTB layer shows spatial and temporal differences even within short distances, and the complexity of its characteristic signals includes serious micropaleontological inconsistencies with mixed biotic assemblages that perpetuate divergence of interpretations, thereby they raise doubts on the timing and real causal mechanisms of the biotic turnover that characterizes the boundary. Indeed, often the biostratigraphic signals are difficult to resolve because of hiatuses, or sediments are highly reworked, and distinct taxonomic successions are not clearly defined. Well defined as well as cryptic primary sedimentary structures within the boundary layer are constant at all outcrops, and they indicate complex, multiphase, subaqueous flow processes that affected sedimentation of the KTB layer at different times. The structures are known to characterize oscillatory wave processes that affect cohesionless sediments, and such water motion is only known to be associated with seiche as a modern analog that may have generated the amalgamation recorded at the KTB layer. We believe that "Megaseiche" associated with the KT impact event and its subsequent effects provides a plausible unifying mechanism to explain how various levels of the water column in different large basins can oscillate to develop the structures observed. Because of the magnitude of the bolide impact that generated initial tsunamis and large seismic waves worldwide, megaseiches of different frequencies and nodal modes must have developed in the oceans worldwide to leave different signatures in the mixing pattern. Most importantly, the heterogeneity must have been further intensified in subsequent times when more localized megaseiches developed in independent basins at different times during major crustal readjustment. These phenomena may explain the heterogeneity of patterns and apparent irreconcilable discrepancies observed at KTB sites worldwide, as the structures represent a record of water movement and resuspension of sediment of different intensities and at different timesat certain locations. As observed in smaller-scale modern seiche, various oscillatory modes controlled the duration and attenuation of the water movement, the magnitude of bottom traction and resuspension that led to complex sedimentary structures and reworking patterns of the sediments and microfossils.

Impacts of Population Structure and Analytical Models in Genome-Wide Association Studies of Complex Traits in Forest Trees: A Case Study in Eucalyptus globulus

PubMed Central

Garcia, Martín N.; Acuña, Cintia; Borralho, Nuno M. G.; Grattapaglia, Dario; Marcucci Poltri, Susana N.

2013-01-01

The promise of association genetics to identify genes or genomic regions controlling complex traits has generated a flurry of interest. Such phenotype-genotype associations could be useful to accelerate tree breeding cycles, increase precision and selection intensity for late expressing, low heritability traits. However, the prospects of association genetics in highly heterozygous undomesticated forest trees can be severely impacted by the presence of cryptic population and pedigree structure. To investigate how to better account for this, we compared the GLM and five combinations of the Unified Mixed Model (UMM) on data of a low-density genome-wide association study for growth and wood property traits carried out in a Eucalyptus globulus population (n = 303) with 7,680 Diversity Array Technology (DArT) markers. Model comparisons were based on the degree of deviation from the uniform distribution and estimates of the mean square differences between the observed and expected p-values of all significant marker-trait associations detected. Our analysis revealed the presence of population and family structure. There was not a single best model for all traits. Striking differences in detection power and accuracy were observed among the different models especially when population structure was not accounted for. The UMM method was the best and produced superior results when compared to GLM for all traits. Following stringent correction for false discoveries, 18 marker-trait associations were detected, 16 for tree diameter growth and two for lignin monomer composition (S∶G ratio), a key wood property trait. The two DArT markers associated with S∶G ratio on chromosome 10, physically map within 1 Mbp of the ferulate 5-hydroxylase (F5H) gene, providing a putative independent validation of this marker-trait association. This study details the merit of collectively integrate population structure and relatedness in association analyses in undomesticated, highly heterozygous forest trees, and provides additional insights into the nature of complex quantitative traits in Eucalyptus. PMID:24282578

Brittle materials at high-loading rates: an open area of research

NASA Astrophysics Data System (ADS)

Forquin, Pascal

2017-01-01

Brittle materials are extensively used in many civil and military applications involving high-strain-rate loadings such as: blasting or percussive drilling of rocks, ballistic impact against ceramic armour or transparent windshields, plastic explosives used to damage or destroy concrete structures, soft or hard impacts against concrete structures and so on. With all of these applications, brittle materials are subjected to intense loadings characterized by medium to extremely high strain rates (few tens to several tens of thousands per second) leading to extreme and/or specific damage modes such as multiple fragmentation, dynamic cracking, pore collapse, shearing, mode II fracturing and/or microplasticity mechanisms in the material. Additionally, brittle materials exhibit complex features such as a strong strain-rate sensitivity and confining pressure sensitivity that justify expending greater research efforts to understand these complex features. Currently, the most popular dynamic testing techniques used for this are based on the use of split Hopkinson pressure bar methodologies and/or plate-impact testing methods. However, these methods do have some critical limitations and drawbacks when used to investigate the behaviour of brittle materials at high loading rates. The present theme issue of Philosophical Transactions A provides an overview of the latest experimental methods and numerical tools that are currently being developed to investigate the behaviour of brittle materials at high loading rates. This article is part of the themed issue 'Experimental testing and modelling of brittle materials at high strain rates'.

Brittle materials at high-loading rates: an open area of research

PubMed Central

2017-01-01

Brittle materials are extensively used in many civil and military applications involving high-strain-rate loadings such as: blasting or percussive drilling of rocks, ballistic impact against ceramic armour or transparent windshields, plastic explosives used to damage or destroy concrete structures, soft or hard impacts against concrete structures and so on. With all of these applications, brittle materials are subjected to intense loadings characterized by medium to extremely high strain rates (few tens to several tens of thousands per second) leading to extreme and/or specific damage modes such as multiple fragmentation, dynamic cracking, pore collapse, shearing, mode II fracturing and/or microplasticity mechanisms in the material. Additionally, brittle materials exhibit complex features such as a strong strain-rate sensitivity and confining pressure sensitivity that justify expending greater research efforts to understand these complex features. Currently, the most popular dynamic testing techniques used for this are based on the use of split Hopkinson pressure bar methodologies and/or plate-impact testing methods. However, these methods do have some critical limitations and drawbacks when used to investigate the behaviour of brittle materials at high loading rates. The present theme issue of Philosophical Transactions A provides an overview of the latest experimental methods and numerical tools that are currently being developed to investigate the behaviour of brittle materials at high loading rates. This article is part of the themed issue ‘Experimental testing and modelling of brittle materials at high strain rates’. PMID:27956517

Brittle materials at high-loading rates: an open area of research.

PubMed

Forquin, Pascal

2017-01-28

Brittle materials are extensively used in many civil and military applications involving high-strain-rate loadings such as: blasting or percussive drilling of rocks, ballistic impact against ceramic armour or transparent windshields, plastic explosives used to damage or destroy concrete structures, soft or hard impacts against concrete structures and so on. With all of these applications, brittle materials are subjected to intense loadings characterized by medium to extremely high strain rates (few tens to several tens of thousands per second) leading to extreme and/or specific damage modes such as multiple fragmentation, dynamic cracking, pore collapse, shearing, mode II fracturing and/or microplasticity mechanisms in the material. Additionally, brittle materials exhibit complex features such as a strong strain-rate sensitivity and confining pressure sensitivity that justify expending greater research efforts to understand these complex features. Currently, the most popular dynamic testing techniques used for this are based on the use of split Hopkinson pressure bar methodologies and/or plate-impact testing methods. However, these methods do have some critical limitations and drawbacks when used to investigate the behaviour of brittle materials at high loading rates. The present theme issue of Philosophical Transactions A provides an overview of the latest experimental methods and numerical tools that are currently being developed to investigate the behaviour of brittle materials at high loading rates.This article is part of the themed issue 'Experimental testing and modelling of brittle materials at high strain rates'. © 2016 The Author(s).

Integrated interpretation of geophysical data of the Paleozoic structure in the northwestern part of the Siljan Ring impact crater, central Sweden

NASA Astrophysics Data System (ADS)

Muhamad, Harbe; Juhlin, Christopher; Malehmir, Alireza; Sopher, Daniel

2018-01-01

The Siljan Ring impact structure is the largest known impact structure in Europe and is Late Devonian in age. It contains a central uplift that is about 20-30 km in diameter and is surrounded by a ring-shaped depression. The Siljan area is one of the few areas in Sweden where the Paleozoic sequence has not been completely eroded, making it an important location for investigation of the geological and tectonic history of Baltica during the Paleozoic. The Paleozoic strata in this area also provide insight into the complex deformation processes associated with the impact. In this study we focus on the northwestern part of the Siljan Ring, close to the town of Orsa, with the main objective of characterizing the subsurface Paleozoic succession and uppermost Precambrian crystalline rocks along a series of seismic reflection profiles, some of which have not previously been published. We combine these seismic data with gravity and magnetic data and seismic traveltime tomography results to produce an integrated interpretation of the subsurface in the area. Our interpretation shows that the Paleozoic sequence in this area is of a relatively constant thickness, with a total thickness typically between 300 and 500 m. Faulting appears to be predominantly extensional, which we interpret to have occurred during the modification stage of the impact. Furthermore, based on the geophysical data in this area, we interpret that the impact related deformation to differ in magnitude and style from other parts of the Siljan Ring.

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

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Lunar and Planetary Science XXXV: Impact-Related Deposits

NASA Technical Reports Server (NTRS)

2004-01-01

The session "Impact-Related Deposits" included:Evidence for a Lightning-Strike Origin of the Edeowie Glass; 57Fe M ssbauer Spectroscopy of Fulgurites: Implications for Chemical Reduction; Ca-Metasomatism in Crystalline Target Rocks from the Charlevoix Structure, Quebec, Canada: Evidence for Impact-related Hydrothermal Activity; Magnetic Investigations of Breccia Veins and Basement Rocks from Roter Kamm Crater and Surrounding Region, Namibia; Petrologic Complexities of the Manicouagan Melt Sheet: Implications for 40Ar-39Ar Geochronology; Laser Argon Dating of Melt Breccias from the Siljan Impact Structure, Sweden: Implications for Possible Relationship to Late Devonian Extinction Events; Lunar Impact Crater, India: Occurrence of a Basaltic Suevite?; Age of the Lunar Impact Crater, India: First Results from Fission Track Dating; The Fluidized Chicxulub Ejecta Blanket, Mexico: Implications for Mars; Low Velocity Ejection of Boulders from Small Lunar Craters: Ground Truth for Asteroid Surfaces; Ejecta and Secondary Crater Distributions of Tycho Crater: Effects of an Oblique Impact; Potassium Isotope Systematics of Crystalline Lunar Spherules from Apollo 16; Late Paleocene Spherules from the North Sea: Probable Sea Floor Precipitates: A Silverpit Provenance Unproven; A Lithological Investigation of Marine Strata from the Triassic-Jurassic Boundary Interval, Queen Charlotte Islands, British Columbia, Including a Search for Shocked Quartz; Triassic Cratered Cobbles: Shock Effects or Tectonic Pressure?; Regional Variations of Trace Element Composition Within the Australasian Tektite Strewn Field; Cretaceous-Tertiary Boundary Microtektite-bearing Sands and Tsunami Beds, Alabama Gulf Coastal Plain; Sand Lobes on Stewart Island as Probable Impact-Tsunami Deposits; Distal Impact Ejecta, Uppermost Eocene, Texas Coastal Plain; and Continental Impact Debris in the Eltanin Impact Layer.

Structure-reactivity relationships in the hydrogenation of carbon dioxide with ruthenium complexes bearing pyridinylazolato ligands.

PubMed

Muller, Keven; Sun, Yu; Heimermann, Andreas; Menges, Fabian; Niedner-Schatteburg, Gereon; van Wüllen, Christoph; Thiel, Werner R

2013-06-10

Pyridinylazolato (N-N') ruthenium(II) complexes of the type [(N-N')RuCl(PMe3)3] have been obtained in high yields by treating the corresponding functionalised azolylpyridines with [RuCl2 (PMe3)4] in the presence of a base. (15)N NMR spectroscopy was used to elucidate the electronic influence of the substituents attached to the azolyl ring. The findings are in agreement with slight differences in the bond lengths of the ruthenium complexes. Furthermore, the electronic nature of the azolate moiety modulates the catalytic activity of the ruthenium complexes in the hydrogenation of carbon dioxide under supercritical conditions and in the transfer hydrogenation of acetophenone. DFT calculations were performed to shed light on the mechanism of the hydrogenation of carbon dioxide and to clarify the impact of the electronic nature of the pyridinylazolate ligands. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Geologic columns for the ICDP-USGS Eyreville B core, Chesapeake Bay impact structure: Impactites and crystalline rocks, 1766 to 1096 m depth

USGS Publications Warehouse

Horton, J. Wright; Gibson, R.L.; Reimold, W.U.; Wittmann, A.; Gohn, G.S.; Edwards, L.E.

2009-01-01

The International Continental Scientific Drilling Program (ICDP)-U.S. Geological Survey (USGS) Eyreville drill cores from the Chesapeake Bay impact structure provide one of the most complete geologic sections ever obtained from an impact structure. This paper presents a series of geologic columns and descriptive lithologic information for the lower impactite and crystalline-rock sections in the cores. The lowermost cored section (1766-1551 m depth) is a complex assemblage of mica schists that commonly contain graphite and fibrolitic sillimanite, intrusive granite pegmatites that grade into coarse granite, and local zones of mylonitic deformation. This basement-derived section is variably overprinted by brittle cataclastic fabrics and locally cut by dikes of polymict impact breccia, including several suevite dikes. An overlying succession of suevites and lithic impact breccias (1551-1397 m) includes a lower section dominated by polymict lithic impact breccia with blocks (up to 17 m) and boulders of cataclastic gneiss and an upper section (above 1474 m) of suevites and clast-rich impact melt rocks. The uppermost suevite is overlain by 26 m (1397-1371 m) of gravelly quartz sand that contains an amphibolite block and boulders of cataclasite and suevite. Above the sand, a 275-m-thick allochthonous granite slab (1371-1096 m) includes gneissic biotite granite, fine- and medium-to-coarse-grained biotite granites, and red altered granite near the base. The granite slab is overlain by more gravelly sand, and both are attributed to debris-avalanche and/or rockslide deposition that slightly preceded or accompanied seawater-resurge into the collapsing transient crater. ?? 2009 The Geological Society of America.

Modeling of the Central Magnetic Anomaly at Haughton Impact Structure, Canada

NASA Astrophysics Data System (ADS)

Quesnel, Y.; Gattacceca, J.; Osinski, G. R.; Rochette, P.

2011-12-01

Located on Devon Island, Nunavut, Canada, the 23-km diameter Haughton impact structure is one of the best-preserved medium-size complex impact structures on Earth. The impact occurred ~39 Ma ago into a target formation composed of an ~2-km thick sequence of Lower Paleozoic sedimentary rocks of the Arctic Platform overlying Precambrian metamorphic basement of the Canadian Shield (Osinski et al., 2005). Clast-rich impact melt rocks line the crater and impact-induced hydrothermal activity took place, but since then no significant geological event has affected the area. In the 1980s, ground magnetic and gravity measurements were carried out within the central part of the crater (Pohl et al., 1988). A significant anomaly was discovered and coarsely modeled by a source body of simple geometry. More recently, an airborne magnetic survey delivered additional data that covered the whole crater but no modeling was done (Glass et al., 2002). Here, we present the results of a new ground magnetic survey accompanied by rock magnetic property measurements made on all samples of the crater. This has provided additional constraints to investigate the origin of this central magnetic anomaly. By conducting modeling, we have been able to reveal the geometry and volume of the source body as well as its magnetization properties. Our results suggest that the necessary magnetization intensity to account for this anomaly is too large to be associated with uplifted pre-impact target rocks. Therefore, we suggest that hydrothermal alteration could have enhanced the magnetization of the central part of this crater. References : Osinski, G. R. et al. 2005. MPS, 40:1759-1776 ; Pohl, J. et al. 1988. Meteoritics, 23:235-238 ; Glass, B. J. et al. 2002, Abstract #2008. 33th LPSC

A new drilling method—Earthworm-like vibration drilling

PubMed Central

Wang, Peng; Wang, Ruihe

2018-01-01

The load transfer difficulty caused by borehole wall friction severely limits the penetration rate and extended-reach limit of complex structural wells. A new friction reduction technology termed “earthworm-like drilling” is proposed in this paper to improve the load transfer of complex structural wells. A mathematical model based on a “soft-string” model is developed and solved. The results show that earthworm-like drilling is more effective than single-point vibration drilling. The amplitude and frequency of the pulse pressure and the installation position of the shakers have a substantial impact on friction reduction and load transfer. An optimization model based on the projection gradient method is developed and used to optimize the position of three shakers in a horizontal well. The results verify the feasibility and advantages of earthworm-like drilling, and establish a solid theoretical foundation for its application in oil field drilling. PMID:29641615

A new drilling method-Earthworm-like vibration drilling.

PubMed

Wang, Peng; Ni, Hongjian; Wang, Ruihe

2018-01-01

The load transfer difficulty caused by borehole wall friction severely limits the penetration rate and extended-reach limit of complex structural wells. A new friction reduction technology termed "earthworm-like drilling" is proposed in this paper to improve the load transfer of complex structural wells. A mathematical model based on a "soft-string" model is developed and solved. The results show that earthworm-like drilling is more effective than single-point vibration drilling. The amplitude and frequency of the pulse pressure and the installation position of the shakers have a substantial impact on friction reduction and load transfer. An optimization model based on the projection gradient method is developed and used to optimize the position of three shakers in a horizontal well. The results verify the feasibility and advantages of earthworm-like drilling, and establish a solid theoretical foundation for its application in oil field drilling.

Diversity, structure and convergent evolution of the global sponge microbiome

PubMed Central

Thomas, Torsten; Moitinho-Silva, Lucas; Lurgi, Miguel; Björk, Johannes R.; Easson, Cole; Astudillo-García, Carmen; Olson, Julie B.; Erwin, Patrick M.; López-Legentil, Susanna; Luter, Heidi; Chaves-Fonnegra, Andia; Costa, Rodrigo; Schupp, Peter J.; Steindler, Laura; Erpenbeck, Dirk; Gilbert, Jack; Knight, Rob; Ackermann, Gail; Victor Lopez, Jose; Taylor, Michael W.; Thacker, Robert W.; Montoya, Jose M.; Hentschel, Ute; Webster, Nicole S.

