PDBFlex: exploring flexibility in protein structures

PubMed Central

Hrabe, Thomas; Li, Zhanwen; Sedova, Mayya; Rotkiewicz, Piotr; Jaroszewski, Lukasz; Godzik, Adam

2016-01-01

The PDBFlex database, available freely and with no login requirements at http://pdbflex.org, provides information on flexibility of protein structures as revealed by the analysis of variations between depositions of different structural models of the same protein in the Protein Data Bank (PDB). PDBFlex collects information on all instances of such depositions, identifying them by a 95% sequence identity threshold, performs analysis of their structural differences and clusters them according to their structural similarities for easy analysis. The PDBFlex contains tools and viewers enabling in-depth examination of structural variability including: 2D-scaling visualization of RMSD distances between structures of the same protein, graphs of average local RMSD in the aligned structures of protein chains, graphical presentation of differences in secondary structure and observed structural disorder (unresolved residues), difference distance maps between all sets of coordinates and 3D views of individual structures and simulated transitions between different conformations, the latter displayed using JSMol visualization software. PMID:26615193

Super-spiral structures of bi-stable spiral waves and a new instability of spiral waves

NASA Astrophysics Data System (ADS)

Gao, Jian; Wang, Qun; Lü, Huaping

2017-10-01

A new type of super-spiral structure and instability of spiral waves (in numerical simulation) are investigated. Before the period-doubling bifurcation of this system, the super-spiral structure occurs caused by phase trajectory selection. This type of super-spiral structure is totally different from the super-spiral structure observed early. Although the spiral rotates, the super-spiral structure is stationary. Observably, fully turbulence of the system occurs suddenly which has no process of instability. The forming principle of this instability may have applications in cardiology.

A new crystal form of Aspergillus oryzae catechol oxidase and evaluation of copper site structures in coupled binuclear copper enzymes.

PubMed

Penttinen, Leena; Rutanen, Chiara; Saloheimo, Markku; Kruus, Kristiina; Rouvinen, Juha; Hakulinen, Nina

2018-01-01

Coupled binuclear copper (CBC) enzymes have a conserved type 3 copper site that binds molecular oxygen to oxidize various mono- and diphenolic compounds. In this study, we found a new crystal form of catechol oxidase from Aspergillus oryzae (AoCO4) and solved two new structures from two different crystals at 1.8-Å and at 2.5-Å resolutions. These structures showed different copper site forms (met/deoxy and deoxy) and also differed from the copper site observed in the previously solved structure of AoCO4. We also analysed the electron density maps of all of the 56 CBC enzyme structures available in the protein data bank (PDB) and found that many of the published structures have vague copper sites. Some of the copper sites were then re-refined to find a better fit to the observed electron density. General problems in the refinement of metalloproteins and metal centres are discussed.

Origins of Moiré Patterns in CVD-grown MoS2 Bilayer Structures at the Atomic Scales.

PubMed

Wang, Jin; Namburu, Raju; Dubey, Madan; Dongare, Avinash M

2018-06-21

The chemical vapor deposition (CVD)-grown two-dimensional molybdenum disulfide (MoS 2 ) structures comprise of flakes of few layers with different dimensions. The top layers are relatively smaller in size than the bottom layers, resulting in the formation of edges/steps across adjacent layers. The strain response of such few-layer terraced structures is therefore likely to be different from exfoliated few-layered structures with similar dimensions without any terraces. In this study, the strain response of CVD-grown few-layered MoS 2 terraced structures is investigated at the atomic scales using classic molecular dynamics (MD) simulations. MD simulations suggest that the strain relaxation of CVD-grown triangular terraced structures is observed in the vertical displacement of the atoms across the layers that results in the formation of Moiré patterns. The Moiré islands are observed to nucleate at the corners or edges of the few-layered structure and propagate inwards under both tensile and compressive strains. The nucleation of these islands is observed to happen at tensile strains of ~ 2% and at compressive strains of ~2.5%. The vertical displacements of the atoms and the dimensions of the Moiré islands predicted using the MD simulation are in excellent agreement with that observed experimentally.

Diagnosing the Dynamics of Observed and Simulated Ecosystem Gross Primary Productivity with Time Causal Information Theory Quantifiers

PubMed Central

Sippel, Sebastian; Mahecha, Miguel D.; Hauhs, Michael; Bodesheim, Paul; Kaminski, Thomas; Gans, Fabian; Rosso, Osvaldo A.

2016-01-01

Data analysis and model-data comparisons in the environmental sciences require diagnostic measures that quantify time series dynamics and structure, and are robust to noise in observational data. This paper investigates the temporal dynamics of environmental time series using measures quantifying their information content and complexity. The measures are used to classify natural processes on one hand, and to compare models with observations on the other. The present analysis focuses on the global carbon cycle as an area of research in which model-data integration and comparisons are key to improving our understanding of natural phenomena. We investigate the dynamics of observed and simulated time series of Gross Primary Productivity (GPP), a key variable in terrestrial ecosystems that quantifies ecosystem carbon uptake. However, the dynamics, patterns and magnitudes of GPP time series, both observed and simulated, vary substantially on different temporal and spatial scales. We demonstrate here that information content and complexity, or Information Theory Quantifiers (ITQ) for short, serve as robust and efficient data-analytical and model benchmarking tools for evaluating the temporal structure and dynamical properties of simulated or observed time series at various spatial scales. At continental scale, we compare GPP time series simulated with two models and an observations-based product. This analysis reveals qualitative differences between model evaluation based on ITQ compared to traditional model performance metrics, indicating that good model performance in terms of absolute or relative error does not imply that the dynamics of the observations is captured well. Furthermore, we show, using an ensemble of site-scale measurements obtained from the FLUXNET archive in the Mediterranean, that model-data or model-model mismatches as indicated by ITQ can be attributed to and interpreted as differences in the temporal structure of the respective ecological time series. At global scale, our understanding of C fluxes relies on the use of consistently applied land models. Here, we use ITQ to evaluate model structure: The measures are largely insensitive to climatic scenarios, land use and atmospheric gas concentrations used to drive them, but clearly separate the structure of 13 different land models taken from the CMIP5 archive and an observations-based product. In conclusion, diagnostic measures of this kind provide data-analytical tools that distinguish different types of natural processes based solely on their dynamics, and are thus highly suitable for environmental science applications such as model structural diagnostics. PMID:27764187

Structural studies of Pseudomonas and Chromobacterium ω-aminotransferases provide insights into their differing substrate specificity.

PubMed

Sayer, Christopher; Isupov, Michail N; Westlake, Aaron; Littlechild, Jennifer A

2013-04-01

The crystal structures and inhibitor complexes of two industrially important ω-aminotransferase enzymes from Pseudomonas aeruginosa and Chromobacterium violaceum have been determined in order to understand the differences in their substrate specificity. The two enzymes share 30% sequence identity and use the same amino acceptor, pyruvate; however, the Pseudomonas enzyme shows activity towards the amino donor β-alanine, whilst the Chromobacterium enzyme does not. Both enzymes show activity towards S-α-methylbenzylamine (MBA), with the Chromobacterium enzyme having a broader substrate range. The crystal structure of the P. aeruginosa enzyme has been solved in the holo form and with the inhibitor gabaculine bound. The C. violaceum enzyme has been solved in the apo and holo forms and with gabaculine bound. The structures of the holo forms of both enzymes are quite similar. There is little conformational difference observed between the inhibitor complex and the holoenzyme for the P. aeruginosa aminotransferase. In comparison, the crystal structure of the C. violaceum gabaculine complex shows significant structural rearrangements from the structures of both the apo and holo forms of the enzyme. It appears that the different rigidity of the protein scaffold contributes to the substrate specificity observed for the two ω-aminotransferases.

When structure affects function--the need for partial volume effect correction in functional and resting state magnetic resonance imaging studies.

PubMed

Dukart, Juergen; Bertolino, Alessandro

2014-01-01

Both functional and also more recently resting state magnetic resonance imaging have become established tools to investigate functional brain networks. Most studies use these tools to compare different populations without controlling for potential differences in underlying brain structure which might affect the functional measurements of interest. Here, we adapt a simulation approach combined with evaluation of real resting state magnetic resonance imaging data to investigate the potential impact of partial volume effects on established functional and resting state magnetic resonance imaging analyses. We demonstrate that differences in the underlying structure lead to a significant increase in detected functional differences in both types of analyses. Largest increases in functional differences are observed for highest signal-to-noise ratios and when signal with the lowest amount of partial volume effects is compared to any other partial volume effect constellation. In real data, structural information explains about 25% of within-subject variance observed in degree centrality--an established resting state connectivity measurement. Controlling this measurement for structural information can substantially alter correlational maps obtained in group analyses. Our results question current approaches of evaluating these measurements in diseased population with known structural changes without controlling for potential differences in these measurements.

Genetic structure, diversity, and inbreeding of eastern white pine under different management conditions

Treesearch

Paula E. Marquardt; Craig S. Echt; Bryan K. Epperson; Dan M. Pubanz

2007-01-01

Resource sustainability requires a thorough understanding of the influence of forest management programs on the conservation of genetic diversity in tree populations. To observe how differences in forest structure affect the genetic structure of eastern white pine (Pinus strobus L.), we evaluated six eastern white pine sites across the 234000 acre (1...

Identification of Complex Carbon Nanotube Structures

NASA Technical Reports Server (NTRS)

Han, Jie; Saini, Subhash (Technical Monitor)

1998-01-01

A variety of complex carbon nanotube (CNT) structures have been observed experimentally. These include sharp bends, branches, tori, and helices. They are believed to be formed by using topological defects such as pentagons and heptagons to connect different CNT. The effects of type, number, and arrangement (separation and orientation) of defects on atomic structures and energetics of complex CNT are investigated using topology, quantum mechanics and molecular mechanics calculations. Energetically stable models are derived for identification of observed complex CNT structures.