2016-01-01

Sponges (phylum Porifera) are early-diverging metazoa renowned for establishing complex microbial symbioses. Here we present a global Porifera microbiome survey, set out to establish the ecological and evolutionary drivers of these host–microbe interactions. We show that sponges are a reservoir of exceptional microbial diversity and major contributors to the total microbial diversity of the world's oceans. Little commonality in species composition or structure is evident across the phylum, although symbiont communities are characterized by specialists and generalists rather than opportunists. Core sponge microbiomes are stable and characterized by generalist symbionts exhibiting amensal and/or commensal interactions. Symbionts that are phylogenetically unique to sponges do not disproportionally contribute to the core microbiome, and host phylogeny impacts complexity rather than composition of the symbiont community. Our findings support a model of independent assembly and evolution in symbiont communities across the entire host phylum, with convergent forces resulting in analogous community organization and interactions. PMID:27306690

Spreading Effect in Industrial Complex Network Based on Revised Structural Holes Theory

PubMed Central

Ye, Qing; Guan, Jun

2016-01-01

This paper analyzed the spreading effect of industrial sectors with complex network model under perspective of econophysics. Input-output analysis, as an important research tool, focuses more on static analysis. However, the fundamental aim of industry analysis is to figure out how interaction between different industries makes impacts on economic development, which turns out to be a dynamic process. Thus, industrial complex network based on input-output tables from WIOD is proposed to be a bridge connecting accurate static quantitative analysis and comparable dynamic one. With application of revised structural holes theory, flow betweenness and random walk centrality were respectively chosen to evaluate industrial sectors’ long-term and short-term spreading effect process in this paper. It shows that industries with higher flow betweenness or random walk centrality would bring about more intensive industrial spreading effect to the industrial chains they stands in, because value stream transmission of industrial sectors depends on how many products or services it can get from the other ones, and they are regarded as brokers with bigger information superiority and more intermediate interests. PMID:27218468

Spreading Effect in Industrial Complex Network Based on Revised Structural Holes Theory.

PubMed

Xing, Lizhi; Ye, Qing; Guan, Jun

2016-01-01

This paper analyzed the spreading effect of industrial sectors with complex network model under perspective of econophysics. Input-output analysis, as an important research tool, focuses more on static analysis. However, the fundamental aim of industry analysis is to figure out how interaction between different industries makes impacts on economic development, which turns out to be a dynamic process. Thus, industrial complex network based on input-output tables from WIOD is proposed to be a bridge connecting accurate static quantitative analysis and comparable dynamic one. With application of revised structural holes theory, flow betweenness and random walk centrality were respectively chosen to evaluate industrial sectors' long-term and short-term spreading effect process in this paper. It shows that industries with higher flow betweenness or random walk centrality would bring about more intensive industrial spreading effect to the industrial chains they stands in, because value stream transmission of industrial sectors depends on how many products or services it can get from the other ones, and they are regarded as brokers with bigger information superiority and more intermediate interests.

Crash simulation of UNS electric vehicle under frontal front impact

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

Susilo, D. D., E-mail: djoksus-2010@yahoo.com; Lukamana, N. I., E-mail: n.indra.lukmana@gmail.com; Budiana, E. P., E-mail: budiana.e@gmail.com

Sebelas Maret University has been developing an Electric Vehicle namely SmarT-EV UNS. The main structure of the car are chasis and body. The chasis is made from steel and the body is made from fiberglass composite. To ensure the safety of the car, both static and dynamic tests were carried out to these structures, including their materials, like: tensile test, bending test, and impact test. Another test needed by this vehicle is crashworthiness test. To perform the test, it is needed complex equipments and it is quite expensive. Another way to obtain vehicle crashworthiness behaviour is by simulate it. Themore » purpose of this study was to simulate the response of the Smart-EV UNS electric vehicle main structure when crashing rigid barrier from the front. The crash simulation was done in according to the NHTSA (National Highway Traffic Safety Administration) within the speed of the vehicle of 35 mph. The UNS Electric Vehicle was modelled using SolidWorks software, and the simulation process was done by finite element method using ANSYS software. The simulation result showed that the most internal impact energy was absorbed by chassis part. It absorbed 76.2% of impact energy, then the base absorbed 11.3 %, while the front body absorbed 2.5 %, and the rest was absorbed by fender, hood, and other parts.« less

Thiopeptide antibiotics stimulate biofilm formation in Bacillus subtilis.

PubMed

Bleich, Rachel; Watrous, Jeramie D; Dorrestein, Pieter C; Bowers, Albert A; Shank, Elizabeth A

2015-03-10

Bacteria have evolved the ability to produce a wide range of structurally complex natural products historically called "secondary" metabolites. Although some of these compounds have been identified as bacterial communication cues, more frequently natural products are scrutinized for antibiotic activities that are relevant to human health. However, there has been little regard for how these compounds might otherwise impact the physiology of neighboring microbes present in complex communities. Bacillus cereus secretes molecules that activate expression of biofilm genes in Bacillus subtilis. Here, we use imaging mass spectrometry to identify the thiocillins, a group of thiazolyl peptide antibiotics, as biofilm matrix-inducing compounds produced by B. cereus. We found that thiocillin increased the population of matrix-producing B. subtilis cells and that this activity could be abolished by multiple structural alterations. Importantly, a mutation that eliminated thiocillin's antibiotic activity did not affect its ability to induce biofilm gene expression in B. subtilis. We go on to show that biofilm induction appears to be a general phenomenon of multiple structurally diverse thiazolyl peptides and use this activity to confirm the presence of thiazolyl peptide gene clusters in other bacterial species. Our results indicate that the roles of secondary metabolites initially identified as antibiotics may have more complex effects--acting not only as killing agents, but also as specific modulators of microbial cellular phenotypes.

Structural analysis of hierarchically organized zeolites

PubMed Central

Mitchell, Sharon; Pinar, Ana B.; Kenvin, Jeffrey; Crivelli, Paolo; Kärger, Jörg; Pérez-Ramírez, Javier

2015-01-01

Advances in materials synthesis bring about many opportunities for technological applications, but are often accompanied by unprecedented complexity. This is clearly illustrated by the case of hierarchically organized zeolite catalysts, a class of crystalline microporous solids that has been revolutionized by the engineering of multilevel pore architectures, which combine unique chemical functionality with efficient molecular transport. Three key attributes, the crystal, the pore and the active site structure, can be expected to dominate the design process. This review examines the adequacy of the palette of techniques applied to characterize these distinguishing features and their catalytic impact. PMID:26482337

The perceived causal structures of smoking: Smoker and non-smoker comparisons

PubMed Central

Lydon, David M; Howard, Matthew C; Wilson, Stephen J; Geier, Charles F

2015-01-01

Despite the detrimental impact of smoking on health, its prevalence remains high. Empirical research has provided insight into the many causes and effects of smoking, yet lay perceptions of smoking remain relatively understudied. The current study used a form of network analysis to gain insight into the causal attributions for smoking of both smoking and non-smoking college students. The analyses resulted in highly endorsed, complex network diagrams that conveyed the perceived causal structures of smoking. Differences in smoker and non-smoker networks emerged with smokers attributing less negative consequences to smoking behaviors. Implications for intervention are discussed. PMID:25690755

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

Hattrick-Simpers, Jason R.; Gregoire, John M.; Kusne, A. Gilad

With their ability to rapidly elucidate composition-structure-property relationships, high-throughput experimental studies have revolutionized how materials are discovered, optimized, and commercialized. It is now possible to synthesize and characterize high-throughput libraries that systematically address thousands of individual cuts of fabrication parameter space. An unresolved issue remains transforming structural characterization data into phase mappings. This difficulty is related to the complex information present in diffraction and spectroscopic data and its variation with composition and processing. Here, we review the field of automated phase diagram attribution and discuss the impact that emerging computational approaches will have in the generation of phase diagrams andmore » beyond.« less

Influence of stochastic geometric imperfections on the load-carrying behaviour of thin-walled structures using constrained random fields

NASA Astrophysics Data System (ADS)

Lauterbach, S.; Fina, M.; Wagner, W.

2018-04-01

Since structural engineering requires highly developed and optimized structures, the thickness dependency is one of the most controversially debated topics. This paper deals with stability analysis of lightweight thin structures combined with arbitrary geometrical imperfections. Generally known design guidelines only consider imperfections for simple shapes and loading, whereas for complex structures the lower-bound design philosophy still holds. Herein, uncertainties are considered with an empirical knockdown factor representing a lower bound of existing measurements. To fully understand and predict expected bearable loads, numerical investigations are essential, including geometrical imperfections. These are implemented into a stand-alone program code with a stochastic approach to compute random fields as geometric imperfections that are applied to nodes of the finite element mesh of selected structural examples. The stochastic approach uses the Karhunen-Loève expansion for the random field discretization. For this approach, the so-called correlation length l_c controls the random field in a powerful way. This parameter has a major influence on the buckling shape, and also on the stability load. First, the impact of the correlation length is studied for simple structures. Second, since most structures for engineering devices are more complex and combined structures, these are intensively discussed with the focus on constrained random fields for e.g. flange-web-intersections. Specific constraints for those random fields are pointed out with regard to the finite element model. Further, geometrical imperfections vanish where the structure is supported.

An Overview of Nitrogen Cycling in a Semiarid Savanna: Some Implications for Management and Conservation in a Large African Park

NASA Astrophysics Data System (ADS)

Coetsee, Corli; Jacobs, Shayne; Govender, Navashni

2012-02-01

Nitrogen (N) is a major control on primary productivity and hence on the productivity and diversity of secondary producers and consumers. As such, ecosystem structure and function cannot be understood without a comprehensive understanding of N cycling and dynamics. This overview describes the factors that govern N distribution and dynamics and the consequences that variable N dynamics have for structure, function and thresholds of potential concern (TPCs) for management of a semiarid southern African savanna. We focus on the Kruger National Park (KNP), a relatively intact savanna, noted for its wide array of animal and plant species and a prized tourist destination. KNP's large size ensures integrity of most ecosystem processes and much can be learned about drivers of ecosystem structure and function using this park as a baseline. Our overview shows that large scale variability in substrates exists, but do not necessarily have predictable consequences for N cycling. The impact of major drivers such as fire is complex; at a landscape scale little differences in stocks and cycling were found, though at a smaller scale changes in woody cover can lead to concomitant changes in total N. Contrasting impacts of browsers and grazers on N turnover has been recorded. Due to the complexity of this ecosystem, we conclude that it will be complicated to draw up TPCs for most transformations and pools involved with the N cycle. However, we highlight in which cases the development of TPCs will be possible.

Evaluation of the impact of a clinical pathway on the organization of a multidisciplinary dental sleep clinic.

PubMed

Ten Berge, D M; Braem, M J; Altenburg, A; Dieltjens, M; Van de Heyning, P H; Vanhaecht, K; Vanderveken, O M

2014-05-01

Clinical pathways are used to organize complex care processes by providing structure and standardization. The multidisciplinary approach of oral appliance (OA) therapy for sleep-disordered breathing (SDB) is a complex and dynamic process suitable for such a structured pathway approach. A clinical pathway for patients referred for OA therapy was developed and implemented. The aim of this study was to evaluate the impact of this clinical pathway on the time to delivery of the OA and the organization of the multidisciplinary dental sleep clinic (MDSC). The latter was achieved using the care process self-evaluation tool (CPSET). First, development and implementation of the clinical pathway gave structure and shortened the mean time to delivery by 102 days (240 ± 70 vs. 138 ± 33 days) (Mann-Whitney U: P < 0.001). Second, the CPSET scores were obtained in a cohort of 49 healthcare professionals involved in the pathway. Overall, patient-focused organization received the highest scores (80.5 ± 9.0%), whereas cooperation with primary care received the lowest score (66.7 ± 12.4%). This is the first project on clinical pathways in OA therapy for SDB. The implementation of the pathway in our MDSC has created a significant shortening of the time to delivery. A first evaluation of the clinical pathway using the CPSET scores indicates that all disciplines involved should be thoroughly informed in an ongoing approach.

A model-based approach to determine the long-term effects of multiple interacting stressors on coral reefs.

PubMed

Blackwood, Julie C; Hastings, Alan; Mumby, Peter J

2011-10-01

The interaction between multiple stressors on Caribbean coral reefs, namely, fishing effort and hurricane impacts, is a key element in the future sustainability of reefs. We develop an analytic model of coral-algal interactions and explicitly consider grazing by herbivorous reef fish. Further, we consider changes in structural complexity, or rugosity, in addition to the direct impacts of hurricanes, which are implemented as stochastic jump processes. The model simulations consider various levels of fishing effort corresponding to' several hurricane frequencies and impact levels dependent on geographic location. We focus on relatively short time scales so we do not explicitly include changes in ocean temperature, chemistry, or sea level rise. The general features of our approach would, however, apply to these other stressors and to the management of other systems in the face of multiple stressors. It is determined that the appropriate management policy, either local reef restoration or fisheries management, greatly depends on hurricane frequency and impact level. For sufficiently low hurricane impact and macroalgal growth rate, our results indicate that regions with lower-frequency hurricanes require stricter fishing regulations, whereas management in regions with higher-frequency hurricanes might be less concerned with enhancing grazing and instead consider whether local-scale restorative activities to increase vertical structure are cost-effective.

Substitutional impact on biological activity of new water soluble Ni(II) complexes: Preparation, spectral characterization, X-ray crystallography, DNA/protein binding, antibacterial activity and in vitro cytotoxicity.

PubMed

Umadevi, C; Kalaivani, P; Puschmann, H; Murugan, S; Mohan, P S; Prabhakaran, R

2017-02-01

A series of new water soluble nickel(II) complexes containing triphenylphosphine and 4-methoxysalicylaldehyde-4(N)-substituted thiosemicarbazones were synthesized and characterized. Crystallographic investigations confirmed the structure of the complexes (1-4) having the general structure [Ni(4-Msal-Rtsc)(PPh 3 )] (Where R=H (1); CH 3 (2); C 2 H 5 (3); C 6 H 5 (4)) which showed that thiosemicarbazone ligands coordinated to nickel(II) ion as ONS tridentate bibasic donor. DNA/BSA protein binding ability of the ligands and their new complexes were studied by taking calf-thymus DNA (CT-DNA) and Bovine serum albumin (BSA) through absorption and emission titrations. Ethidium bromide (EB) displacement study showed the intercalative binding trend of the complexes to DNA. From the albumin binding studies, the mechanism of quenching was found as static and the alterations in the secondary structure of BSA by the compounds were confirmed with synchronous spectral studies. The binding affinity of the complexes to CT-DNA and BSA has the order of [Ni(4-Msal-etsc)(PPh 3 )] (3) >[Ni(4-Msal-mtsc)(PPh 3 )] (2) >[Ni(4-Msal-tsc)(PPh 3 )] (1) >[Ni(4-Msal-ptsc)(PPh 3 )] (4). In vitro cytotoxicity of the complexes was tested on human lung cancer cells (A549), human cervical cancer cells (HeLa), human liver carcinoma cells (Hep G2). All the complexes exhibited significant activity against three cancer cells. Among them, complex 4 exhibited almost 2.5 fold activity than cisplatin in A549 and HepG2 cell lines. In HeLa cell line, the complexes exhibited significant activity which is less than cisplatin. While comparing the activity of the complexes in A549 and HepG2 cell lines it falls in the order 4>1>2>3>cisplatin. The results obtained from DNA, protein binding and cytotoxicity studies, it is concluded that the cytotoxicity of the complexes as determined by MTT assay were not unduly influenced by the complexes having different binding efficiency with DNA and protein. The complexes exhibited good spectrum of antibacterial activity against four pathogenic bacteria such as E. faecalis (gram +ve), S. aureus (gram +ve), E. coli (gram -ve) and P. aeruginosa (gram -ve). Copyright © 2016 Elsevier B.V. All rights reserved.

Materials, Manufacturing and Test Development of a Composite Fan Blade Leading Edge Subcomponent for Improved Impact Resistance

NASA Technical Reports Server (NTRS)

Handschuh, Katherine M.; Miller, Sandi G.; Sinnott, Matthew J.; Kohlman, Lee W.; Roberts, Gary D.; Pereira, J. Michael; Ruggeri, Charles R.

2014-01-01

Application of polymer matrix composite materials for jet engine fan blades is becoming attractive as an alternative to metallic blades; particularly for large engines where significant weight savings are recognized on moving to a composite structure. However, the weight benefit of the composite of is offset by a reduction of aerodynamic efficiency resulting from a necessary increase in blade thickness; relative to the titanium blades. Blade dimensions are largely driven by resistance to damage on bird strike. Further development of the composite material is necessary to allow composite blade designs to approximate the dimensions of a metallic fan blade. The reduction in thickness over the state of the art composite blades is expected to translate into structural weight reduction, improved aerodynamic efficiency, and therefore reduced fuel consumption. This paper presents test article design, subcomponent blade leading edge fabrication, test method development, and initial results from ballistic impact of a gelatin projectile on the leading edge of composite fan blades. The simplified test article geometry was developed to realistically simulate a blade leading edge while decreasing fabrication complexity. Impact data is presented on baseline composite blades and toughened blades; where a considerable improvement to impact resistance was recorded.

Materials, Manufacturing, and Test Development of a Composite Fan Blade Leading Edge Subcomponent for Improved Impact Resistance

NASA Technical Reports Server (NTRS)

Miller, Sandi G.; Handschuh, Katherine; Sinnott, Matthew J.; Kohlman, Lee W.; Roberts, Gary D.; Martin, Richard E.; Ruggeri, Charles R.; Pereira, J. Michael

2015-01-01

Application of polymer matrix composite materials for jet engine fan blades is becoming attractive as an alternative to metallic blades; particularly for large engines where significant weight savings are recognized on moving to a composite structure. However, the weight benefit of the composite is offset by a reduction of aerodynamic efficiency resulting from a necessary increase in blade thickness; relative to the titanium blades. Blade dimensions are largely driven by resistance to damage on bird strike. Further development of the composite material is necessary to allow composite blade designs to approximate the dimensions of a metallic fan blade. The reduction in thickness over the state of the art composite blades is expected to translate into structural weight reduction, improved aerodynamic efficiency, and therefore reduced fuel consumption. This paper presents test article design, subcomponent blade leading edge fabrication, test method development, and initial results from ballistic impact of a gelatin projectile on the leading edge of composite fan blades. The simplified test article geometry was developed to realistically simulate a blade leading edge while decreasing fabrication complexity. Impact data is presented on baseline composite blades and toughened blades; where a considerable improvement to impact resistance was recorded.

Gestational Age is Dimensionally Associated with Structural Brain Network Abnormalities Across Development.