The Science ELF: Assessing the enquiry levels framework as a heuristic for professional development

NASA Astrophysics Data System (ADS)

Wheeler, Lindsay B.; Bell, Randy L.; Whitworth, Brooke A.; Maeng, Jennifer L.

2015-01-01

This study utilized an explanatory sequential mixed methods approach to explore randomly assigned treatment and control participants' frequency of inquiry instruction in secondary science classrooms. Eleven treatment participants received professional development (PD) that emphasized a structured approach to inquiry instruction, while 10 control participants received no PD. Two representative treatment participants were interviewed and observed to provide an in-depth understanding of inquiry instruction and factors affecting implementation. Paired t-tests were used to analyze quantitative data from observation forms, and a constant comparative approach was used to analyze qualitative data from surveys, interviews, purposeful observations and artifacts. Results indicated that treatment participants implemented inquiry significantly more frequently than control participants (p < .01). Two treatment participants' instruction revealed that both used a similar structure of inquiry but employed different types of interactions and emphasized different scientific practices. These differences may be explained by the participants' understandings of and beliefs about inquiry and structuring inquiry. The present study has the potential to inform how methods of structuring inquiry instruction and teaching scientific practices are addressed in teacher preparation.

Characterization, Microbial Community Structure, and Pathogen Occurrence in Urban Faucet Biofilms in South China

PubMed Central

Lin, Huirong; Zhang, Shuting; Gong, Song; Zhang, Shenghua; Yu, Xin

2015-01-01

The composition and microbial community structure of the drinking water system biofilms were investigated using microstructure analysis and 454 pyrosequencing technique in Xiamen city, southeast of China. SEM (scanning electron microscope) results showed different features of biofilm morphology in different fields of PVC pipe. Extracellular matrix material and sparse populations of bacteria (mainly rod-shaped and coccoid) were observed. CLSM (confocal laser scanning microscope) revealed different distributions of attached cells, extracellular proteins, α-polysaccharides, and β-polysaccharides. The biofilms had complex bacterial compositions. Differences in bacteria diversity and composition from different tap materials and ages were observed. Proteobacteria was the common and predominant group in all biofilms samples. Some potential pathogens (Legionellales, Enterobacteriales, Chromatiales, and Pseudomonadales) and corrosive microorganisms were also found in the biofilms. This study provides the information of characterization and visualization of the drinking water biofilms matrix, as well as the microbial community structure and opportunistic pathogens occurrence. PMID:26273617

[Study on ultra-structural pathological changes of rats poisoned by tetramine].

PubMed

Zhi, Chuan-hong; Liu, Liang; Liu, Yan

2005-05-01

To observe ultra-structural pathological changes of materiality viscera of rats poisoned by different dose of tetramine and to study the toxic mechanism. Acute and subacute tetramine toxicity models were made by oral administration with different dose of tetramine. Brain, heart, liver, spleen and kidney were extracted and observed by electromicroscopic examination. The injuries of brain cells, cardiocytes and liver cells were induced by different dose of tetramine. These were not obviously different of the injuries of the kindy cells and spleen cells of rats poisoned by different dose of tetramine. Ultra-structural pathological changes were abserved including mitochondria slight swelling and neurolemma's array turbulence in the brain cells, mitochondria swelling or abolish and rupture of muscle fiber in the heart cells, mitochondria swelling and the glycogen decreased in the liver cells. The toxic target organs of tetramine are the heart, brain and liver.

Rotational spectra of propargyl alcohol dimer: A dimer bound with three different types of hydrogen bonds

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

Mani, Devendra; Arunan, E., E-mail: arunan@ipc.iisc.ernet.in

2014-10-28

Pure rotational spectra of the propargyl alcohol dimer and its three deuterium isotopologues have been observed in the 4 to 13 GHz range using a pulsed-nozzle Fourier transform microwave spectrometer. For the parent dimer, a total of 51 transitions could be observed and fitted within experimental uncertainty. For two mono-substituted and one bi-substituted deuterium isotopologues, a total of 14, 17, and 19 transitions were observed, respectively. The observed rotational constants for the parent dimer [A = 2321.8335(4) MHz, B = 1150.4774(2) MHz, and C = 1124.8898(2) MHz] are close to those of the most stable structure predicted by ab initiomore » calculations. Spectra of the three deuterated isotopologues and Kraitchman analysis positively confirm this structure. Geometrical parameters and “Atoms in Molecules” analysis on the observed structure reveal that the two propargyl alcohol units in the dimer are bound by three different types of hydrogen bonds: O–H⋯O, O–H⋯π, and C–H⋯π. To the best of our knowledge, propargyl alcohol seems to be the smallest molecule forming a homodimer with three different points of contact.« less

VISIBILITY OF STRUCTURES OF RELEVANCE FOR PATIENTS WITH CYSTIC FIBROSIS IN CHEST TOMOSYNTHESIS: INFLUENCE OF ANATOMICAL LOCATION AND OBSERVER EXPERIENCE.