PubMed

Nassar, Rula; Kaczkurkin, Antonia N; Xia, Cedric Huchuan; Sotiras, Aristeidis; Pehlivanova, Marieta; Moore, Tyler M; Garcia de La Garza, Angel; Roalf, David R; Rosen, Adon F G; Lorch, Scott A; Ruparel, Kosha; Shinohara, Russell T; Davatzikos, Christos; Gur, Ruben C; Gur, Raquel E; Satterthwaite, Theodore D

2018-04-21

Prematurity is associated with diverse developmental abnormalities, yet few studies relate cognitive and neurostructural deficits to a dimensional measure of prematurity. Leveraging a large sample of children, adolescents, and young adults (age 8-22 years) studied as part of the Philadelphia Neurodevelopmental Cohort, we examined how variation in gestational age impacted cognition and brain structure later in development. Participants included 72 preterm youth born before 37 weeks' gestation and 206 youth who were born at term (37 weeks or later). Using a previously-validated factor analysis, cognitive performance was assessed in three domains: (1) executive function and complex reasoning, (2) social cognition, and (3) episodic memory. All participants completed T1-weighted neuroimaging at 3 T to measure brain volume. Structural covariance networks were delineated using non-negative matrix factorization, an advanced multivariate analysis technique. Lower gestational age was associated with both deficits in executive function and reduced volume within 11 of 26 structural covariance networks, which included orbitofrontal, temporal, and parietal cortices as well as subcortical regions including the hippocampus. Notably, the relationship between lower gestational age and executive dysfunction was accounted for in part by structural network deficits. Together, these findings emphasize the durable impact of prematurity on cognition and brain structure, which persists across development.

Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics

PubMed Central

2014-01-01

Background Over the last decades, a vast structural knowledge has been gathered on the HIV-1 protease (PR). Noticeably, most of the studies focused the B-subtype, which has the highest prevalence in developed countries. Accordingly, currently available anti-HIV drugs target this subtype, with considerable benefits for the corresponding patients. However, in developing countries, there is a wide variety of HIV-1 subtypes carrying PR polymorphisms related to reduced drug susceptibility. The non-active site mutation, M36I, is the most frequent polymorphism, and is considered as a non-B subtype marker. Yet, the structural impact of this substitution on the PR structure and on the interaction with natural substrates remains poorly documented. Results Herein, we used molecular dynamics simulations to investigate the role of this polymorphism on the interaction of PR with six of its natural cleavage-sites substrates. Free energy analyses by MMPB/SA calculations showed an affinity decrease of M36I-PR for the majority of its substrates. The only exceptions were the RT-RH, with equivalent affinity, and the RH-IN, for which an increased affinity was found. Furthermore, molecular simulations suggest that, unlike other peptides, RH-IN induced larger structural fluctuations in the wild-type enzyme than in the M36I variant. Conclusions With multiple approaches and analyses we identified structural and dynamical determinants associated with the changes found in the binding affinity of the M36I variant. This mutation influences the flexibility of both PR and its complexed substrate. The observed impact of M36I, suggest that combination with other non-B subtype polymorphisms, could lead to major effects on the interaction with the 12 known cleavage sites, which should impact the virion maturation. PMID:25573486

Chicxulub Impact Melts: Geochemical Signatures of Target Lithology Mixing and Post-Impact Hydrothermal Fluid Processes

NASA Technical Reports Server (NTRS)

Kring, David A.; Zurcher, Lukas; Horz, Freidrich; Mertzmann, Stanley A.

2004-01-01

Impact melts within complex impact craters are generally homogeneous, unless they differentiated, contain immiscible melt components, or were hydrothermally altered while cooling. The details of these processes, however, and their chemical consequences, are poorly understood. The best opportunity to unravel them may lie with the Chicxulub impact structure, because it is the world s most pristine (albeit buried) large impact crater. The Chicxulub Scientific Drilling Project recovered approx. 100 meters of impactites in a continuous core from the Yaxcopoil-1 (YAX-1) borehole. This dramatically increased the amount of melt available for analyses, which was previously limited to two small samples N17 and N19) recovered from the Yucatan-6 (Y-6) borehole and one sample (N10) recovered from the Chicxulub-1 (C-1) borehole. In this study, we describe the chemical compositions of six melt samples over an approx. 40 m section of the core and compare them to previous melt samples from the Y-6 and C-1 boreholes.

Sustainability of dams-an evaluation approach

NASA Astrophysics Data System (ADS)

Petersson, E.

2003-04-01

Situated in the stream bed of a river, dams and reservoirs interrupt the natural hydrological cycle. They are very sensitive to all kinds of changes in the catchment, among others global impacts on land use, climate, settlement structures or living standards. Vice versa dams strongly affect the spatially distributed, complex system of ecology, economy and society in the catchment both up- and downstream of the reservoir. The occurrence of negative impacts due to large dams led to serious conflicts about future dams. Nevertheless, water shortages due to climatic conditions and their changes, that are faced by enormous water and energy demands due to rising living standards of a growing world population, seem to require further dam construction, even if both supply and demand management are optimised. Although environmental impact assessments are compulsory for dams financed by any of the international funding agencies, it has to be assumed that the projects lack sustainability. Starting from an inventory of today's environmental impact assessments as an integral part of a feasibility study the presentation will identify their inadequacies with regard to the sustainability of dams. To improve the sustainability of future dams and avoid the mistakes of the past, the planning procedures for dams have to be adapted. The highly complex and dynamical system of interrelated physical and non-physical processes, that involves many different groups of stakeholders, constitutes the need for a model-oriented decision support system. In line with the report of the World Commission of Dams an integrated analysis and structure of the complex interrelations between dams, ecology, economy and society will be presented. Thus the system, that a respective tool will be based on, is analysed. Furthermore an outlook will be given on the needs of the potential users of a DSS and how it has to be embedded in the overall planning process. The limits of computer-based decision-support in the very specific context of dam construction will be identified. Special focus will be on the constraints arising from the need to jointly evaluate qualitative and quantitative aspects and the methodological potential of multi-criteria evaluation in this respect.

Nexus Between Protein–Ligand Affinity Rank-Ordering, Biophysical Approaches, and Drug Discovery

PubMed Central

2013-01-01

The confluence of computational and biophysical methods to accurately rank-order the binding affinities of small molecules and determine structures of macromolecular complexes is a potentially transformative advance in the work flow of drug discovery. This viewpoint explores the impact that advanced computational methods may have on the efficacy of small molecule drug discovery and optimization, particularly with respect to emerging fragment-based methods. PMID:24900579

Adaptability in Crisis Management: The Role of Organizational Structure

DTIC Science & Technology

2013-06-01

individuals to make optimal decisions under constraints of high risk, uncertainty, high workload, and time pressure (see, e.g., Brehmer, 2007 ). There is...et al., 2003; Hallam & Stammers , 1981). For instance, Hallam and Stammers (1981) showed that the impact of variations in task complexity on team...each team member. FIRESCOPE, a commonly used crisis intervention plan developed in California (Office of Emergency Services, 2007 ) is a good

The impact of dyskeratosis congenita mutations on the structure and dynamics of the human telomerase RNA pseudoknot domain | Center for Cancer Research

Cancer.gov

The pseudoknot domain is a functionally crucial part of telomerase RNA and influences the activity and stability of the ribonucleoprotein complex. Autosomal dominant dyskeratosis congenita (DKC) is an inherited disease that is linked to mutations in telomerase RNA and impairs telomerase function. In this paper, we present a computational prediction of the influence of two base

Vegetation and soils

USGS Publications Warehouse

Burke, M.K.; King, S.L.; Eisenbies, M.H.; Gartner, D.

2000-01-01

Intro paragraph: Characterization of bottomland hardwood vegetation in relatively undisturbed forests can provide critical information for developing effective wetland creation and restoration techniques and for assessing the impacts of management and development. Classification is a useful technique in characterizing vegetation because it summarizes complex data sets, assists in hypothesis generation about factors influencing community variation, and helps refine models of community structure. Hierarchical classification of communities is particularly useful for showing relationships among samples (Gauche 1982).

Research highlights: Microtechnologies for engineering the cellular environment.

PubMed

Tseng, Peter; Kunze, Anja; Kittur, Harsha; Di Carlo, Dino

2014-04-07

In this issue we highlight recent microtechnology-enabled approaches to control the physical and biomolecular environment around cells: (1) developing micropatterned surfaces to quantify cell affinity choices between two adhesive patterns, (2) controlling topographical cues to align cells and improve reprogramming to a pluripotent state, and (3) controlling gradients of biomolecules to maintain pluripotency in embryonic stem cells. Quantitative readouts of cell-surface affinity in environments with several cues should open up avenues in tissue engineering where self-assembly of complex multi-cellular structures is possible by precisely engineering relative adhesive cues in three dimensional constructs. Methods of simple and local epigenetic modification of chromatin structure with microtopography and biomolecular gradients should also be of use in regenerative medicine, as well as in high-throughput quantitative analysis of external signals that impact and can be used to control cells. Overall, approaches to engineer the cellular environment will continue to be an area of further growth in the microfluidic and lab on a chip community, as the scale of the technologies seamlessly matches that of biological systems. However, because of regulations and other complexities with tissue engineered therapies, these micro-engineering approaches will likely first impact organ-on-a-chip technologies that are poised to improve drug discovery pipelines.

Planting increases the abundance and structure complexity of soil core functional genes relevant to carbon and nitrogen cycling

PubMed Central

Wang, Feng; Liang, Yuting; Jiang, Yuji; Yang, Yunfeng; Xue, Kai; Xiong, Jinbo; Zhou, Jizhong; Sun, Bo

2015-01-01

Plants have an important impact on soil microbial communities and their functions. However, how plants determine the microbial composition and network interactions is still poorly understood. During a four-year field experiment, we investigated the functional gene composition of three types of soils (Phaeozem, Cambisols and Acrisol) under maize planting and bare fallow regimes located in cold temperate, warm temperate and subtropical regions, respectively. The core genes were identified using high-throughput functional gene microarray (GeoChip 3.0), and functional molecular ecological networks (fMENs) were subsequently developed with the random matrix theory (RMT)-based conceptual framework. Our results demonstrated that planting significantly (P < 0.05) increased the gene alpha-diversity in terms of richness and Shannon – Simpson’s indexes for all three types of soils and 83.5% of microbial alpha-diversity can be explained by the plant factor. Moreover, planting had significant impacts on the microbial community structure and the network interactions of the microbial communities. The calculated network complexity was higher under maize planting than under bare fallow regimes. The increase of the functional genes led to an increase in both soil respiration and nitrification potential with maize planting, indicating that changes in the soil microbial communities and network interactions influenced ecological functioning. PMID:26396042

Doubling Pharmacist Coverage in the Intensive Care Unit: Impact on the Pharmacists' Clinical Activities and Team Members' Satisfaction.

PubMed

McDaniel, Joshua; Bass, Lynn; Pate, Toni; DeValve, Michael; Miller, Susan

2017-09-01

Background: National professional organizations have recognized pharmacists as essential members of the intensive care unit (ICU) team. Critical care pharmacists' clinical activities have been categorized as fundamental, desirable, and optimal, providing a structure for gauging ICU pharmacy services being provided. Objective: To determine the impact the addition of a second ICU pharmacist covering 30 adult ICU beds at a large regional medical center has on the complexity of pharmacists' interventions, the types of clinical activities performed by the pharmacists, and the ICU team members' satisfaction. Methods: A prospective mixed-method descriptive study was conducted. Pharmacists recorded their interventions and clinical activities performed. A focus group composed of randomly selected ICU team members was held to qualitatively describe the impact of the additional pharmacist coverage on patient care, team dynamics, and pharmacy services provided. Results: The baseline period consisted of 33 days, and the intervention period consisted of 20 days. The average complexity of interventions was 1.72 during the baseline period (mode = 2) versus 1.69 (mode = 2) during the intervention period. The number of desirable and optimal clinical activities performed daily increased during the intervention from 8.4 (n = 279) to 16.4 (n = 328) and 2.3 (n = 75) to 8.6 (n = 171) compared with the baseline, respectively. Focus group members qualitatively described additional pharmacist coverage as beneficial. Conclusion: The additional critical care pharmacist did not increase pharmacy intervention complexity; however, more interventions were performed per day. Additional pharmacist coverage increased the daily number of desirable and optimal clinical activities performed and positively impacted ICU team members' satisfaction.

MONTH-LONG EVOLUTION OF THE D/G JUPITER IMPACT SITES FROM COMET P/SHOEMAKER-LEVY 9

NASA Technical Reports Server (NTRS)

2002-01-01

This series of snapshots, taken with NASA's Hubble Space Telescope, shows evolution of the comet P/Shoemaker-Levy 9 impact region called the D/G complex. This feature was produced by two nuclei of comet P/Shoemaker-Levy 9 that collided with Jupiter on 17 and 18 July 1994, respectively, and was later modified again by the impact of the S fragment on 21 July 1994. Upper Left: This first image was taken about 90 minutes after the G impact on 18 July 1994. Nearly all of the structure in this image was created by the impact of fragment G, although a small dark spot to the left was the remainder of small fragment D that collided one day earlier. The explosion of the nucleus in Jupiter's atmosphere created the unique ring structure, which may be analogous to a 'sonic boom' on earth. Though this structure is best seen for the G impact, it is not unique. Hubble reveals similar rings around several other fresh impact sites. They are all clear evidence for coherent outward motion of this wave phenomena. Upper right: This second image, obtained on 23 July, shows that the Jovian winds have swept the material into a striking 'curly-cue' structure. Lower left, right: The structure seen in earlier views has disappeared rapidly in the images taken on 30 July and 24 August, respectively. Almost all of the changes between the images are due to Jupiter's east-west winds that play a key role in the dispersing of the dark material. Hubble Space Telescope's high resolution will allow astronomers to continue to trace the impact debris as it is transported by the Jovian winds. This information promises to advance current understanding of the physics of Jupiter's atmosphere. These black and white images were taken in near-ultraviolet light with the Wide Field Planetary Camera 2. They have been processed to correct for the curvature of Jupiter, so that the impact region appears flat, as if the viewer were hovering directly overhead. Each image is centered on -46 degrees latitude and 28 degrees. The north-south extent in the image spans from -26 to -66 deg. latitude and the east-west extent of the region spans +/- 30 degrees on either side of 28 degrees longitude. credit: H. Hammel, MIT and NASA

Unexpected Actinyl Cation-Directed Structural Variation in Neptunyl(VI) A-Type Tri-lacunary Heteropolyoxotungstate Complexes

DOE PAGES

Berg, John M.; Gaunt, Andrew J.; May, Iain; ...

2015-04-22

A-type tri-lacunary heteropolyoxotungstate anions (e.g., [PW 9O 34] 9-, [AsW 9O 34] 9-, [SiW 9O 34] 10- and [GeW 9O 34] 10-) are multi-dentate oxygen donor ligands that readily form sandwich complexes with actinyl cations ({UO 2} 2+, {NpO 2} +, {NpO 2} 2+ & {PuO 2} 2+) in near neutral/slightly alkaline aqueous solutions. Two or three actinyl cations are sandwiched between two trilacunary anions, with additional cations (Na +, K + or NH 4 +) also often held within the cluster. Studies thus far have indicated that it is these additional +I cations, rather than the specific actinylmore » cation, that direct the structural variation in the complexes formed. We now report the structural characterization of the neptunyl (VI) cluster complex (NH 4) 13 [Na(NpO 2) 2(A-α- PW 9O 34) 2]·12H 2O. The anion in this complex, [Na(NpO 2) 2(PW 9O 34) 2] 13-, contains one Na + cation and two {NpO 2} 2+ cations held between two [PW 9O 34] 9- anions – with an additional partial occupancy NH 4 + or {NpO 2} 2+ cation also present. In the analogous uranium (VI) system, under similar reaction conditions that includes an excess of NH 4Cl in the parent solution, it was previously shown that [(NH 4) 2(U VIO 2) 2(A-PW 9O 34) 2] 12- is the dominant species in both solution and the crystallized salt. Spectroscopic studies provide further proof of differences in the observed chemistry for the {NpO 2} 2+/[PW 9O 34] 9- and {UO 2} 2+/[PW 9O 34] 9- systems, both in solution and in solid state complexes crystallized from comparable salt solutions. The work revealed that varying the actinide element (Np vs. U) can indeed measurably impact structure and complex stability in the cluster chemistry of actinyl (VI) cations with A-type tri-lacunary heteropolyoxotungstate anions.« less

Cellulose synthases: new insights from crystallography and modeling.

PubMed

Slabaugh, Erin; Davis, Jonathan K; Haigler, Candace H; Yingling, Yaroslava G; Zimmer, Jochen

2014-02-01

Detailed information about the structure and biochemical mechanisms of cellulose synthase (CelS) proteins remained elusive until a complex containing the catalytic subunit (BcsA) of CelS from Rhodobacter sphaeroides was crystalized. Additionally, a 3D structure of most of the cytosolic domain of a plant CelS (GhCESA1 from cotton, Gossypium hirsutum) was produced by computational modeling. This predicted structure contributes to our understanding of how plant CelS proteins may be similar and different as compared with BcsA. In this review, we highlight how these structures impact our understanding of the synthesis of cellulose and other extracellular polysaccharides. We show how the structures can be used to generate hypotheses for experiments testing mechanisms of glucan synthesis and translocation in plant CelS. Copyright © 2013 Elsevier Ltd. All rights reserved.

CSM research: Methods and application studies

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.

1989-01-01

Computational mechanics is that discipline of applied science and engineering devoted to the study of physical phenomena by means of computational methods based on mathematical modeling and simulation, utilizing digital computers. The discipline combines theoretical and applied mechanics, approximation theory, numerical analysis, and computer science. Computational mechanics has had a major impact on engineering analysis and design. When applied to structural mechanics, the discipline is referred to herein as computational structural mechanics. Complex structures being considered by NASA for the 1990's include composite primary aircraft structures and the space station. These structures will be much more difficult to analyze than today's structures and necessitate a major upgrade in computerized structural analysis technology. NASA has initiated a research activity in structural analysis called Computational Structural Mechanics (CSM). The broad objective of the CSM activity is to develop advanced structural analysis technology that will exploit modern and emerging computers, such as those with vector and/or parallel processing capabilities. Here, the current research directions for the Methods and Application Studies Team of the Langley CSM activity are described.

Designing functionality in perovskite thin films using ion implantation techniques: Assessment and insights from first-principles calculations

DOE PAGES

Sharma, Vinit K.; Herklotz, Andreas; Ward, Thomas Zac; ...