PubMed

Meltzer, Carin; Båth, Magnus; Kheddache, Susanne; Ásgeirsdóttir, Helga; Gilljam, Marita; Johnsson, Åse Allansdotter

2016-06-01

The aims of this study were to assess the visibility of pulmonary structures in patients with cystic fibrosis (CF) in digital tomosynthesis (DTS) using computed tomography (CT) as reference and to investigate the dependency on anatomical location and observer experience. Anatomical structures in predefined regions of CT images from 21 patients were identified. Three observers with different levels of experience rated the visibility of the structures in DTS by performing a head-to-head comparison with visibility in CT. Visibility of the structures in DTS was reported as equal to CT in 34 %, inferior in 52 % and superior in 14 % of the ratings. Central and peripheral lateral structures received higher visibility ratings compared with peripheral structures anteriorly, posteriorly and surrounding the diaphragm (p ≤ 0.001). Reported visibility was significantly higher for the most experienced observer (p ≤ 0.01). The results indicate that minor pathology can be difficult to visualise with DTS depending on location and observer experience. Central and peripheral lateral structures are generally well depicted. © The Author 2016. Published by Oxford University Press.

VISIBILITY OF STRUCTURES OF RELEVANCE FOR PATIENTS WITH CYSTIC FIBROSIS IN CHEST TOMOSYNTHESIS: INFLUENCE OF ANATOMICAL LOCATION AND OBSERVER EXPERIENCE

PubMed Central

Meltzer, Carin; Båth, Magnus; Kheddache, Susanne; Ásgeirsdóttir, Helga; Gilljam, Marita; Johnsson, Åse Allansdotter

2016-01-01

The aims of this study were to assess the visibility of pulmonary structures in patients with cystic fibrosis (CF) in digital tomosynthesis (DTS) using computed tomography (CT) as reference and to investigate the dependency on anatomical location and observer experience. Anatomical structures in predefined regions of CT images from 21 patients were identified. Three observers with different levels of experience rated the visibility of the structures in DTS by performing a head-to-head comparison with visibility in CT. Visibility of the structures in DTS was reported as equal to CT in 34 %, inferior in 52 % and superior in 14 % of the ratings. Central and peripheral lateral structures received higher visibility ratings compared with peripheral structures anteriorly, posteriorly and surrounding the diaphragm (p ≤ 0.001). Reported visibility was significantly higher for the most experienced observer (p ≤ 0.01). The results indicate that minor pathology can be difficult to visualise with DTS depending on location and observer experience. Central and peripheral lateral structures are generally well depicted. PMID:26842827

River Flow Impacts Bacterial and Archaeal Community Structure in Surface Sediments in the Northern Gulf of Mexico.

PubMed

Ortmann, Alice C; Brannock, Pamela M; Wang, Lei; Halanych, Kenneth M

2018-04-17

Meiobenthic community structure in the northern Gulf of Mexico has been shown to be driven by geographical differences due to inshore-offshore gradients and location relative to river discharge. Samples collected along three transects spanning Mobile Bay, Alabama, showed significant differences in meiobenthic communities east of the bay compared to those sampled from the west. In contrast, analysis of bacterial and archaeal communities from the same sediment samples shows that the inshore-offshore gradient has minimal impact on their community structure. Significant differences in community structure were observed for Bacteria and Archaea between the east and west samples, but there was no difference in richness or diversity. Grouped by sediment type, higher richness was observed in silty samples compared to sandy samples. Significant differences were also observed among sediment types for community structure with bacteria communities in silty samples having more anaerobic sulfate reducers compared to aerobic heterotrophs, which had higher abundances in sandy sediments. This is likely due to increased organic matter in the silty sediments from the overlying river leading to low oxygen habitats. Most archaeal sequences represented poorly characterized high-level taxa, limiting interpretation of their distributions. Overlap between groups based on transect and sediment characteristics made determining which factor is more important in structuring bacterial and archaeal communities difficult. However, both factors are driven by discharge from the Mobile River. Although inshore-offshore gradients do not affect Bacteria or Archaea to the same extent as the meiobenthic communities, all three groups are strongly affected by sediment characteristics.

The Large-scale Structure of the Universe: Probes of Cosmology and Structure Formation

NASA Astrophysics Data System (ADS)

Noh, Yookyung

The usefulness of large-scale structure as a probe of cosmology and structure formation is increasing as large deep surveys in multi-wavelength bands are becoming possible. The observational analysis of large-scale structure guided by large volume numerical simulations are beginning to offer us complementary information and crosschecks of cosmological parameters estimated from the anisotropies in Cosmic Microwave Background (CMB) radiation. Understanding structure formation and evolution and even galaxy formation history is also being aided by observations of different redshift snapshots of the Universe, using various tracers of large-scale structure. This dissertation work covers aspects of large-scale structure from the baryon acoustic oscillation scale, to that of large scale filaments and galaxy clusters. First, I discuss a large- scale structure use for high precision cosmology. I investigate the reconstruction of Baryon Acoustic Oscillation (BAO) peak within the context of Lagrangian perturbation theory, testing its validity in a large suite of cosmological volume N-body simulations. Then I consider galaxy clusters and the large scale filaments surrounding them in a high resolution N-body simulation. I investigate the geometrical properties of galaxy cluster neighborhoods, focusing on the filaments connected to clusters. Using mock observations of galaxy clusters, I explore the correlations of scatter in galaxy cluster mass estimates from multi-wavelength observations and different measurement techniques. I also examine the sources of the correlated scatter by considering the intrinsic and environmental properties of clusters.

Investigating the structural transitions of proteins during dissolution by mass spectrometry.

PubMed

Gong, Xiaoyun; Xiong, Xingchuang; Qi, Lin; Fang, Xiang

2017-03-01

An appropriate solvent environment is essential for the implementation of biological functions of proteins. Interactions between protein residues and solvent molecules are of great importance for proteins to maintain their active structure and catalyze biochemical reactions. In this study, we investigated such interactions and studied the structural transitions of proteins during their dissolution process. Our previously developed technique, namely solvent assisted electric field induced desorption/ionization, was used for the dissolution and immediate ionization of proteins. Different solvents and proteins were involved in the investigation. According to the results, cytochrome c underwent significant unfolding during dissolution in the most commonly used NH 4 Ac buffer. The unfolding got more serious when the concentration of NH 4 Ac was further increased. Extending the dissolution time resulted in the re-folding of cytochrome c. In comparison, no unfolding was observed if cytochrome c was pre-dissolved in NH 4 Ac buffer and detected by nano-ESI. Furthermore, no unfolding was observed during the dissolution process of cytochrome c in water. Interactions between the residues of cytochrome c and the solute of NH 4 Ac might be the reason for the unfolding phenomenon. Similar unfolding phenomenon was observed on holo-myoglobin. However, the observed dissolution feature of insulin was different. No unfolding was observed on insulin during dissolution in NH 4 Ac buffers. Insulin underwent observable unfolding when water was used for dissolution. This might be due to the structural difference between different proteins. The obtained results in the present study furthered our insights into the interactions between proteins and the solvents during the phase transition of dissolution. Copyright © 2016 Elsevier B.V. All rights reserved.

Diagnosing the Dynamics of Observed and Simulated Ecosystem Gross Primary Productivity with Time Causal Information Theory Quantifiers

DOE PAGES

Sippel, Sebastian; Lange, Holger; Mahecha, Miguel D.; ...

2016-10-20

Data analysis and model-data comparisons in the environmental sciences require diagnostic measures that quantify time series dynamics and structure, and are robust to noise in observational data. This paper investigates the temporal dynamics of environmental time series using measures quantifying their information content and complexity. The measures are used to classify natural processes on one hand, and to compare models with observations on the other. The present analysis focuses on the global carbon cycle as an area of research in which model-data integration and comparisons are key to improving our understanding of natural phenomena. We investigate the dynamics of observedmore » and simulated time series of Gross Primary Productivity (GPP), a key variable in terrestrial ecosystems that quantifies ecosystem carbon uptake. However, the dynamics, patterns and magnitudes of GPP time series, both observed and simulated, vary substantially on different temporal and spatial scales. Here we demonstrate that information content and complexity, or Information Theory Quantifiers (ITQ) for short, serve as robust and efficient data-analytical and model benchmarking tools for evaluating the temporal structure and dynamical properties of simulated or observed time series at various spatial scales. At continental scale, we compare GPP time series simulated with two models and an observations-based product. This analysis reveals qualitative differences between model evaluation based on ITQ compared to traditional model performance metrics, indicating that good model performance in terms of absolute or relative error does not imply that the dynamics of the observations is captured well. Furthermore, we show, using an ensemble of site-scale measurements obtained from the FLUXNET archive in the Mediterranean, that model-data or model-model mismatches as indicated by ITQ can be attributed to and interpreted as differences in the temporal structure of the respective ecological time series. At global scale, our understanding of C fluxes relies on the use of consistently applied land models. Here, we use ITQ to evaluate model structure: The measures are largely insensitive to climatic scenarios, land use and atmospheric gas concentrations used to drive them, but clearly separate the structure of 13 different land models taken from the CMIP5 archive and an observations-based product. In conclusion, diagnostic measures of this kind provide data-analytical tools that distinguish different types of natural processes based solely on their dynamics, and are thus highly suitable for environmental science applications such as model structural diagnostics.« less

Diagnosing the Dynamics of Observed and Simulated Ecosystem Gross Primary Productivity with Time Causal Information Theory Quantifiers

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

Sippel, Sebastian; Lange, Holger; Mahecha, Miguel D.