2017-09-11

Ion implantation has been widely used in the semiconductor industry for decades to selectively control electron/hole doping for device applications. Recently, experimental studies on ion implantation into more structurally and electronically complex materials have been undertaken in which defect generation has been used to control a variety of functional phenomena. Of particular interest, are recent findings demonstrating that low doses of low energy helium ions into single crystal films can be used to tailor the structural properties. These initial experimental studies have shown that crystal symmetry can be continuously controlled by applying increasingly large doses of He ions into amore » crystal. The observed changes in lattice structure were then observed to correlate with functional changes, such as metal-insulator transition temperature2 and optical bandgap3. In these preliminary experimental studies, changes to lattice expansion was proposed to be the direct result of chemical pressure originating predominantly from the implanted He applying chemical pressure at interstitial sites. However, the influence of possible secondary knock-on damage arising from the He atoms transferring energy to the lattice through nuclear-nuclear collision with the crystal lattice remains largely unaddressed. In this work, we focus on a SrRuO3 model system to provide a comprehensive examination of the impact of common defects on structural and electronic properties, obtain calculated defect formation energies, and define defect migration barriers. Our model indicates that, while interstitial He can modify the crystal properties, a dose significantly larger than those reported in experimental studies would be required. The true origin of the observed structural changes is likely the result of a combination of secondary defects created during He implantation. Of particular importance, we observe that different defect types can generate greatly varied local electronic structures and that the formation energies and migration energy barriers vary by defect type. Thus, we may have identified a new method of selectively inducing controlled defect complexes into single crystal materials. Development of this approach would have a broad impact on both our ability to probe specific defect contributions in fundamental studies and allow a new level of control over functional properties driven by specific defect complexes.« less

The role of academic institutions in leveraging engagement and action on climate change

NASA Astrophysics Data System (ADS)

Hill, T. M.; Palca, J.

2016-12-01

Growing global concern over the impact of climate change places climate scientists at the forefront of communicating risks, impacts, and adaptation strategies to non-scientists. Academic institutions can play a leadership role in providing support, incentives, and structures that encourage scientific engagement on this, and other, complex societal and scientific issues. This presentation will focus on `best practices' in supporting university scientists in communicating their science and engaging in thoughtful dialogue with decision makers, managers, media, and public audiences. For example, institutions that can provide significant administrative support for science communication (press officers, training workshops) may decrease barriers between academic science and public knowledge. Additionally, financial (or similar) support in the form of teaching releases and institutional awards can be utilized to acknowledge the time and effort spent in engagement. This presentation will feature examples from universities, professional societies and other institutions where engagement on climate science is structurally encouraged and supported.

Zooplankton and the Ocean Carbon Cycle.

PubMed

Steinberg, Deborah K; Landry, Michael R

2017-01-03

Marine zooplankton comprise a phylogenetically and functionally diverse assemblage of protistan and metazoan consumers that occupy multiple trophic levels in pelagic food webs. Within this complex network, carbon flows via alternative zooplankton pathways drive temporal and spatial variability in production-grazing coupling, nutrient cycling, export, and transfer efficiency to higher trophic levels. We explore current knowledge of the processing of zooplankton food ingestion by absorption, egestion, respiration, excretion, and growth (production) processes. On a global scale, carbon fluxes are reasonably constrained by the grazing impact of microzooplankton and the respiratory requirements of mesozooplankton but are sensitive to uncertainties in trophic structure. The relative importance, combined magnitude, and efficiency of export mechanisms (mucous feeding webs, fecal pellets, molts, carcasses, and vertical migrations) likewise reflect regional variability in community structure. Climate change is expected to broadly alter carbon cycling by zooplankton and to have direct impacts on key species.

Influence of LaFeO 3 Surface Termination on Water Reactivity

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

Stoerzinger, Kelsey A.; Comes, Ryan; Spurgeon, Steven R.

2017-02-17

The polarity of oxide surfaces can dramatically impact their surface reactivity, in particular with polar molecules such as water. The surface species that result from this interaction change the oxide electronic structure and chemical reactivity in applications such as photoelectrochemistry, but are challenging to probe experimentally with atomic-scale understanding. Here we report a detailed study of the surface chemistry and electronic structure of the perovskite LaFeO3 in humid conditions using ambient pressure X-ray photoelectron spectroscopy. Comparing the two possible terminations of the polar (001)-oriented surface, we find that the LaO surface is more reactive toward water, forming hydroxyl species andmore » adsorbing molecular water at lower relative humidity than its FeO2-terminated counterpart. Our results demonstrate how the termination of a complex oxide can dramatically impact its reactivity, providing insight into the design of catalyst materials.« less

Low energy electron-impact ionization of hydrogen atom for coplanar equal-energy-sharing kinematics in Debye plasmas

NASA Astrophysics Data System (ADS)

Li, Jun; Zhang, Song Bin; Ye, Bang Jiao; Wang, Jian Guo; Janev, R. K.

2016-12-01

Low energy electron-impact ionization of hydrogen atom in Debye plasmas has been investigated by employing the exterior complex scaling method. The interactions between the charged particles in the plasma have been represented by Debye-Hückel potentials. Triple differential cross sections (TDCS) in the coplanar equal-energy-sharing geometry at an incident energy of 15.6 eV for different screening lengths are reported. As the screening strength increases, TDCS change significantly. The evolutions of dominant typical peak structures of the TDCS are studied in detail for different screening lengths and for different coplanar equal-energy-sharing geometries.

Structure-based drug design for G protein-coupled receptors.

PubMed

Congreve, Miles; Dias, João M; Marshall, Fiona H

2014-01-01

Our understanding of the structural biology of G protein-coupled receptors has undergone a transformation over the past 5 years. New protein-ligand complexes are described almost monthly in high profile journals. Appreciation of how small molecules and natural ligands bind to their receptors has the potential to impact enormously how medicinal chemists approach this major class of receptor targets. An outline of the key topics in this field and some recent examples of structure- and fragment-based drug design are described. A table is presented with example views of each G protein-coupled receptor for which there is a published X-ray structure, including interactions with small molecule antagonists, partial and full agonists. The possible implications of these new data for drug design are discussed. © 2014 Elsevier B.V. All rights reserved.

Confronting structural violence in sex work: lessons from a community-led HIV prevention project in Mysore, India.

PubMed

Argento, Elena; Reza-Paul, Sushena; Lorway, Robert; Jain, Jinendra; Bhagya, M; Fathima, Mary; Sreeram, S V; Hafeezur, Rahman Syed; O'Neil, John

2011-01-01

Evidence from community-led HIV prevention projects suggests that structural interventions may result in reduced rates of HIV and STIs. The complex relationship between empowerment and confronting stigma, discrimination and physical abuse necessitates further investigation into the impact that such interventions have on the personal risks for sex workers. This article aims to describe lived experiences of members from a sex worker's collective in Mysore, India and how they have confronted structural violence. The narratives highlight experiences of violence and the development and implementation of strategies that have altered the social, physical, and emotional environment for sex workers. Building an enabling environment was key to reducing personal risks inherent to sex work, emphasizing the importance of community-led structural interventions for sex workers in India.

Structure and Kinematics of a Complex Crater: Upheaval Dome, Southeast, Utah

NASA Technical Reports Server (NTRS)

Kriens, B. J.; Herkenhoff, K. E.; Shoemaker, E. M.

1997-01-01

Two vastly different phenomena, extraterrestrial impact and salt diapirism, have been proposed for the origin of Upheaval Dome. Upheaval Dome is a about 2.5-km-diameter structural dome surrounded by a 5-km-diameter ring structural depression, which is in turn flanked by extensive, nearly flat-lying Colorado Plateau strata. Seismic refraction data and geologic mapping indicate that the dome originated by the collapse of a transient cavity formed by impact; data also show that rising salt has had a negligible influence on dome development. Evidence for this includes several factors: (1) a rare lag deposit of impactite is present; (2) fan-tailed fracture surfaces (shatter surfaces) and a few shattercones are present; (3) the top of the underlying salt horizon is at least 500 m below the center of the dome, with no exposures of salt in the dome to support the possibility that a salt diapir has ascended through it; (4) sedimentary strata in the center are significantly imbricated by top-to-the-center thrust faulting and are complexly folded; (5) top-to-the-center low-angle normal faults are found at the perimeter of the structure; and (6) clastic dikes are widespread. The scarcity of melt rocks and shock fabrics is attributed to approximately 0.5 km of erosion; the structures of the dome reflect processes of complex crater development at a depth of about 0.5 km below the crater floor. Based on mapping and kinematic analysis, we infer that the dome formed mainly by centerward motion of rock units along listric faults. Outcrop-scale folding and upturning of beds, especially common in the center, largely resulted from this motion. In addition, we have detected some centerward motion of fault-bounded wedges resulting from displacements on subhorizontal faults that conjoin and die out within horizontal bedding in the perimeter of the structure. Collectively, the observed deformation accounts for the creation of both the central uplift and the encircling ring syncline.

Hill-Climbing search and diversification within an evolutionary approach to protein structure prediction.

PubMed

Chira, Camelia; Horvath, Dragos; Dumitrescu, D

2011-07-30

Proteins are complex structures made of amino acids having a fundamental role in the correct functioning of living cells. The structure of a protein is the result of the protein folding process. However, the general principles that govern the folding of natural proteins into a native structure are unknown. The problem of predicting a protein structure with minimum-energy starting from the unfolded amino acid sequence is a highly complex and important task in molecular and computational biology. Protein structure prediction has important applications in fields such as drug design and disease prediction. The protein structure prediction problem is NP-hard even in simplified lattice protein models. An evolutionary model based on hill-climbing genetic operators is proposed for protein structure prediction in the hydrophobic - polar (HP) model. Problem-specific search operators are implemented and applied using a steepest-ascent hill-climbing approach. Furthermore, the proposed model enforces an explicit diversification stage during the evolution in order to avoid local optimum. The main features of the resulting evolutionary algorithm - hill-climbing mechanism and diversification strategy - are evaluated in a set of numerical experiments for the protein structure prediction problem to assess their impact to the efficiency of the search process. Furthermore, the emerging consolidated model is compared to relevant algorithms from the literature for a set of difficult bidimensional instances from lattice protein models. The results obtained by the proposed algorithm are promising and competitive with those of related methods.

Strontium and neodymium isotope systematics of target rocks and impactites from the El'gygytgyn impact structure: Linking impactites and target rocks

NASA Astrophysics Data System (ADS)

Wegner, Wencke; Koeberl, Christian

2016-12-01

The 3.6 Ma El'gygytgyn structure, located in northeastern Russia on the Chukotka Peninsula, is an 18 km diameter complex impact structure. The bedrock is formed by mostly high-silica volcanic rocks of the 87 Ma old Okhotsk-Chukotka Volcanic Belt (OCVB). Volcanic target rocks and impact glasses collected on the surface, as well as drill core samples of bedrock and impact breccias have been investigated by thermal ionization mass spectrometry (TIMS) to obtain new insights into the relationships between these lithologies in terms of Nd and Sr isotope systematics. Major and trace element data for impact glasses are added to compare with the composition of target rocks and drill core samples. Sr isotope data are useful tracers of alteration processes and Nd isotopes reveal characteristics of the magmatic sources of the target rocks, impact breccias, and impact glasses. There are three types of target rocks mapped on the surface: mafic volcanics, dacitic tuff and lava of the Koekvun' Formation, and dacitic to rhyolitic ignimbrite of the Pykarvaam Formation. The latter represents the main contributor to the impact rocks. The drill core is divided into a suevite and a bedrock section by the Sr isotope data, for which different postimpact alteration regimes have been detected. Impact glasses from the present-day surface did not suffer postimpact hydrothermal alteration and their data indicate a coherent alteration trend in terms of Sr isotopes with the target rocks from the surface. Surprisingly, the target rocks do not show isotopic coherence with the Central Chukotka segment of the OCVB or with the Berlozhya magmatic assemblage (BMA), a late Jurassic felsic volcanic suite that crops out in the eastern part of the central Chukotka segment of the OCVB. However, concordance for these rocks exists with the Okhotsk segment of the OCVB. This finding argues for variable source magmas having contributed to the build-up of the OCVB.

Mononuclear Ni(II) complexes of Schiff base ligands formed from unsymmetrical tripodal amines of differing arm lengths: Spectral, X-ray crystal structural, antimicrobial and DNA cleavage activity

NASA Astrophysics Data System (ADS)

Keypour, Hassan; Shayesteh, Maryam; Rezaeivala, Majid; Dhers, Sébastien; Küp, Fatma Öztürk; Güllü, Mithat; Ng, Seikweng

2017-11-01

The synthesis of two unsymmetrical N-capped tripodal amines, 2-((4-aminobutyl)(pyridin-2-ylmethyl)amino)ethanol (3) and 3-((2-aminoethyl)(pyridin-2-ylmethyl)amino)propan-1-ol (4) is reported. They feature a longer, 3-hydroxypropyl or butylamino arm than that in the analogues previously employed. All four tripodal amines, 1-4, are equipped with a 2-methylpyridyl-arm, and either an ethylamino-arm (1 and 4), propylamino-arm (2) or butylamino-arm (3). The amines, 3 and 4, have been employed in one pot condensation reactions with salicylaldehyde and its derivatives in the presence of Ni(II) metal ion. A series of new mononuclear complexes, [NiIILaldi](ClO4) or [NiIILaldi(solvent)](ClO4) with different geometry, of Schiff base ligands were generated. X-ray crystal structure determinations of [NiIILOMe3(H2O)](ClO4)·2H2O and [NiIILOMe4](ClO4) revealed them to be mononuclear. The Ni(II) ion in [NiIILOMe4](ClO4) complex is in a distorted square-planar environment whilst this ion is in distorted octahedral environment in [NiIILOMe3(H2O)](ClO4)·2H2O complex despite the longer arm length of L3. While, in related systems in our previous work, they had led to dimeric complexes. These results clearly showed that the variation of the arm lengths of the ligands and metal ions has a remarkable impact on the formation and structure of the complexes. The cleavage of DNA by all synthesised complexes was examined using gel electrophoresis experiments. Also, the antibacterial effects of components were determined against the three Gram-positive bacteria, and against the three Gram-negative bacteria and against the three yeast Candida albicans ATCC 10231, Candida krusei ATCC 1424 and Candida tropicalis ATCC 13803.

Peyton's four-step approach for teaching complex spinal manipulation techniques - a prospective randomized trial.

PubMed

Gradl-Dietsch, Gertraud; Lübke, Cavan; Horst, Klemens; Simon, Melanie; Modabber, Ali; Sönmez, Tolga T; Münker, Ralf; Nebelung, Sven; Knobe, Matthias

2016-11-03

The objectives of this prospective randomized trial were to assess the impact of Peyton's four-step approach on the acquisition of complex psychomotor skills and to examine the influence of gender on learning outcomes. We randomly assigned 95 third to fifth year medical students to an intervention group which received instructions according to Peyton (PG) or a control group, which received conventional teaching (CG). Both groups attended four sessions on the principles of manual therapy and specific manipulative and diagnostic techniques for the spine. We assessed differences in theoretical knowledge (multiple choice (MC) exam) and practical skills (Objective Structured Practical Examination (OSPE)) with respect to type of intervention and gender. Participants took a second OSPE 6 months after completion of the course. There were no differences between groups with respect to the MC exam. Students in the PG group scored significantly higher in the OSPE. Gender had no additional impact. Results of the second OSPE showed a significant decline in competency regardless of gender and type of intervention. Peyton's approach is superior to standard instruction for teaching complex spinal manipulation skills regardless of gender. Skills retention was equally low for both techniques.

Insight into cofactor recognition in arylamine N-acetyltransferase enzymes: structure of Mesorhizobium loti arylamine N-acetyltransferase in complex with coenzyme A.

PubMed

Xu, Ximing; Li de la Sierra-Gallay, Inés; Kubiak, Xavier; Duval, Romain; Chaffotte, Alain F; Dupret, Jean Marie; Haouz, Ahmed; Rodrigues-Lima, Fernando

2015-02-01

Arylamine N-acetyltransferases (NATs) are xenobiotic metabolizing enzymes that catalyze the acetyl-CoA-dependent acetylation of arylamines. To better understand the mode of binding of the cofactor by this family of enzymes, the structure of Mesorhizobium loti NAT1 [(RHILO)NAT1] was determined in complex with CoA. The F42W mutant of (RHILO)NAT1 was used as it is well expressed in Escherichia coli and displays enzymatic properties similar to those of the wild type. The apo and holo structures of (RHILO)NAT1 F42W were solved at 1.8 and 2 Å resolution, respectively. As observed in the Mycobacterium marinum NAT1-CoA complex, in (RHILO)NAT1 CoA binding induces slight structural rearrangements that are mostly confined to certain residues of its `P-loop'. Importantly, it was found that the mode of binding of CoA is highly similar to that of M. marinum NAT1 but different from the modes reported for Bacillus anthracis NAT1 and Homo sapiens NAT2. Therefore, in contrast to previous data, this study shows that different orthologous NATs can bind their cofactors in a similar way, suggesting that the mode of binding CoA in this family of enzymes is less diverse than previously thought. Moreover, it supports the notion that the presence of the `mammalian/eukaryotic insertion loop' in certain NAT enzymes impacts the mode of binding CoA by imposing structural constraints.

Effect of substituent groups (R= sbnd CH3, sbnd Br and sbnd CF3) on the structure, stability and redox property of [Cr(R-pic)2(H2O)2]NO3·H2O complexes

NASA Astrophysics Data System (ADS)

Chai, Jie; Liu, Yanfei; Liu, Bin; Yang, Binsheng

2017-12-01

Complexes [Cr(3-CH3-pic)2(H2O)2]NO3·H2O (1), [Cr(5-Br-pic)2(H2O)2]NO3·H2O (2) and [Cr(5-CF3-pic)2(H2O)2]NO3·H2O (3) were synthesized (pic = pyridine-2-carboxylic acid) and characterized by X-ray crystal diffraction. Crystal structure indicates that two bidentate ligands occupy equatorial position and two H2O occupy axial positions in trans-configuration. (i) Decomposition of complexes 1, 2 and 3 in different medium (phosphate buffered saline (PBS), apo-ovotransferrin (apootf) and EDTA) indicates that decomposition rate constants of these complexes follow the sequence of 1 < 2 < 3. (ii) The redox potential of Cr(III)/Cr(II) by cyclic voltammetry follows the sequence of 1 (-1.20 V) > 3 (-1.29 V) > 2 (-1.31 V). (iii) In addition, ·OH-generation of the new synthesized complexes was determined by Fenton-like reaction in comparison with Cr(pic)3, and it may be related to the reduction potential of the complexes. (iv) Moreover, Hammett substituent constants σp (inductive) and σm (resonance) (R = 3-CH3, 5-Br, 5-CF3) were introduced to evaluate the impact of substituent groups on the bond length and decomposition kinetics. The substituent group on the ligand has great effect on the properties of the complexes.

The cyanobacterial cytochrome b6f subunit PetP adopts an SH3 fold in solution.

PubMed

Veit, Sebastian; Nagadoi, Aritaka; Rögner, Matthias; Rexroth, Sascha; Stoll, Raphael; Ikegami, Takahisa

2016-06-01

PetP is a peripheral subunit of the cytochrome b(6)f complex (b(6)f) present in both, cyanobacteria and red algae. It is bound to the cytoplasmic surface of this membrane protein complex where it greatly affects the efficiency of the linear photosynthetic electron flow although it is not directly involved in the electron transfer reactions. Despite the crystal structures of the b(6)f core complex, structural information for the transient regulatory b(6)f subunits is still missing. Here we present the first structure of PetP at atomic resolution as determined by solution NMR. The protein adopts an SH3 fold, which is a common protein motif in eukaryotes but comparatively rare in prokaryotes. The structure of PetP enabled the identification of the potential interaction site for b(6)f binding by conservation mapping. The interaction surface is mainly formed by two large loop regions and one short 310 helix which also exhibit an increased flexibility as indicated by heteronuclear steady-state {(1)H}-(15)N NOE and random coil index parameters. The properties of this potential b(6)f binding site greatly differ from the canonical peptide binding site which is highly conserved in eukaryotic SH3 domains. Interestingly, three other proteins of the photosynthetic electron transport chain share this SH3 fold with PetP: NdhS of the photosynthetic NADH dehydrogenase-like complex (NDH-1), PsaE of the photosystem 1 and subunit α of the ferredoxin-thioredoxin reductase have, similar to PetP, a great impact on the photosynthetic electron transport. Finally, a model is presented to illustrate how SH3 domains modulate the photosynthetic electron transport processes in cyanobacteria. Copyright © 2016 Elsevier B.V. All rights reserved.

A review on recent contribution of meshfree methods to structure and fracture mechanics applications.

PubMed

Daxini, S D; Prajapati, J M

2014-01-01

Meshfree methods are viewed as next generation computational techniques. With evident limitations of conventional grid based methods, like FEM, in dealing with problems of fracture mechanics, large deformation, and simulation of manufacturing processes, meshfree methods have gained much attention by researchers. A number of meshfree methods have been proposed till now for analyzing complex problems in various fields of engineering. Present work attempts to review recent developments and some earlier applications of well-known meshfree methods like EFG and MLPG to various types of structure mechanics and fracture mechanics applications like bending, buckling, free vibration analysis, sensitivity analysis and topology optimization, single and mixed mode crack problems, fatigue crack growth, and dynamic crack analysis and some typical applications like vibration of cracked structures, thermoelastic crack problems, and failure transition in impact problems. Due to complex nature of meshfree shape functions and evaluation of integrals in domain, meshless methods are computationally expensive as compared to conventional mesh based methods. Some improved versions of original meshfree methods and other techniques suggested by researchers to improve computational efficiency of meshfree methods are also reviewed here.

Structural and functional insights into 5'-ppp RNA pattern recognition by the innate immune receptor RIG-I.

PubMed

Wang, Yanli; Ludwig, Janos; Schuberth, Christine; Goldeck, Marion; Schlee, Martin; Li, Haitao; Juranek, Stefan; Sheng, Gang; Micura, Ronald; Tuschl, Thomas; Hartmann, Gunther; Patel, Dinshaw J

2010-07-01

RIG-I is a cytosolic helicase that senses 5'-ppp RNA contained in negative-strand RNA viruses and triggers innate antiviral immune responses. Calorimetric binding studies established that the RIG-I C-terminal regulatory domain (CTD) binds to blunt-end double-stranded 5'-ppp RNA a factor of 17 more tightly than to its single-stranded counterpart. Here we report on the crystal structure of RIG-I CTD bound to both blunt ends of a self-complementary 5'-ppp dsRNA 12-mer, with interactions involving 5'-pp clearly visible in the complex. The structure, supported by mutation studies, defines how a lysine-rich basic cleft within the RIG-I CTD sequesters the observable 5'-pp of the bound RNA, with a stacked phenylalanine capping the terminal base pair. Key intermolecular interactions observed in the crystalline state are retained in the complex of 5'-ppp dsRNA 24-mer and full-length RIG-I under in vivo conditions, as evaluated from the impact of binding pocket RIG-I mutations and 2'-OCH(3) RNA modifications on the interferon response.

Complex Psychiatric Comorbidity of Treatment-Seeking Youth With Autism Spectrum Disorder and Anxiety Symptoms

PubMed Central

HEPBURN, SUSAN L.; STERN, JESSICA A.; BLAKELEY-SMITH, AUDREY; KIMEL, LILA K.; REAVEN, JUDITH A.

2015-01-01

Anxiety disorders and other co-occurring psychiatric disorders significantly impact adaptive functioning for many children with autism spectrum disorder (ASD). This descriptive study examines the complexity of psychiatric comorbidity in treatment-seeking youth with ASD and anxiety symptoms. Forty-two parents of 8- to 14-year-old children with ASD and anxiety symptoms completed a structured psychiatric interview (K-SADS) and provided information about the child’s past and current psychological functioning as part of a screening process to enter an anxiety intervention program. Overall, comorbidity was very complex, with children obtaining an average of 4 psychiatric diagnoses (including anxiety disorders) on a structured clinical interview (range = 0–9). Onset and course differed by psychiatric disorder. Complexity of comorbidity did not differ significantly by age, sex, or autism severity. Despite clinical significance of the symptoms reported, few children were currently (or ever) engaged in mental health treatment or group psychosocial intervention. Although the specificity of the current sample limits the generalizability of these results, findings suggest that treatment-seeking children with ASD and anxiety often present with additional psychiatric symptoms, which supports a transdiagnostic approach to research and intervention in this area. Accurate assessment of comorbidity may provide valuable information for families and clinicians regarding individualized treatment approaches. PMID:25960821

Synthesis, spectroscopic, electrochemical and computational studies of rhenium(i) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives.

PubMed

Klemens, Tomasz; Czerwińska, Katarzyna; Szlapa-Kula, Agata; Kula, Slawomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanisław; Smolarek, Karolina; Maćkowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa; Machura, Barbara

2017-07-25

Nine rhenium(i) complexes possessing three carbonyl groups together with a bidentate coordinated 2,6-di(thiazol-2-yl)pyridine derivative were synthesized to examine the impact of structure modification of the triimine ligand on the photophysical, thermal and electrochemical properties of [ReCl(CO) 3 (4-R n -dtpy-κ 2 N)]. The Re(i) complexes were fully characterized using IR, 1 H and 13 C, HRMS-ESI and single crystal X-ray analysis. Their thermal properties were evaluated using DSC and TGA measurements. Photoluminescence spectra of [ReCl(CO) 3 (4-R n -dtpy-κ 2 N)] were investigated in solution and in the solid state, at 298 and 77 K. Both emission wavelengths and quantum yields of [ReCl(CO) 3 (4-R n -dtpy-κ 2 N)] were found to be structure-related, demonstrating a crucial role of the substituent attached to the 2,6-di(thiazol-2-yl)pyridine skeleton. In order to fully understand the photophysical properties of [ReCl(CO) 3 (4-R n -dtpy-κ 2 N)], density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations were performed. Furthermore, the complexes which showed appropriate solubility in chloroform were tested as an emissive active layer in OLED devices.

Dynamics of the Stratiform Sector of a Tropical Cyclone Rainband

NASA Astrophysics Data System (ADS)

Didlake, A. C.; Houze, R.

2013-12-01

Airborne Doppler radar collected observations of the stationary rainband complex of Hurricane Rita (2005) in exceptional detail. Dynamics of the stationary rainband complex play a large role in the evolution of the tropical cyclone's internal structure. The stratiform sector of the stationary rainband complex occurs on the downwind end of the complex. This stratiform rainband is a mesoscale feature consisting of nearly uniform precipitation and weak vertical velocities from collapsing convective cells. Upward transport and associated latent heating occur within the stratiform cloud layer in the form of rising radial outflow. Below the cloud layer, descending radial inflow was driven by horizontal buoyancy gradients, and thus horizontal vorticity generation, introduced by regions of sublimational and melting cooling. The organization of this transport initially is robust but fades downwind as the convection dissipates. This descending inflow advected higher angular momentum inward, which resulted in the development of a midlevel tangential jet and broadening of the tangential wind field. This circulation may have also contributed to ventilation of the eyewall as inflow of low-entropy air continued past the rainband in both the boundary layer and midlevels. Given the expanse of the stratiform rainband region, its thermodynamic and kinematic impacts likely help to modify the structure and intensity of the overall storm.

Crustal Seismic Structure beneath Portugal (Western Iberia) and the role of Variscan Inheritance

NASA Astrophysics Data System (ADS)

Veludo, Idalina; Afonso Dias, Nuno; Fonseca, Paulo; Matias, Luís; Carrilho, Fernando; Haberland, Christian; Villaseñor, Antonio

2017-04-01

Mainland Portugal comprises most of the Western portion of the Iberian Peninsula, in a geodynamic setting associated with the Africa-Eurasia plate boundary. The crustal structure in Portugal is the result of a complex assemblage history of continental collision and extension with most of the surface is covered by rocks dating to the Variscan orogeny, the coastal ranges dominated by Mesozoic structures and Mesocenozoic basins covering partially the mainland. The impact and extension of this complex tectonic in the structure of the Iberian Lithosphere is still a matter of discussion, especially in its western part beneath Portugal. The existing knowledge relating the observed surface geology and lithospheric structures is sparse and sometimes incoherent, the relation between shallow and deep structures and their lateral extension still widely undetermined. Some questions still pertinent are the role and influence of the several tectonic units and their contacts in the present tectonic regime and in the stress field observed today, and the relation between the anomalous seismicity and associated crustal deformation rates with the inherited structure from past orogenies. In this study we present the results of a local earthquake tomographic study, performed to image this complex crustal structure down to 20 km depth. The relocation of the onshore seismicity recorded in the period 2000-2014 with the new 3D model allows cleansing some of the alignments and their correlation with some of the main active structures in Portugal enabling for the first time to correlate a large number of tectonic features to the small magnitude seismicity pattern. The seismicity distribution also displays a complex pattern, mainly reflecting the interaction between inherited Variscan structures with more recent fault systems created during the rifting stages of the Atlantic and diapir magmatic intrusions. The complex history of the assemblage of the crust beneath Western Iberia is well-marked in the final models. The arcuate shape of the Ibero-Armorican Arc can be perceived over the general pattern of the Vp and Vp/Vs anomalies and the heterogeneity observed on the surface geology are clearly marked in the tomograms. Other significant features are the low Vp values associated with the Mesocenozoic rocks outcropping in the Lusitanian and Algarve basins, and the low Vp and high Vp/Vs values of the sedimentary cover of the Lower-Tagus and Sado Basin. Publication supported by FCT- project UID/GEO/50019/2013 - Instituto Dom Luiz.

High-throughput Crystallography for Structural Genomics

PubMed Central

Joachimiak, Andrzej

2009-01-01

Protein X-ray crystallography recently celebrated its 50th anniversary. The structures of myoglobin and hemoglobin determined by Kendrew and Perutz provided the first glimpses into the complex protein architecture and chemistry. Since then, the field of structural molecular biology has experienced extraordinary progress and now over 53,000 proteins structures have been deposited into the Protein Data Bank. In the past decade many advances in macromolecular crystallography have been driven by world-wide structural genomics efforts. This was made possible because of third-generation synchrotron sources, structure phasing approaches using anomalous signal and cryo-crystallography. Complementary progress in molecular biology, proteomics, hardware and software for crystallographic data collection, structure determination and refinement, computer science, databases, robotics and automation improved and accelerated many processes. These advancements provide the robust foundation for structural molecular biology and assure strong contribution to science in the future. In this report we focus mainly on reviewing structural genomics high-throughput X-ray crystallography technologies and their impact. PMID:19765976

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

The nature of cumulative impacts on biotic diversity of wetland vertebrates

NASA Astrophysics Data System (ADS)

Harris, Larry D.

1988-09-01

There is no longer any doubt that cumulative impacts have important effects on wetland vertebrates. Interactions of species diversity and community structure produce a complex pattern in which environmental impacts can play a highly significant role. Various examples show how wetlands maintain the biotic diversity within and among vertebrate populations, and some of the ways that environmental perturbations can interact to reduce this diversity. The trophic and habitat pyramids are useful organizing concepts. Habitat fragmentation can have severe effects at all levels, reducing the usable range of the larger habitat generalists while threatening the genetic integrity of small, isolated populations. The complexity of trophic interactions, and the propensity, or necessity, of vertebrates to switch from one food source to another—something we know little about—makes using food chain support as a variable for predicting environmental impacts very questionable. Historical instances illustrate the effects of the accumulation of impacts on vertebrates. At present it is nearly impossible to predict the result of three or more different kinds of perturbations, although long-range effects can be observed. One case in point is waterfowl; while their ingestion of lead shot, harvesting by hunters during migration, and loss of habitat have caused waterfowl populations to decline, the proportional responsibility of these factors has not been determined. Further examples show multiplicative effects of similar actions, effects with long time lags, diffuse processes in the landscape that may have concentrated effects on a component subsystem, and a variety of other interactions of increasing complexity. Not only is more information needed at all levels; impacts must be assessed on a landscape or regional scale to produce informed management decisions. I conclude that a system of replicate wetland reserves that are allowed to interact naturally with the surrounding landscape will be more effective in preserving biotic diversity than isolated sanctuaries.

Influence of LaFeO 3 Surface Termination on Water Reactivity

DOE PAGES

Stoerzinger, Kelsey A.; Comes, Ryan; Spurgeon, Steven R.; ...

2017-02-16

The polarity of oxide surfaces can dramatically impact their surface reactivity, in particular, with polar molecules such as water. The surface species that result from this interaction change the oxide electronic structure and chemical reactivity in applications such as photoelectrochemistry but are challenging to probe experimentally. Here, we report a detailed study of the surface chemistry and electronic structure of the perovskite LaFeO 3 in humid conditions using ambient-pressure X-ray photoelectron spectroscopy. In comparing the two possible terminations of the polar (001)-oriented surface, we find that the LaO-terminated surface is more reactive toward water, forming hydroxyl species and adsorbing molecularmore » water at lower relative humidity than its FeO 2-terminated counterpart. But, the FeO 2-terminated surface forms more hydroxyl species during water adsorption at higher humidity, suggesting that adsorbate–adsorbate interactions may impact reactivity. These results demonstrate how the termination of a complex oxide can dramatically impact its reactivity, providing insight that can aid in the design of catalyst materials.« less

Influence of LaFeO 3 Surface Termination on Water Reactivity

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

Stoerzinger, Kelsey A.; Comes, Ryan; Spurgeon, Steven R.

The polarity of oxide surfaces can dramatically impact their surface reactivity, in particular, with polar molecules such as water. The surface species that result from this interaction change the oxide electronic structure and chemical reactivity in applications such as photoelectrochemistry but are challenging to probe experimentally. Here, we report a detailed study of the surface chemistry and electronic structure of the perovskite LaFeO 3 in humid conditions using ambient-pressure X-ray photoelectron spectroscopy. In comparing the two possible terminations of the polar (001)-oriented surface, we find that the LaO-terminated surface is more reactive toward water, forming hydroxyl species and adsorbing molecularmore » water at lower relative humidity than its FeO 2-terminated counterpart. But, the FeO 2-terminated surface forms more hydroxyl species during water adsorption at higher humidity, suggesting that adsorbate–adsorbate interactions may impact reactivity. These results demonstrate how the termination of a complex oxide can dramatically impact its reactivity, providing insight that can aid in the design of catalyst materials.« less

Structural and Functional Elucidation of Yeast Lanosterol 14α-Demethylase in Complex with Agrochemical Antifungals

PubMed Central

Sagatova, Alia A.; Keniya, Mikhail V.; Negroni, Jacopo; Wilson, Rajni K.; Woods, Matthew A.; Monk, Brian C.

2016-01-01

Azole antifungals, known as demethylase inhibitors (DMIs), target sterol 14α-demethylase (CYP51) in the ergosterol biosynthetic pathway of fungal pathogens of both plants and humans. DMIs remain the treatment of choice in crop protection against a wide range of fungal phytopathogens that have the potential to reduce crop yields and threaten food security. We used a yeast membrane protein expression system to overexpress recombinant hexahistidine-tagged S. cerevisiae lanosterol 14α-demethylase and the Y140F or Y140H mutants of this enzyme as surrogates in order characterize interactions with DMIs. The whole-cell antifungal activity (MIC50 values) of both the R- and S-enantiomers of tebuconazole, prothioconazole (PTZ), prothioconazole-desthio, and oxo-prothioconazole (oxo-PTZ) as well as for fluquinconazole, prochloraz and a racemic mixture of difenoconazole were determined. In vitro binding studies with the affinity purified enzyme were used to show tight type II binding to the yeast enzyme for all compounds tested except PTZ and oxo-PTZ. High resolution X-ray crystal structures of ScErg11p6×His in complex with seven DMIs, including four enantiomers, reveal triazole-mediated coordination of all compounds and the specific orientation of compounds within the relatively hydrophobic binding site. Comparison with CYP51 structures from fungal pathogens including Candida albicans, Candida glabrata and Aspergillus fumigatus provides strong evidence for a highly conserved CYP51 structure including the drug binding site. The structures obtained using S. cerevisiae lanosterol 14α-demethylase in complex with these agrochemicals provide the basis for understanding the impact of mutations on azole susceptibility and a platform for the structure-directed design of the next-generation of DMIs. PMID:27907120

Initial Assessment of the Excavation and Deposition of Impact Lithologies Exposed by the Chicxulub Scientific Drilling Project, Yaxcopoil, Mexico

NASA Technical Reports Server (NTRS)

Kring, David A.; Horz, Friedrich; Zurcher, Lukas

2003-01-01

The Chicxulub Scientific Drilling Project (www.icdp-online.de) recovered a continuous core from a depth of 404 m (in Tertiary cover) to 1511 m (in a megablock of Cretaceous target sediments), penetrating approx. 100 m of melt-bearing impactites between 794 and 895 m. The Yaxcopoil-1 (YAX-1) borehole is approx. 60-65 km from the center of the Chicxulub structure, which is approx. 15 km beyond the limit of the estimated approx. 50 km radius transient crater (excavation cavity), but within the rim of the estimated approx. 90 km radius final crater. In general, the impactite sequence is incredibly rich in impact melts of unusual textural variety and complexity, quite unlike melt-bearing impact formations from other terrestrial craters.

Scaling behavior in the dynamics of citations to scientific journals

NASA Astrophysics Data System (ADS)

Picoli, S., Jr.; Mendes, R. S.; Malacarne, L. C.; Lenzi, E. K.

2006-08-01

We analyze a database comprising the impact factor (citations per recent items published) of scientific journals for a 13-year period (1992 2004). We find that i) the distribution of impact factors follows asymptotic power law behavior, ii) the distribution of annual logarithmic growth rates has an exponential form, and iii) the width of this distribution decays with the impact factor as a power law with exponent β simeq 0.22. The results ii) and iii) are surprising similar to those observed in the growth dynamics of organizations with complex internal structure suggesting the existence of common mechanisms underlying the dynamics of these systems. We propose a general model for such systems, an extension of the simplest model for firm growth, and compare their predictions with our empirical results.