Data analysis and model-data comparisons in the environmental sciences require diagnostic measures that quantify time series dynamics and structure, and are robust to noise in observational data. This paper investigates the temporal dynamics of environmental time series using measures quantifying their information content and complexity. The measures are used to classify natural processes on one hand, and to compare models with observations on the other. The present analysis focuses on the global carbon cycle as an area of research in which model-data integration and comparisons are key to improving our understanding of natural phenomena. We investigate the dynamics of observedmore » and simulated time series of Gross Primary Productivity (GPP), a key variable in terrestrial ecosystems that quantifies ecosystem carbon uptake. However, the dynamics, patterns and magnitudes of GPP time series, both observed and simulated, vary substantially on different temporal and spatial scales. Here we demonstrate that information content and complexity, or Information Theory Quantifiers (ITQ) for short, serve as robust and efficient data-analytical and model benchmarking tools for evaluating the temporal structure and dynamical properties of simulated or observed time series at various spatial scales. At continental scale, we compare GPP time series simulated with two models and an observations-based product. This analysis reveals qualitative differences between model evaluation based on ITQ compared to traditional model performance metrics, indicating that good model performance in terms of absolute or relative error does not imply that the dynamics of the observations is captured well. Furthermore, we show, using an ensemble of site-scale measurements obtained from the FLUXNET archive in the Mediterranean, that model-data or model-model mismatches as indicated by ITQ can be attributed to and interpreted as differences in the temporal structure of the respective ecological time series. At global scale, our understanding of C fluxes relies on the use of consistently applied land models. Here, we use ITQ to evaluate model structure: The measures are largely insensitive to climatic scenarios, land use and atmospheric gas concentrations used to drive them, but clearly separate the structure of 13 different land models taken from the CMIP5 archive and an observations-based product. In conclusion, diagnostic measures of this kind provide data-analytical tools that distinguish different types of natural processes based solely on their dynamics, and are thus highly suitable for environmental science applications such as model structural diagnostics.« less

Observations of peculiar sporadic sodium structures and their relation with wind variations

NASA Astrophysics Data System (ADS)

Sridharan, S.; Prasanth, P. Vishnu; Kumar, Y. Bhavani; Ramkumar, Geetha; Sathishkumar, S.; Raghunath, K.

2009-04-01

Resonance lidar observations of sodium density in the upper mesosphere region over Gadanki (13.5°N, 79.2°E) rarely show complex structures with rapid enhancements of sodium density, completely different from normal sporadic sodium structures. The hourly averaged meteor radar zonal winds over Trivandrum (8.5°N, 76.5°E) show an eastward shear with altitude during the nights, when these events are formed. As suggested by Kane et al. [2001. Joint observations of sodium enhancements and field-aligned ionospheric irregularities. Geophysical Research Letters 28, 1375-1378], our observations show that the complex structures may be formed due to Kelvin-Helmholtz instability, which can occur in the region of strong wind shear.

Structural Equation Model Trees

PubMed Central

Brandmaier, Andreas M.; von Oertzen, Timo; McArdle, John J.; Lindenberger, Ulman

2015-01-01

In the behavioral and social sciences, structural equation models (SEMs) have become widely accepted as a modeling tool for the relation between latent and observed variables. SEMs can be seen as a unification of several multivariate analysis techniques. SEM Trees combine the strengths of SEMs and the decision tree paradigm by building tree structures that separate a data set recursively into subsets with significantly different parameter estimates in a SEM. SEM Trees provide means for finding covariates and covariate interactions that predict differences in structural parameters in observed as well as in latent space and facilitate theory-guided exploration of empirical data. We describe the methodology, discuss theoretical and practical implications, and demonstrate applications to a factor model and a linear growth curve model. PMID:22984789

Evolution of Precipitation Structure During the November DYNAMO MJO Event: Cloud-Resolving Model Intercomparison and Cross Validation Using Radar Observations

NASA Astrophysics Data System (ADS)

Li, Xiaowen; Janiga, Matthew A.; Wang, Shuguang; Tao, Wei-Kuo; Rowe, Angela; Xu, Weixin; Liu, Chuntao; Matsui, Toshihisa; Zhang, Chidong

2018-04-01

Evolution of precipitation structures are simulated and compared with radar observations for the November Madden-Julian Oscillation (MJO) event during the DYNAmics of the MJO (DYNAMO) field campaign. Three ground-based, ship-borne, and spaceborne precipitation radars and three cloud-resolving models (CRMs) driven by observed large-scale forcing are used to study precipitation structures at different locations over the central equatorial Indian Ocean. Convective strength is represented by 0-dBZ echo-top heights, and convective organization by contiguous 17-dBZ areas. The multi-radar and multi-model framework allows for more stringent model validations. The emphasis is on testing models' ability to simulate subtle differences observed at different radar sites when the MJO event passed through. The results show that CRMs forced by site-specific large-scale forcing can reproduce not only common features in cloud populations but also subtle variations observed by different radars. The comparisons also revealed common deficiencies in CRM simulations where they underestimate radar echo-top heights for the strongest convection within large, organized precipitation features. Cross validations with multiple radars and models also enable quantitative comparisons in CRM sensitivity studies using different large-scale forcing, microphysical schemes and parameters, resolutions, and domain sizes. In terms of radar echo-top height temporal variations, many model sensitivity tests have better correlations than radar/model comparisons, indicating robustness in model performance on this aspect. It is further shown that well-validated model simulations could be used to constrain uncertainties in observed echo-top heights when the low-resolution surveillance scanning strategy is used.