Analysis and application of classification methods of complex carbonate reservoirs

NASA Astrophysics Data System (ADS)

Li, Xiongyan; Qin, Ruibao; Ping, Haitao; Wei, Dan; Liu, Xiaomei

2018-06-01

There are abundant carbonate reservoirs from the Cenozoic to Mesozoic era in the Middle East. Due to variation in sedimentary environment and diagenetic process of carbonate reservoirs, several porosity types coexist in carbonate reservoirs. As a result, because of the complex lithologies and pore types as well as the impact of microfractures, the pore structure is very complicated. Therefore, it is difficult to accurately calculate the reservoir parameters. In order to accurately evaluate carbonate reservoirs, based on the pore structure evaluation of carbonate reservoirs, the classification methods of carbonate reservoirs are analyzed based on capillary pressure curves and flow units. Based on the capillary pressure curves, although the carbonate reservoirs can be classified, the relationship between porosity and permeability after classification is not ideal. On the basis of the flow units, the high-precision functional relationship between porosity and permeability after classification can be established. Therefore, the carbonate reservoirs can be quantitatively evaluated based on the classification of flow units. In the dolomite reservoirs, the average absolute error of calculated permeability decreases from 15.13 to 7.44 mD. Similarly, the average absolute error of calculated permeability of limestone reservoirs is reduced from 20.33 to 7.37 mD. Only by accurately characterizing pore structures and classifying reservoir types, reservoir parameters could be calculated accurately. Therefore, characterizing pore structures and classifying reservoir types are very important to accurate evaluation of complex carbonate reservoirs in the Middle East.

Shatter cones: (Mis)understood?

PubMed

Osinski, Gordon R; Ferrière, Ludovic

2016-08-01

Meteorite impact craters are one of the most common geological features in the solar system. An impact event is a near-instantaneous process that releases a huge amount of energy over a very small region on a planetary surface. This results in characteristic changes in the target rocks, from vaporization and melting to solid-state effects, such as fracturing and shock metamorphism. Shatter cones are distinctive striated conical fractures that are considered unequivocal evidence of impact events. They are one of the most used and trusted shock-metamorphic effects for the recognition of meteorite impact structures. Despite this, there is still considerable debate regarding their formation. We show that shatter cones are present in several stratigraphic settings within and around impact structures. Together with the occurrence of complete and "double" cones, our observations are most consistent with shatter cone formation due to tensional stresses generated by scattering of the shock wave due to heterogeneities in the rock. On the basis of field mapping, we derive the relationship D sc = 0.4 D a, where D sc is the maximum spatial extent of in situ shatter cones, and D a is the apparent crater diameter. This provides an important, new, more accurate method to estimate the apparent diameter of eroded complex craters on Earth. We have reestimated the diameter of eight well-known impact craters as part of this study. Finally, we suggest that shatter cones may reduce the strength of the target, thus aiding crater collapse, and that their distribution in central uplifts also records the obliquity of impact.

Shatter cones: (Mis)understood?

PubMed Central

Osinski, Gordon R.; Ferrière, Ludovic

2016-01-01

Meteorite impact craters are one of the most common geological features in the solar system. An impact event is a near-instantaneous process that releases a huge amount of energy over a very small region on a planetary surface. This results in characteristic changes in the target rocks, from vaporization and melting to solid-state effects, such as fracturing and shock metamorphism. Shatter cones are distinctive striated conical fractures that are considered unequivocal evidence of impact events. They are one of the most used and trusted shock-metamorphic effects for the recognition of meteorite impact structures. Despite this, there is still considerable debate regarding their formation. We show that shatter cones are present in several stratigraphic settings within and around impact structures. Together with the occurrence of complete and “double” cones, our observations are most consistent with shatter cone formation due to tensional stresses generated by scattering of the shock wave due to heterogeneities in the rock. On the basis of field mapping, we derive the relationship Dsc = 0.4 Da, where Dsc is the maximum spatial extent of in situ shatter cones, and Da is the apparent crater diameter. This provides an important, new, more accurate method to estimate the apparent diameter of eroded complex craters on Earth. We have reestimated the diameter of eight well-known impact craters as part of this study. Finally, we suggest that shatter cones may reduce the strength of the target, thus aiding crater collapse, and that their distribution in central uplifts also records the obliquity of impact. PMID:27532050

The geomorphology of (21) Lutetia: Results from the OSIRIS imaging system onboard ESA's Rosetta spacecraft

NASA Astrophysics Data System (ADS)

Thomas, N.; Barbieri, C.; Keller, H. U.; Lamy, P.; Rickman, H.; Rodrigo, R.; Sierks, H.; Wenzel, K. P.; Cremonese, G.; Jorda, L.; Küppers, M.; Marchi, S.; Marzari, F.; Massironi, M.; Preusker, F.; Scholten, F.; Stephan, K.; Barucci, M. A.; Besse, S.; El-Maarry, M. R.; Fornasier, S.; Groussin, O.; Hviid, S. F.; Koschny, D.; Kührt, E.; Martellato, E.; Moissl, R.; Snodgrass, C.; Tubiana, C.; Vincent, J.-B.

2012-06-01

The surface of (21) Lutetia is highly complex with significant interactions between ancient and more recent structures. This work attempts to summarize the surface geomorphology observed using the high resolution images from OSIRIS, the imaging system onboard the European Space Agency's Rosetta spacecraft. A wide range of surface morphologies are seen including heavily cratered terrain, extensive sets of lineaments, young impact craters, and a ridge, the height of which is more than 1/5th of the mean radius of the body. Very young and very old terrains (as inferred from crater densities) are seen in close proximity. The longest continuous lineament is over 80 km long. The lineaments show regional-dependent organization and structure. Several categories of lineament can be described. Lineaments radial to impact craters as seen on other asteroidal bodies are mostly absent. Although the lineaments may be of seismic origin (and possibly the result of several impact-induced events), impacts producing recent large craters place constraints on seismic phenomena. In particular, stronger attenuation of shocks than seen on other asteroidal bodies seems to be required. Inhomogeneous energy transport, possibly matching observed inhomogeneous ejecta deposition may offer explanations for some of the observed phenomena. Some impact craters show unusual forms, which are probably the result of impact into a surface with relief comparable to the resultant crater diameter and/or oblique impact. There is evidence that re-surfacing through landslides has occurred at several places on the object.

Stepwise introduction of laparoscopic liver surgery: validation of guideline recommendations.

PubMed

van der Poel, Marcel J; Huisman, Floor; Busch, Olivier R; Abu Hilal, Mohammad; van Gulik, Thomas M; Tanis, Pieter J; Besselink, Marc G

2017-10-01

Uncontrolled introduction of laparoscopic liver surgery (LLS) could compromise postoperative outcomes. A stepwise introduction of LLS combined with structured training is advised. This study aimed to evaluate the impact of such a stepwise introduction. A retrospective, single-center case series assessing short term outcomes of all consecutive LLS in the period November 2006-January 2017. The technique was implemented in a stepwise fashion. To evaluate the impact of this stepwise approach combined with structured training, outcomes of LLS before and after a laparoscopic HPB fellowship were compared. A total of 135 laparoscopic resections were performed. Overall conversion rate was 4% (n = 5), clinically relevant complication rate 13% (n = 18) and mortality 0.7% (n = 1). A significant increase in patients with major LLS, multiple liver resections, previous abdominal surgery, malignancies and lesions located in posterior segments was observed after the fellowship as well as a decrease in the use of hand-assistance. Increasing complexity in the post fellowship period was reflected by an increase in operating times, but without comprising other surgical outcomes. A stepwise introduction of LLS combined with structured training reduced the clinical impact of the learning curve, thereby confirming guideline recommendations. Copyright © 2017 International Hepato-Pancreato-Biliary Association Inc. Published by Elsevier Ltd. All rights reserved.

Where's the Beaverhead beef?. [meteorite impact structure

NASA Technical Reports Server (NTRS)

Hargraves, R. B.

1992-01-01

Only rare quartz grains with single-set planar (1013) deformation features (PDF's) are present in breccia dikes found in association with uniformly oriented shatter cones that occur over an area 8 x 25 km. This suggests that the Beaverhead shocked rocks come from only the outer part of the central uplift of what must have been a large (greater than 100 km diameter) complex impact structure. An impact event of this magnitude on continental crust (thought to have occurred in late Precambrian or ealy Paleozoic time) could be expected to punctuate local geologic history. Furthermore, although it may now be covered, its scar should remain despite all the considerable subsequent erosion/deposition and tectonism since the impact. The following are three large-scale singularities or anomalies that may reflect the event and mark its source. (1) The Lemhi Arch is a major structural uplift that occurred in late Proterozoic-early Paleozoic time in East Central Idaho and caused the erosion of at least 4 km of sedimentary cover. This may be directly related to the impact. (2) Of the many thrust sheets comprising the Cordilleran belt, the Cabin plate that carries the shocked rocks is unique in that it alone intersected the crystalline basement. It also now marks the apex of the Southwest Montana Recess in the Sevier front. The basement uplift remaining from the impact may have constituted a mechanical obstacle to the advancing thrust sheets in Cretaceous time, causing the recess. (3) What could be interpreted as a roughly circular aeromagnetic anomaly approx. 70 km in diameter can be discerned in the state aeromagnetic map centered about 20 km southeast of Challis, Idaho, in the Lost River range. It is in approximately the right place, and ignoring the possibility that the anomalies have diverse causes and the circular pattern is coincidental, it may mark what remains of the buried central uplift structure.

Diversification in the Mexican horned lizard Phrynosoma orbiculare across a dynamic landscape.

PubMed

Bryson, Robert W; García-Vázquez, Uri Omar; Riddle, Brett R

2012-01-01

The widespread montane Mexican horned lizard Phrynosoma orbiculare (Squamata: Phrynosomatidae) represents an ideal species to investigate the relative impacts of Neogene vicariance and Quaternary climate change on lineage diversification across the Mexican highlands. We used mitochondrial DNA to examine the maternal history of P. orbiculare and estimate the timing and tempo of lineage diversification. Based on our results, we inferred 11 geographically structured, well supported mitochondrial lineages within this species, suggesting P. orbiculare represents a species complex. Six divergences between lineages likely occurred during the Late Miocene and Pliocene, and four splits probably happened during the Pleistocene. Diversification rate appeared relatively constant through time. Spatial and temporal divergences between lineages of P. orbiculare and co-distributed taxa suggest that a distinct period of uplifting of the Transvolcanic Belt around 7.5-3 million years ago broadly impacted diversification in taxa associated with this mountain range. To the north, several river drainages acting as filter barriers differentially subdivided co-distributed highland taxa through time. Diversification patterns observed in P. orbiculare provide additional insight into the mechanisms that impacted differentiation of highland taxa across the complex Mexican highlands. Copyright © 2011 Elsevier Inc. All rights reserved.

Controllability of flow-conservation networks

NASA Astrophysics Data System (ADS)

Zhao, Chen; Zeng, An; Jiang, Rui; Yuan, Zhengzhong; Wang, Wen-Xu

2017-07-01

The ultimate goal of exploring complex networks is to control them. As such, controllability of complex networks has been intensively investigated. Despite recent advances in studying the impact of a network's topology on its controllability, a comprehensive understanding of the synergistic impact of network topology and dynamics on controllability is still lacking. Here, we explore the controllability of flow-conservation networks, trying to identify the minimal number of driver nodes that can guide the network to any desirable state. We develop a method to analyze the controllability on flow-conservation networks based on exact controllability theory, transforming the original analysis on adjacency matrix to Laplacian matrix. With this framework, we systematically investigate the impact of some key factors of networks, including link density, link directionality, and link polarity, on the controllability of these networks. We also obtain the analytical equations by investigating the network's structural properties approximatively and design the efficient tools. Finally, we consider some real networks with flow dynamics, finding that their controllability is significantly different from that predicted by only considering the topology. These findings deepen our understanding of network controllability with flow-conservation dynamics and provide a general framework to incorporate real dynamics in the analysis of network controllability.

Control the wettability of poly(n-isopropylacrylamide-co-1-adamantan-1-ylmethyl acrylate) modified surfaces: the more Ada, the bigger impact?

PubMed

Shi, Xiu-Juan; Chen, Gao-Jian; Wang, Yan-Wei; Yuan, Lin; Zhang, Qiang; Haddleton, David M; Chen, Hong

2013-11-19

Surface-initiated SET-LRP was used to synthesize polymer brush containing N-isopropylacrylamide and adamantyl acrylate using Cu(I)Cl/Me6-TREN as precursor catalyst and isopropanol/H2O as solvent. Different reaction conditions were explored to investigate the influence of different parameters (reaction time, catalyst concentration, monomer concentration) on the polymerization. Copolymers with variable 1-adamantan-1-ylmethyl acrylate (Ada) content and comparable thickness were synthesized onto silicon surfaces. Furthermore, the hydrophilic and bioactive molecule β-cyclodextrin-(mannose)7 (CDm) was synthesized and complexed with adamantane via host-guest interaction. The effect of adamantane alone and the effect of CDm together with adamantane on the wettability and thermoresponsive property of surface were investigated in detail. Experimental and molecular structure analysis showed that Ada at certain content together with CDm has the greatest impact on surface wettability. When Ada content was high (20%), copolymer-CDm surfaces showed almost no CDm complexed with Ada as the result of steric hindrance.

Impact of cleaning methods on the structural properties and morphology of SrTiO3 surface

NASA Astrophysics Data System (ADS)

Arnay, Iciar; Rubio-Zuazo, Juan; Castro, German R.

2018-01-01

SrTiO3 is a widely used substrate for the epitaxial growth of complex systems. Nevertheless, in order to get good quality interface and avoid the formation of defects in the adsorbed layer it is essential to prepare the surface of the substrate prior to the deposition. Thermal and chemical treatments are mostly used to eliminate superficial contamination and improve the surface quality. However, there is a lack of information regarding the impact of these treatments on the formation of structural defects at the SrTiO3 surface. In this work we present a detailed characterization of the SrTiO3 surface for the different cleaning methods paying special attention to the formation of oxygen vacancies, large surface mosaicity and roughness. We prove that thermal treatment induces large surface roughness and that chemical etching produces important structural defects at the surface. Our results show that mechanical polishing provided the best compromise in terms of large surface domains, low roughness, absence of oxygen vacancies and absence of atomic structure modification, although with the presence of low level of contaminants at the SrTiO3 surface.

Ion mobility-mass spectrometry as a tool to investigate protein-ligand interactions.

PubMed

Göth, Melanie; Pagel, Kevin

2017-07-01

Ion mobility-mass spectrometry (IM-MS) is a powerful tool for the simultaneous analysis of mass, charge, size, and shape of ionic species. It allows the characterization of even low-abundant species in complex samples and is therefore particularly suitable for the analysis of proteins and their assemblies. In the last few years even complex and intractable species have been investigated successfully with IM-MS and the number of publications in this field is steadily growing. This trend article highlights recent advances in which IM-MS was used to study protein-ligand complexes and in particular focuses on the catch and release (CaR) strategy and collision-induced unfolding (CIU). Graphical Abstract Native mass spectrometry and ion mobility-mass spectrometry are versatile tools to follow the stoichiometry, energetics, and structural impact of protein-ligand binding.

Relationship between mechanical-property and energy-absorption trends for composite tubes

NASA Technical Reports Server (NTRS)

Farley, Gary L.

1992-01-01

U.S. Army helicopters are designed to dissipate prescribed levels of crash impact kinetic energy without compromising the integrity of the fuselage. Because of the complexity of the energy-absorption process it is imperative for designers of energy-absorbing structures to develop an in-depth understanding of how and why composite structures absorb energy. A description of the crushing modes and mechanisms of energy absorption for composite tubes and beams is presented. Three primary crushing modes of composite structures including transverse shearing, lamina bending, and local buckling are described. The experimental data presented show that fiber and matrix mechanical properties and laminate stiffness and strength mechanical properties cannot reliably predict the energy-absorption response of composite tubes.

Block copolymer libraries: modular versatility of the macromolecular Lego system.

PubMed

Lohmeijer, Bas G G; Wouters, Daan; Yin, Zhihui; Schubert, Ulrich S

2004-12-21

The synthesis and characterization of a new 4 x 4 library of block copolymers based on polystyrene and poly(ethylene oxide) connected by an asymmetrical octahedral bis(terpyridine) ruthenium complex at the block junction are described, while initial studies on the thin film morphology of the components of the library are presented by the use of Atomic Force Microscopy, demonstrating the impact of a library approach to derive structure-property relationships.

[Recent fauna of ground-nesting birds in Transvolga steppes and its dynamics in the 20th century].

PubMed

Oparin, M L

2008-01-01

It is shown that the structure of the ground-nesting bird fauna in Transvolga steppes has changed during the 20th century. The complex of lark species characteristic of true and dry steppe has disappeared because of climate change and impact of economic activity (the establishment of windbreak and roadside forest strips), which has provided for a sharp increase in the abundance of corvid birds.

Additive-manufactured sandwich lattice structures: A numerical and experimental investigation

NASA Astrophysics Data System (ADS)

Fergani, Omar; Tronvoll, Sigmund; Brøtan, Vegard; Welo, Torgeir; Sørby, Knut

2017-10-01

The utilization of additive-manufactured lattice structures in engineered products is becoming more and more common as the competitiveness of AM as a production technology has increased during the past several years. Lattice structures may enable important weight reductions as well as open opportunities to build products with customized functional properties, thanks to the flexibility of AM for producing complex geometrical configurations. One of the most critical aspects related to taking AM into new application areas—such as safety critical products—is currently the limited understanding of the mechanical behavior of sandwich-based lattice structure mechanical under static and dynamic loading. In this study, we evaluate manufacturability of lattice structures and the impact of AM processing parameters on the structural behavior of this type of sandwich structures. For this purpose, we conducted static compression testing for a variety of geometry and manufacturing parameters. Further, the study discusses a numerical model capable of predicting the behavior of different lattice structure. A reasonably good correlation between the experimental and numerical results was observed.

Preliminary observations on the impact of complex stress histories on sandstone response to salt weathering: laboratory simulations of process combinations

NASA Astrophysics Data System (ADS)

McCabe, S.; Smith, B. J.; Warke, P. A.

2007-03-01

Historic sandstone structures carry an inheritance, or a ‘memory’, of past stresses that the stone has undergone since its placement in a façade. This inheritance, which conditions present day performance, may be made up of long-term exposure to a combination of low magnitude background environmental factors (for example, salt weathering, temperature and moisture cycling) and, superimposed upon these, less frequent but potentially high magnitude events or ‘exceptional’ factors (for example, lime rendering, severe frost events, fire). The impact of complex histories on the decay pathways of historic sandstone is not clearly understood, but this paper seeks to improve that understanding through the use of a laboratory ‘process combination’ study. Blocks of quartz sandstone (Peakmoor, from NW England) were divided into subsets that experienced different histories (lime rendering and removal, fire and freeze-thaw cycles in isolation and combination) that reflected the event timeline of a real medieval sandstone monument in NE Ireland, Bonamargy Friary (McCabe et al. 2006b). These subsets were then subject to salt weathering cycles using a 10% salt solution of NaCl and MgSO4 that represents the ‘every-day’ stress environment of, for example, sandstone structures in coastal, or polluted urban, location. Block response to salt weathering was monitored by collecting, drying and weighing the debris that was released as blocks were immersed in the salt solution at the beginning of each cycle. The results illustrate the complexity of the stone decay system, showing that seemingly small variations in stress history can produce divergent response to salt weathering cycles. Applied to real-world historic sandstone structures, this concept may help to explain the spatial and temporal variability of sandstone response to background environmental factors on a single façade, and encourage conservators to include the role of stress inheritance when selecting and implementing conservation strategies.

Algological and mycological assessments of the soil state in the impact zone of the Kirovo-Chepetsk Chemical Plant

NASA Astrophysics Data System (ADS)

Dabakh, E. V.; Kondakova, L. V.; Domracheva, L. I.; Zlobin, S. S.

2013-02-01

The chemical and microbiological (on the basis of algae and micromycetes) analysis of the soils was carried out in the region of the Kirovo-Chepetsk Chemical Plant. It has been shown that the complex soil contamination resulted in essential changes in the algal-mycological complexes: the species diversity of the phototrophs decreased, nitrogen-fixing cyanobacteria practically disappeared from the algocenoses, and melanic forms of fungi dominated in the structure of the micromycetal communities. The higher sensitivity of the mycological indication method to the soil contamination was found in comparison with the methods of biotesting on the basis of protozoa and coliform bacteria.

Media framing of complex issues: The case of endangered languages.

PubMed

Rivenburgh, Nancy K

2013-08-01

This study investigates how media frame a global trend that is complex in nature, emergent in terms of scientific understanding, and has public policy implications: the rapid disappearance of languages. It analyzes how English-language media from 15 western, industrialized countries frame the causes and implications of endangered languages over 35 years (1971-2006) - a time period notable for growing, interdisciplinary concerns over the potential negative impacts of losing the world's linguistic diversity. The results reveal a media discourse characterized by three complementary frames that are sympathetic to the plight of endangered languages, but that present the problem, its cause, and societal implications in a logical structure that would promote public complacency.

Effects of Congo red on the drag reduction properties of poly(ethylene oxide) in aqueous solution based on drop impact images.

PubMed

Alkschbirs, Melissa I; Bizotto, Vanessa C; de Oliveira, Marcelo G; Sabadini, Edvaldo

2004-12-21

The presence of very small amounts (ppm) of high-MW polymers in solution produces high levels of drag reduction in a turbulent flow. This phenomenon, often termed as the Toms effect, is highly dependent not only on MW, but also on the flexibility of the macromolecular chain. The Toms effect can be studied through the images of the structures produced after the drop impact against shallow solution surfaces. The splash structures composed of crown, cavity, and Rayleigh jet are highly dependent on the elongational properties of the solution. This work presents the effects of Congo red on the drag reduction properties of poly(ethylene oxide) in aqueous solutions through the analysis of splash structures. Results obtained in this analysis indicate that Congo red molecules act as physical cross-linking agents, decreasing the polymer elasticity and its drag reduction capacity. It was observed that the maximum height of the Rayleigh jet can be used as a sensitive parameter to the complexation between the dye and the polymer molecules.

Trapped in imidazole: how to accumulate multiple photoelectrons on a black-absorbing ruthenium complex.

PubMed

Zedler, Linda; Kupfer, Stephan; de Moraes, Inês Rabelo; Wächtler, Maria; Beckert, Rainer; Schmitt, Michael; Popp, Jürgen; Rau, Sven; Dietzek, Benjamin

2014-03-24

Ruthenium dyes incorporating a 4H-imidazole chromophore as a ligand exhibit a spectrally broad absorption in the UV/Vis region. Furthermore, they show the ability to store two electrons within the 4H-imidazole ligand. These features render them promising molecular systems, for example, as inter- or intramolecular electron relays. To optimize the structures with respect to their electron-storage capability, it is crucial to understand the impact of structural changes accompanying photoinduced charge transfer in the electronic intermediates of multistep electron-transfer processes. The photophysical properties of these (reactive) intermediates might impact the function of the molecular systems quite substantially. However, the spectroscopic study of short-lived intermediates in stepwise multielectron-transfer processes is experimentally challenging. To this end, this contribution reports on the electrochemical generation of anions identical to intermediate structures and their spectroscopic characterization by in situ resonance Raman and UV/Vis spectroelectrochemistry and computational methods. Thereby, an efficient two-electron pathway to the 4H-imidazole electron-accepting ligand is identified. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling of time dependent localized flow shear stress and its impact on cellular growth within additive manufactured titanium implants.

PubMed

Zhang, Ziyu; Yuan, Lang; Lee, Peter D; Jones, Eric; Jones, Julian R

2014-11-01

Bone augmentation implants are porous to allow cellular growth, bone formation and fixation. However, the design of the pores is currently based on simple empirical rules, such as minimum pore and interconnects sizes. We present a three-dimensional (3D) transient model of cellular growth based on the Navier-Stokes equations that simulates the body fluid flow and stimulation of bone precursor cellular growth, attachment, and proliferation as a function of local flow shear stress. The model's effectiveness is demonstrated for two additive manufactured (AM) titanium scaffold architectures. The results demonstrate that there is a complex interaction of flow rate and strut architecture, resulting in partially randomized structures having a preferential impact on stimulating cell migration in 3D porous structures for higher flow rates. This novel result demonstrates the potential new insights that can be gained via the modeling tool developed, and how the model can be used to perform what-if simulations to design AM structures to specific functional requirements. © 2014 Wiley Periodicals, Inc.

Deployable System for Crash-Load Attenuation

NASA Technical Reports Server (NTRS)

Kellas, Sotiris; Jackson, Karen E.

2007-01-01

An externally deployable honeycomb structure is investigated with respect to crash energy management for light aircraft. The new concept utilizes an expandable honeycomb-like structure to absorb impact energy by crushing. Distinguished by flexible hinges between cell wall junctions that enable effortless deployment, the new energy absorber offers most of the desirable features of an external airbag system without the limitations of poor shear stability, system complexity, and timing sensitivity. Like conventional honeycomb, once expanded, the energy absorber is transformed into a crush efficient and stable cellular structure. Other advantages, afforded by the flexible hinge feature, include a variety of deployment options such as linear, radial, and/or hybrid deployment methods. Radial deployment is utilized when omnidirectional cushioning is required. Linear deployment offers better efficiency, which is preferred when the impact orientation is known in advance. Several energy absorbers utilizing different deployment modes could also be combined to optimize overall performance and/or improve system reliability as outlined in the paper. Results from a series of component and full scale demonstration tests are presented as well as typical deployment techniques and mechanisms. LS-DYNA analytical simulations of selected tests are also presented.

Forced migrants involved in setting the agenda and designing research to reduce impacts of complex emergencies: combining Swarm with patient and public involvement.

PubMed

Brainard, Julii Suzanne; Al Assaf, Enana; Omasete, Judith; Leach, Steve; Hammer, Charlotte C; Hunter, Paul R

2017-01-01

The UK's National Institute for Health Research (NIHR) Health Protection Research Unit in Emergency Preparedness and Response was asked to undertake research on how to reduce the impact of complex national/international emergencies on public health. How to focus the research and decide on priority topics was challenging, given the nature of complex events. Using a type of structured brain-storming, the researchers identified the ongoing UK, European and international migration crisis as both complex and worthy of deeper research. To further focus the research, two representatives of forced migrant communities were invited to join the project team as patient and public (PPI) representatives. They attended regular project meetings, insightfully contributed to and advised on practical aspects of potential research areas. The representatives identified cultural obstacles and community needs and helped choose the final research study design, which was to interview forced migrants about their strategies to build emotional resilience and prevent mental illness. The representatives also helped design recruitment documents, and undertake recruitment and interviewer training. Many events with wide-ranging negative health impacts are notable for complexity: lack of predictability, non-linear feedback mechanisms and unexpected consequences. A multi-disciplinary research team was tasked with reducing the public health impacts from complex events, but without a pre-specified topic area or research design. This report describes using patient and public involvement within an adaptable but structured development process to set research objectives and aspects of implementation. An agile adaptive development approach, sometimes described as swarm , was used to identify possible research areas. Swarm is meant to quickly identify strengths and weaknesses of any candidate project, to accelerate early failure before resources are invested. When aspects of the European migration crisis were identified as a potential priority topic area, two representatives of forced migrant communities were recruited to explore possible research ideas. These representatives helped set the specific research objectives and advised on aspects of implementation, still within the swarm framework for project development. Over ten months, many research ideas were considered by the collaborative working group in a series of six group meetings, supplemented by email contact in between. Up to four possible research ideas were scrutinised at any one meeting, with a focus on identifying practical or desirable aspects of each proposed project. Interest settled on a study to solicit original data about successful strategies that forced migrants use to adapt to life in the UK, with an emphasis on successfully promoting resilience and minimizing emotional distress. "Success in resettlement" was identified to be a more novel theme than "barriers to adaption" research. A success approach encourages participation when individuals may find discussion of mental illness stigmatising. The patient representatives helped with design of patient-facing and interview training materials, interviewer training (mock interviews), and aspects of the recruitment. Using patient and public involvement (PPI) within an early failure development approach that itself arises from theory on complex adaptive systems, we successfully implemented a dynamic development process to determine research topic and study design. The PPI representatives were closely involved in setting research objectives and aspects of implementation.

The Mechanics of Impact Basin Formation: Comparisons between Modeling and Geophysical Observations

NASA Astrophysics Data System (ADS)

Stewart, S. T.

2010-12-01

Impact basins are the largest geologic structures on planetary surfaces. Single or multiple ring-shaped scarps or arcuate chains of massifs typically surround basin-sized craters (e.g., larger than about 300 km diameter on the moon [1]). Impact basins also possess central mass anomalies related to ejection of a portion of the crust (and mantle) and uplift of the mantle. I will discuss insights into the mechanics of impact basin formation derived from numerical simulations and focus on features that may be compared with gravity and topography data. The simulations of basin formation use the method of [2] with an improved rheological model that includes dynamic weakening of faults and more accurate treatment of the mantle solidus. Two-dimensional simulations of vertical impacts onto spherical planets utilize a central gravity field, and three-dimensional simulations of oblique impacts include a self-gravity calculation. During the opening and collapse of the transient crater, localization of strain leads to deformation features that are interpreted as deep faults through the lithosphere. Based on simulations of mantle-excavating impacts onto the moon and Mars with thermal gradients that intersect the solidus in the asthenosphere, the final impact structure has three major features: (i) an inner basin filled with melt and bounded by the folded lithosphere, (ii) a broad shallow terrace of faulted and translated lithosphere with an ejecta deposit, and (iii) the surrounding autochthonous lithosphere with radially thinning ejecta. The folded lithosphere is a complex structure that experiences translation inward and then outward again during collapse of the transient cavity. The uplifted mantle within this structure is overlain by a thin layer of hot crustal material. In addition to asymmetry in the excavated material, 45-degree impact events produce an asymmetric terrace feature. The principal observations for comparison to the calculations are the inferred locations of major ring structures (derived from topography and geologic mapping) and the crustal thickness and mantle topography (derived from gravity and topography) [see also 3]. Preliminary comparisons indicate that the simulations produce the major features in the observations. I will present detailed comparisons between simulations and observations for major basins on the moon, including South Pole-Aitken, for different initial lithospheric thicknesses and thermal gradients. [1] Spudis, P.D. (1993) The Geology of Multi-Ring Impact basins: Cambridge University Press. [2] Senft, L.E. and S.T. Stewart (2009) Earth and Planetary Science Letters 287, 471-482. [3] Lillis, R.J., et al. (2010) AGU Fall Meeting.

Predicting Consumer Biomass, Size-Structure, Production, Catch Potential, Responses to Fishing and Associated Uncertainties in the World's Marine Ecosystems.

PubMed

Jennings, Simon; Collingridge, Kate

2015-01-01

Existing estimates of fish and consumer biomass in the world's oceans are disparate. This creates uncertainty about the roles of fish and other consumers in biogeochemical cycles and ecosystem processes, the extent of human and environmental impacts and fishery potential. We develop and use a size-based macroecological model to assess the effects of parameter uncertainty on predicted consumer biomass, production and distribution. Resulting uncertainty is large (e.g. median global biomass 4.9 billion tonnes for consumers weighing 1 g to 1000 kg; 50% uncertainty intervals of 2 to 10.4 billion tonnes; 90% uncertainty intervals of 0.3 to 26.1 billion tonnes) and driven primarily by uncertainty in trophic transfer efficiency and its relationship with predator-prey body mass ratios. Even the upper uncertainty intervals for global predictions of consumer biomass demonstrate the remarkable scarcity of marine consumers, with less than one part in 30 million by volume of the global oceans comprising tissue of macroscopic animals. Thus the apparently high densities of marine life seen in surface and coastal waters and frequently visited abundance hotspots will likely give many in society a false impression of the abundance of marine animals. Unexploited baseline biomass predictions from the simple macroecological model were used to calibrate a more complex size- and trait-based model to estimate fisheries yield and impacts. Yields are highly dependent on baseline biomass and fisheries selectivity. Predicted global sustainable fisheries yield increases ≈4 fold when smaller individuals (< 20 cm from species of maximum mass < 1 kg) are targeted in all oceans, but the predicted yields would rarely be accessible in practice and this fishing strategy leads to the collapse of larger species if fishing mortality rates on different size classes cannot be decoupled. Our analyses show that models with minimal parameter demands that are based on a few established ecological principles can support equitable analysis and comparison of diverse ecosystems. The analyses provide insights into the effects of parameter uncertainty on global biomass and production estimates, which have yet to be achieved with complex models, and will therefore help to highlight priorities for future research and data collection. However, the focus on simple model structures and global processes means that non-phytoplankton primary production and several groups, structures and processes of ecological and conservation interest are not represented. Consequently, our simple models become increasingly less useful than more complex alternatives when addressing questions about food web structure and function, biodiversity, resilience and human impacts at smaller scales and for areas closer to coasts.

Hot spring microbial community composition, morphology, and carbon fixation: implications for interpreting the ancient rock record

NASA Astrophysics Data System (ADS)

Schuler, Caleb G.; Havig, Jeff R.; Hamilton, Trinity L.

2017-11-01

Microbial communities in hydrothermal systems exist in a range of macroscopic morphologies including stromatolites, mats, and filaments. The architects of these structures are typically autotrophic, serving as primary producers. Structures attributed to microbial life have been documented in the rock record dating back to the Archean including recent reports of microbially-related structures in terrestrial hot springs that date back as far as 3.5 Ga. Microbial structures exhibit a range of complexity from filaments to more complex mats and stromatolites and the complexity impacts preservation potential. As a result, interpretation of these structures in the rock record relies on isotopic signatures in combination with overall morphology and paleoenvironmental setting. However, the relationships between morphology, microbial community composition, and primary productivity remain poorly constrained. To begin to address this gap, we examined community composition and carbon fixation in filaments, mats, and stromatolites from the Greater Obsidian Pool Area (GOPA) of the Mud Volcano Area, Yellowstone National Park, WY. We targeted morphologies dominated by bacterial phototrophs located in close proximity within the same pool which are exposed to similar geochemistry as well as bacterial mat, algal filament and chemotrophic filaments from nearby springs. Our results indicate i) natural abundance δ13C values of biomass from these features (-11.0 to -24.3 ‰) are similar to those found in the rock record; ii) carbon uptake rates of photoautotrophic communities is greater than chemoautotrophic; iii) oxygenic photosynthesis, anoxygenic photosynthesis, and chemoautotrophy often contribute to carbon fixation within the same morphology; and iv) increasing phototrophic biofilm complexity corresponds to a significant decrease in rates of carbon fixation—filaments had the highest uptake rates whereas carbon fixation by stromatolites was significantly lower. Our data highlight important differences in primary productivity between structures despite indistinguishable δ13C values of the biomass. Furthermore, low primary productivity by stromatolites compared to other structures underscores the need to consider a larger role for microbial mats and filaments in carbon fixation and O2 generation during the Archean and Proterozoic.

MCL-CAw: a refinement of MCL for detecting yeast complexes from weighted PPI networks by incorporating core-attachment structure

PubMed Central

2010-01-01

Background The reconstruction of protein complexes from the physical interactome of organisms serves as a building block towards understanding the higher level organization of the cell. Over the past few years, several independent high-throughput experiments have helped to catalogue enormous amount of physical protein interaction data from organisms such as yeast. However, these individual datasets show lack of correlation with each other and also contain substantial number of false positives (noise). Over these years, several affinity scoring schemes have also been devised to improve the qualities of these datasets. Therefore, the challenge now is to detect meaningful as well as novel complexes from protein interaction (PPI) networks derived by combining datasets from multiple sources and by making use of these affinity scoring schemes. In the attempt towards tackling this challenge, the Markov Clustering algorithm (MCL) has proved to be a popular and reasonably successful method, mainly due to its scalability, robustness, and ability to work on scored (weighted) networks. However, MCL produces many noisy clusters, which either do not match known complexes or have additional proteins that reduce the accuracies of correctly predicted complexes. Results Inspired by recent experimental observations by Gavin and colleagues on the modularity structure in yeast complexes and the distinctive properties of "core" and "attachment" proteins, we develop a core-attachment based refinement method coupled to MCL for reconstruction of yeast complexes from scored (weighted) PPI networks. We combine physical interactions from two recent "pull-down" experiments to generate an unscored PPI network. We then score this network using available affinity scoring schemes to generate multiple scored PPI networks. The evaluation of our method (called MCL-CAw) on these networks shows that: (i) MCL-CAw derives larger number of yeast complexes and with better accuracies than MCL, particularly in the presence of natural noise; (ii) Affinity scoring can effectively reduce the impact of noise on MCL-CAw and thereby improve the quality (precision and recall) of its predicted complexes; (iii) MCL-CAw responds well to most available scoring schemes. We discuss several instances where MCL-CAw was successful in deriving meaningful complexes, and where it missed a few proteins or whole complexes due to affinity scoring of the networks. We compare MCL-CAw with several recent complex detection algorithms on unscored and scored networks, and assess the relative performance of the algorithms on these networks. Further, we study the impact of augmenting physical datasets with computationally inferred interactions for complex detection. Finally, we analyse the essentiality of proteins within predicted complexes to understand a possible correlation between protein essentiality and their ability to form complexes. Conclusions We demonstrate that core-attachment based refinement in MCL-CAw improves the predictions of MCL on yeast PPI networks. We show that affinity scoring improves the performance of MCL-CAw. PMID:20939868

Inherited structure and coupled crust-mantle lithosphere evolution: Numerical models of Central Australia

NASA Astrophysics Data System (ADS)

Heron, Philip J.; Pysklywec, Russell N.