Variability of the Structural Coloration in Two Butterfly Species with Different Prezygotic Mating Strategies

PubMed Central

Kertész, Krisztián; Bálint, Zsolt; Biró, László Péter

2016-01-01

Structural coloration variability was investigated in two Blue butterfly species that are common in Hungary. The males of Polyommatus icarus (Common Blue) and Plebejus argus (Silver-studded Blue) use their blue wing coloration for conspecific recognition. Despite living in the same type of habitat, these two species display differences in prezygotic mating strategy: the males of P. icarus are patrolling, while P. argus males have sedentary behavior. Therefore, the species-specific photonic nanoarchitecture, which is the source of the structural coloration, may have been subjected to different evolutionary effects. Despite the increasing interest in photonic nanoarchitectures of biological origin, there is a lack of studies focused on the biological variability of structural coloration that examine a statistically relevant number of individuals from the same species. To investigate possible structural color variation within the same species in populations separated by large geographical distances, climatic differences, or applied experimental conditions, one has to be able to compare these variations to the normal biological variability within a single population. The structural coloration of the four wings of 25 male individuals (100 samples for each species) was measured and compared using different light-collecting setups: perpendicular and with an integrating sphere. Significant differences were found in the near UV wavelength region that are perceptible by these polyommatine butterflies but are invisible to human observers. The differences are attributed to the differences in the photonic nanoarchitecture in the scales of these butterflies. Differences in the intensity of structural coloration were also observed and were tentatively attributed to the different prezygotic mating strategies of these insects. Despite the optical complexity of the scale covered butterfly wings, for sufficiently large sample batches, the averaged normal incidence measurements and the averaged measurements using an integrating sphere are in agreement. PMID:27832120

Variability of the Structural Coloration in Two Butterfly Species with Different Prezygotic Mating Strategies.

PubMed

Piszter, Gábor; Kertész, Krisztián; Bálint, Zsolt; Biró, László Péter

2016-01-01

Structural coloration variability was investigated in two Blue butterfly species that are common in Hungary. The males of Polyommatus icarus (Common Blue) and Plebejus argus (Silver-studded Blue) use their blue wing coloration for conspecific recognition. Despite living in the same type of habitat, these two species display differences in prezygotic mating strategy: the males of P. icarus are patrolling, while P. argus males have sedentary behavior. Therefore, the species-specific photonic nanoarchitecture, which is the source of the structural coloration, may have been subjected to different evolutionary effects. Despite the increasing interest in photonic nanoarchitectures of biological origin, there is a lack of studies focused on the biological variability of structural coloration that examine a statistically relevant number of individuals from the same species. To investigate possible structural color variation within the same species in populations separated by large geographical distances, climatic differences, or applied experimental conditions, one has to be able to compare these variations to the normal biological variability within a single population. The structural coloration of the four wings of 25 male individuals (100 samples for each species) was measured and compared using different light-collecting setups: perpendicular and with an integrating sphere. Significant differences were found in the near UV wavelength region that are perceptible by these polyommatine butterflies but are invisible to human observers. The differences are attributed to the differences in the photonic nanoarchitecture in the scales of these butterflies. Differences in the intensity of structural coloration were also observed and were tentatively attributed to the different prezygotic mating strategies of these insects. Despite the optical complexity of the scale covered butterfly wings, for sufficiently large sample batches, the averaged normal incidence measurements and the averaged measurements using an integrating sphere are in agreement.

Structural studies of Pseudomonas and Chromobacterium ω-aminotransferases provide insights into their differing substrate specificity

PubMed Central

Sayer, Christopher; Isupov, Michail N.; Westlake, Aaron; Littlechild, Jennifer A.