2016-05-01

Continents have a rich tectonic history that have left lasting crustal impressions. In analyzing Central Australian intraplate orogenesis, complex continental features make it difficult to identify the controls of inherited structure. Here the tectonics of two types of inherited structures (e.g., a thermally enhanced or a rheologically strengthened region) are compared in numerical simulations of continental compression with and without "glacial buzzsaw" erosion. We find that although both inherited structures produce deformation in the upper crust that is confined to areas where material contrasts, patterns of deformation in the deep lithosphere differ significantly. Furthermore, our models infer that glacial buzzsaw erosion has little impact at depth. This tectonic isolation of the mantle lithosphere from glacial processes may further assist in the identification of a controlling inherited structure in intraplate orogenesis. Our models are interpreted in the context of Central Australian tectonics (specifically the Petermann and Alice Springs orogenies).

Artificial crystals with 3d metal and palladium particles subjected to high-temperature heat treatment

NASA Astrophysics Data System (ADS)

Rinkevich, A. B.; Nemytova, O. V.; Perov, D. V.; Samoylovich, M. I.; Kuznetsov, E. A.

2018-04-01

High-temperature heat treatment has valuable impact on the structure and physical properties of artificial crystals with 3d metal and palladium particles. Artificial crystals are obtained by means of introduction of particles into the interspherical voids of opal matrices. The magnetic properties are studied at the temperatures ranging from 2 to 300 K and in fields up to 350 kOe. Microwave properties are investigated in the millimeter frequency range. The complex dielectric permittivity of several nanocomposites is measured. The influence of heat treatment up to 960 °C on the structure of artificial crystals is clarified.

A guide to the visual analysis and communication of biomolecular structural data.

PubMed

Johnson, Graham T; Hertig, Samuel

2014-10-01

Biologists regularly face an increasingly difficult task - to effectively communicate bigger and more complex structural data using an ever-expanding suite of visualization tools. Whether presenting results to peers or educating an outreach audience, a scientist can achieve maximal impact with minimal production time by systematically identifying an audience's needs, planning solutions from a variety of visual communication techniques and then applying the most appropriate software tools. A guide to available resources that range from software tools to professional illustrators can help researchers to generate better figures and presentations tailored to any audience's needs, and enable artistically inclined scientists to create captivating outreach imagery.

Cryptoblemes: A New Discovery with Major Economic Implications and Profound Changes to the Geologic Paradigm

NASA Technical Reports Server (NTRS)

Windolph, J., Jr.; Sutton, J.

1997-01-01

Cryptoblemes are subtle impact shock signatures imprinted by cosmic debris on the crustal surfaces of lunar planetary bodes. These signatures constitute a complex cumulative overprinting of topographic, structural geophysical, and tectonic patterns that have a conspicuous radial centric multiringed symmetry. The geometry and distribution of cryptoblemes on Earth is comparable to the size and density of impact features on lunar planetary surfaces. Analysis of satellite imagery, sea-floor sonar, side-looking radar and aerial photographs of specific sites reveals new criteria for the identification and confirmation of impact-shock signatures. These criteria include joint and foliation patterns with asbestiform minerals, ribbon-quartz, spheroidal weathering, domal exfoliation, pencil shale, and shock spheres, which may originate from hydrocavitation of water-saturated sedimentary rocks. Cryptoblemes may also be associated with breccia pipes, sinkholes, buttes, mesas, and bogs, high-Rn anomalies, nodular concentrations, and earthquake epicenters. Major implications of cryptobleme identification include exploratory targeting of hydrocarbon and mineral deposits and the explanation of their origins. Analysis of known mineral deposits, structural traps and sedimentary basins show a direct correlation with cryptobleme patterns. Significant geologic paradigm shifts related to cryptoblemes include mountain building processes, structural orogenies, induced volcanism, earthquake origins, hydrocarbon diagenesis, formation mineral deposits, continental rifting, and plate movements, magnetic overprinting and local regional, and global geologic extinction and speciation patterns. Two figures provide a comparison between a multiring impact overprint in water and multiring cryptobleme in the U.S. basin range. (Additional information is contained in the original document).

Cell wall pectic arabinans influence the mechanical properties of Arabidopsis thaliana inflorescence stems and their response to mechanical stress.

PubMed

Verhertbruggen, Yves; Marcus, Susan E; Chen, Jianshe; Knox, J Paul

2013-08-01

Little is known of the dynamics of plant cell wall matrix polysaccharides in response to the impact of mechanical stress on plant organs. The capacity of the imposition of a mechanical stress (periodic brushing) to reduce the height of the inflorescence stem of Arabidopsis thaliana seedlings has been used to study the role of pectic arabinans in the mechanical properties and stress responsiveness of a plant organ. The arabinan-deficient-1 (arad1) mutation that affects arabinan structures in epidermal cell walls of inflorescence stems is demonstrated to reduce the impact on inflorescence stem heights caused by mechanical stress. The arabinan-deficient-2 (arad2) mutation, that does not have detectable impact on arabinan structures, is also shown to reduce the impact on stem heights caused by mechanical stress. The LM13 linear arabinan epitope is specifically detected in epidermal cell walls of the younger, flexible regions of inflorescence stems and increases in abundance at the base of inflorescence stems in response to an imposed mechanical stress. The strain (percentage deformation) of stem epidermal cells in the double mutant arad1 × arad2 is lower in unbrushed plants than in wild-type plants, but rises to wild-type levels in response to brushing. The study demonstrates the complexity of arabinan structures within plant cell walls and also that their contribution to cell wall mechanical properties is a factor influencing responsiveness to mechanical stress.

Monitoring biological impacts of space shuttle launches from Vandenberg Air Force Base: Establishment of baseline conditions

NASA Technical Reports Server (NTRS)

Schmaizer, Paul A.; Hinkle, C. Ross

1987-01-01

Space shuttle launches produce environmental impacts resulting from the formation of an exhaust cloud containing hydrogen chloride aerosols and aluminum oxide particulates. Studies have shown that most impacts occur near-field (within 1.5 km) of the launch site while deposition from launches occurs far-field (as distant as 22 km). In order to establish baseline conditions of vegetation and soils in the areas likely to be impacted by shuttle launches from Vandenberg Air Force Base (VAFB), vegetation and soils in the vicinity of Space Launch Complex-6 (SLC-6) were sampled and a vegetation map prepared. The areas likely to be impacted by launches were determined considering the structure of the launch complex, the prevailing winds, the terrain, and predictions of the Rocket Exhaust Effluent Diffusion Model (REEDM). Fifty vegetation transects were established and sampled in March 1986 and resampled in September 1986. A vegetation map was prepared for six Master Planning maps surrounding SLC-6 using LANDSAT Thematic Mapper imagery as well as color and color infrared aerial photography. Soil samples were collected form the 0 to 7.5 cm layer at all transects in the wet season and at a subsample of the transects in the dry season and analyzed for pH, organic matter, conductivity, cation exchange capacity, exchangeable Ca, Mg, Na, K, and Al, available NH3-N, PO4-P, Cu, Fe, Mn, Zn, and TKN.

Bimetallic redox synergy in oxidative palladium catalysis.

PubMed

Powers, David C; Ritter, Tobias

2012-06-19

Polynuclear transition metal complexes, which are embedded in the active sites of many metalloenzymes, are responsible for effecting a diverse array of oxidation reactions in nature. The range of chemical transformations remains unparalleled in the laboratory. With few noteworthy exceptions, chemists have primarily focused on mononuclear transition metal complexes in developing homogeneous catalysis. Our group is interested in the development of carbon-heteroatom bond-forming reactions, with a particular focus on identifying reactions that can be applied to the synthesis of complex molecules. In this context, we have hypothesized that bimetallic redox chemistry, in which two metals participate synergistically, may lower the activation barriers to redox transformations relevant to catalysis. In this Account, we discuss redox chemistry of binuclear Pd complexes and examine the role of binuclear intermediates in Pd-catalyzed oxidation reactions. Stoichiometric organometallic studies of the oxidation of binuclear Pd(II) complexes to binuclear Pd(III) complexes and subsequent C-X reductive elimination from the resulting binuclear Pd(III) complexes have confirmed the viability of C-X bond-forming reactions mediated by binuclear Pd(III) complexes. Metal-metal bond formation, which proceeds concurrently with oxidation of binuclear Pd(II) complexes, can lower the activation barrier for oxidation. We also discuss experimental and theoretical work that suggests that C-X reductive elimination is also facilitated by redox cooperation of both metals during reductive elimination. The effect of ligand modification on the structure and reactivity of binuclear Pd(III) complexes will be presented in light of the impact that ligand structure can exert on the structure and reactivity of binuclear Pd(III) complexes. Historically, oxidation reactions similar to those discussed here have been proposed to proceed via mononuclear Pd(IV) intermediates, and the hypothesis of mononuclear Pd(II/IV) catalysis has guided the successful development of many reactions. Herein we discuss differences between monometallic Pd(IV) and bimetallic Pd(III) redox catalysis. We address whether appreciation of the relevance of bimetallic Pd(III) redox catalysis is of academic interest exclusively, serving to provide a more nuanced description of catalysis, or if the new insight regarding bimetallic Pd(III) chemistry can be a platform to enable future reaction development. To this end, we describe an example in which the hypothesis of bimetallic redox chemistry guided reaction development, leading to the discovery of reactivity distinct from monometallic catalysts.

Thiopeptide antibiotics stimulate biofilm formation in Bacillus subtilis

PubMed Central

Bleich, Rachel; Watrous, Jeramie D.; Dorrestein, Pieter C.; Bowers, Albert A.; Shank, Elizabeth A.

2015-01-01

Bacteria have evolved the ability to produce a wide range of structurally complex natural products historically called “secondary” metabolites. Although some of these compounds have been identified as bacterial communication cues, more frequently natural products are scrutinized for antibiotic activities that are relevant to human health. However, there has been little regard for how these compounds might otherwise impact the physiology of neighboring microbes present in complex communities. Bacillus cereus secretes molecules that activate expression of biofilm genes in Bacillus subtilis. Here, we use imaging mass spectrometry to identify the thiocillins, a group of thiazolyl peptide antibiotics, as biofilm matrix-inducing compounds produced by B. cereus. We found that thiocillin increased the population of matrix-producing B. subtilis cells and that this activity could be abolished by multiple structural alterations. Importantly, a mutation that eliminated thiocillin’s antibiotic activity did not affect its ability to induce biofilm gene expression in B. subtilis. We go on to show that biofilm induction appears to be a general phenomenon of multiple structurally diverse thiazolyl peptides and use this activity to confirm the presence of thiazolyl peptide gene clusters in other bacterial species. Our results indicate that the roles of secondary metabolites initially identified as antibiotics may have more complex effects—acting not only as killing agents, but also as specific modulators of microbial cellular phenotypes. PMID:25713360

General Retarded Contact Self-energies in and beyond the Non-equilibrium Green's Functions Method

NASA Astrophysics Data System (ADS)

Kubis, Tillmann; He, Yu; Andrawis, Robert; Klimeck, Gerhard

2016-03-01

Retarded contact self-energies in the framework of nonequilibrium Green's functions allow to model the impact of lead structures on the device without explicitly including the leads in the actual device calculation. Most of the contact self-energy algorithms are limited to homogeneous or periodic, semi-infinite lead structures. In this work, the complex absorbing potential method is extended to solve retarded contact self-energies for arbitrary lead structures, including irregular and randomly disordered leads. This method is verified for regular leads against common approaches and on physically equivalent, but numerically different irregular leads. Transmission results on randomly alloyed In0.5Ga0.5As structures show the importance of disorder in the leads. The concept of retarded contact self-energies is expanded to model passivation of atomically resolved surfaces without explicitly increasing the device's Hamiltonian.

Magnetorheological Finishing for Imprinting Continuous Phase Plate Structure onto Optical Surfaces

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

Menapace, J A; Dixit, S N; Genin, F Y

2004-01-05

Magnetorheological finishing (MRF) techniques have been developed to manufacture continuous phase plates (CPP's) and custom phase corrective structures on polished fused silica surfaces. These phase structures are important for laser applications requiring precise manipulation and control of beam-shape, energy distribution, and wavefront profile. The MRF's unique deterministic-sub-aperture polishing characteristics make it possible to imprint complex topographical information onto optical surfaces at spatial scale-lengths approaching 1 mm. In this study, we present the results of experiments and model calculations that explore imprinting two-dimensional sinusoidal structures. Results show how the MRF removal function impacts and limits imprint fidelity and what must bemore » done to arrive at a high quality surface. We also present several examples of this imprinting technology for fabrication of phase correction plates and CPPs for use at high fluences.« less

Optimal pollution mitigation in Monterey Bay based on coastal radar data and nonlinear dynamics.

PubMed

Coulliette, Chad; Lekien, Francois; Paduan, Jeffrey D; Haller, George; Marsden, Jerrold E

2007-09-15

High-frequency (HF) radar technology produces detailed velocity maps near the surface of estuaries and bays. The use of velocity data in environmental prediction, nonetheless, remains unexplored. In this paper, we uncover a striking flow structure in coastal radar observations of Monterey Bay, along the California coastline. This complex structure governs the spread of organic contaminants, such as agricultural runoff which is a typical source of pollution in the bay. We show that a HF radar-based pollution release scheme using this flow structure reduces the impact of pollution on the coastal environment in the bay. We predict the motion of the Lagrangian flow structures from finite-time Lyapunov exponents of the coastal HF velocity data. From this prediction, we obtain optimal release times, at which pollution leaves the bay most efficiently.

Knowledge modeling tool for evidence-based design.

PubMed

Durmisevic, Sanja; Ciftcioglu, Ozer

2010-01-01

The aim of this study is to take evidence-based design (EBD) to the next level by activating available knowledge, integrating new knowledge, and combining them for more efficient use by the planning and design community. This article outlines a framework for a performance-based measurement tool that can provide the necessary decision support during the design or evaluation of a healthcare environment by estimating the overall design performance of multiple variables. New knowledge in EBD adds continuously to complexity (the "information explosion"), and it becomes impossible to consider all aspects (design features) at the same time, much less their impact on final building performance. How can existing knowledge and the information explosion in healthcare-specifically the domain of EBD-be rendered manageable? Is it feasible to create a computational model that considers many design features and deals with them in an integrated way, rather than one at a time? The found evidence is structured and readied for computation through a "fuzzification" process. The weights are calculated using an analytical hierarchy process. Actual knowledge modeling is accomplished through a fuzzy neural tree structure. The impact of all inputs on the outcome-in this case, patient recovery-is calculated using sensitivity analysis. Finally, the added value of the model is discussed using a hypothetical case study of a patient room. The proposed model can deal with the complexities of various aspects and the relationships among variables in a coordinated way, allowing existing and new pieces of evidence to be integrated in a knowledge tree structure that facilitates understanding of the effects of various design interventions on overall design performance.

Complex small pelagic fish population patterns arising from individual behavioral responses to their environment

NASA Astrophysics Data System (ADS)

Brochier, Timothée; Auger, Pierre-Amaël; Pecquerie, Laure; Machu, Eric; Capet, Xavier; Thiaw, Modou; Mbaye, Baye Cheikh; Braham, Cheikh-Baye; Ettahiri, Omar; Charouki, Najib; Sène, Ousseynou Ndaw; Werner, Francisco; Brehmer, Patrice

2018-05-01

Small pelagic fish (SPF) species are heavily exploited in eastern boundary upwelling systems (EBUS) as their transformation products are increasingly used in the world's food chain. Management relies on regular monitoring, but there is a lack of robust theories for the emergence of the populations' traits and their evolution in highly variable environments. This work aims to address existing knowledge gaps by combining physical and biogeochemical modelling with an individual life-cycle based model applied to round sardinella (Sardinella aurita) off northwest Africa, a key species for regional food security. Our approach focused on the processes responsible for seasonal migrations, spatio-temporal size-structure, and interannual biomass fluctuations. Emergence of preferred habitat resulted from interactions between natal homing behavior and environmental variability that impacts early life stages. Exploration of the environment by the fishes was determined by swimming capabilities, mesoscale to regional habitat structure, and horizontal currents. Fish spatio-temporal abundance variability emerged from a complex combination of distinct life-history traits. An alongshore gradient in fish size distributions is reported and validated by in situ measurements. New insights into population structure are provided, within an area where the species is abundant year-round (Mauritania) and with latitudinal migrations of variable (300-1200 km) amplitude. Interannual biomass fluctuations were linked to modulations of fish recruitment over the Sahara Bank driven by variability in alongshore current intensity. The identified processes constitute an analytical framework that can be implemented in other EBUS and used to explore impacts of regional climate change on SPF.

Is scale-up of community mobilisation among sex workers really possible in complex urban environments? The case of Mumbai, India.

PubMed

Kongelf, Anine; Bandewar, Sunita V S; Bharat, Shalini; Collumbien, Martine

2015-01-01

In the last decade, community mobilisation (CM) interventions targeting female sex workers (FSWs) have been scaled-up in India's national response to the HIV epidemic. This included the Bill and Melinda Gates Foundation's Avahan programme which adopted a business approach to plan and manage implementation at scale. With the focus of evaluation efforts on measuring effectiveness and health impacts there has been little analysis thus far of the interaction of the CM interventions with the sex work industry in complex urban environments. Between March and July 2012 semi-structured, in-depth interviews and focus group discussions were conducted with 63 HIV intervention implementers, to explore challenges of HIV prevention among FSWs in Mumbai. A thematic analysis identified contextual factors that impact CM implementation. Large-scale interventions are not only impacted by, but were shown to shape the dynamic social context. Registration practices and programme monitoring were experienced as stigmatising, reflected in shifting client preferences towards women not disclosing as 'sex workers'. This combined with urban redevelopment and gentrification of traditional red light areas, forcing dispersal and more 'hidden' ways of solicitation, further challenging outreach and collectivisation. Participants reported that brothel owners and 'pimps' continued to restrict access to sex workers and the heterogeneous 'community' of FSWs remains fragmented with high levels of mobility. Stakeholder engagement was poor and mobilising around HIV prevention not compelling. Interventions largely failed to respond to community needs as strong target-orientation skewed activities towards those most easily measured and reported. Large-scale interventions have been impacted by and contributed to an increasingly complex sex work environment in Mumbai, challenging outreach and mobilisation efforts. Sex workers remain a vulnerable and disempowered group needing continued support and more comprehensive services.