2013-01-01

The crystal structures and inhibitor complexes of two industrially important ω-aminotransferase enzymes from Pseudomonas aeruginosa and Chromobacterium violaceum have been determined in order to understand the differences in their substrate specificity. The two enzymes share 30% sequence identity and use the same amino acceptor, pyruvate; however, the Pseudomonas enzyme shows activity towards the amino donor β-alanine, whilst the Chromobacterium enzyme does not. Both enzymes show activity towards S-α-methylbenzylamine (MBA), with the Chromobacterium enzyme having a broader substrate range. The crystal structure of the P. aeruginosa enzyme has been solved in the holo form and with the inhibitor gabaculine bound. The C. violaceum enzyme has been solved in the apo and holo forms and with gabaculine bound. The structures of the holo forms of both enzymes are quite similar. There is little conformational difference observed between the inhibitor complex and the holoenzyme for the P. aeruginosa aminotransferase. In comparison, the crystal structure of the C. violaceum gabaculine complex shows significant structural rearrangements from the structures of both the apo and holo forms of the enzyme. It appears that the different rigidity of the protein scaffold contributes to the substrate specificity observed for the two ω-­aminotransferases. PMID:23519665

Leaving Group Ability Observably Affects Transition State Structure in a Single Enzyme Active Site.

PubMed

Roston, Daniel; Demapan, Darren; Cui, Qiang

2016-06-15

A reaction's transition state (TS) structure plays a critical role in determining reactivity and has important implications for the design of catalysts, drugs, and other applications. Here, we explore TS structure in the enzyme alkaline phosphatase using hybrid Quantum Mechanics/Molecular Mechanics simulations. We find that minor perturbations to the substrate have major effects on TS structure and the way the enzyme stabilizes the TS. Substrates with good leaving groups (LGs) have little cleavage of the phosphorus-LG bond at the TS, while substrates with poor LGs have substantial cleavage of that bond. The results predict nonlinear free energy relationships for a single rate-determining step, and substantial differences in kinetic isotope effects for different substrates; both trends were observed in previous experimental studies, although the original interpretations differed from the present model. Moreover, due to different degrees of phosphorus-LG bond cleavage at the TS for different substrates, the LG is stabilized by different interactions at the TS: while a poor LG is directly stabilized by an active site zinc ion, a good LG is mainly stabilized by active site water molecules. Our results demonstrate the considerable plasticity of TS structure and stabilization in enzymes. Furthermore, perturbations to reactivity that probe TS structure experimentally (i.e., substituent effects) may substantially perturb the TS they aim to probe, and thus classical experimental approaches such as free energy relations should be interpreted with care.

The Epidemiology of Observed Temperament: Factor Structure and Demographic Group Differences

PubMed Central

Willoughby, Michael T.; Stifter, Cynthia A.; Gottfredson, Nisha C.

2015-01-01

This study investigated the factor structure of observational indicators of children’s temperament that were collected across the first three years of life in the Family Life Project (N = 1205) sample. A four-factor model (activity level, fear, anger, regulation), which corresponded broadly to Rothbart’s distinction between reactivity and regulation, provided an acceptable fit the observed data. Tests of measurement invariance demonstrated that a majority of the observational indicators exhibited comparable measurement properties for male vs. female, black vs. white, and poor vs. not-poor children, which improved the generalizability of these results. Unadjusted demographic group comparisons revealed small to moderate sized differences (Cohen ds = |.23 – .42|) in temperamental reactivity and moderate to large sized differences (Cohen ds = −.64 – −.97) in regulation. Collectively, demographic variables explained more of the variation in regulation (R2 = .25) than in reactivity (R2 = .02 – .06). Follow-up analyses demonstrated that race differences were substantially diminished in magnitude and better accounted for by poverty. These results help to validate the distinction between temperamental reactivity and regulation using observational indicators. PMID:25733489

Ion spectral structures observed by the Van Allen Probes

NASA Astrophysics Data System (ADS)

Ferradas, C.; Zhang, J.; Spence, H. E.; Kistler, L. M.; Larsen, B.; Reeves, G. D.; Skoug, R. M.; Funsten, H. O.

2015-12-01

During the last decades several missions have recorded the presence of dynamic spectral features of energetic ions in the inner magnetosphere. Previous studies have reported single "nose-like" structures occurring alone and simultaneous nose-like structures (up to three). These ion structures are named after the characteristic shapes of energy bands or gaps in the energy-time spectrograms of in situ measured ion fluxes. They constitute the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. The HOPE mass spectrometer onboard the Van Allen Probes measures energetic hydrogen, helium, and oxygen ions near the inner edge of the plasma sheet, where these ion structures are observed. We present a statistical study of nose-like structures, using 2-years measurements from the HOPE instrument. The results provide important details about the spatial distribution (dependence on geocentric distance), spectral features of the structures (differences among species), and geomagnetic conditions under which these structures occur.

Iridescence from photonic crystals and its suppression in butterfly scales

PubMed Central

Poladian, Leon; Wickham, Shelley; Lee, Kwan; Large, Maryanne C.J.

2008-01-01

Regular three-dimensional periodic structures have been observed in the scales of over half a dozen butterfly species. We compare several of these structures: we calculate their photonic bandgap properties; measure the angular variation of the reflection spectra; and relate the observed iridescence (or its suppression) to the structures. We compare the mechanisms for iridescence suppression in different species and conclude with some speculations about form, function, development and evolution. PMID:18980932

Formation mechanism of photo-induced nested wrinkles on siloxane-photomonomer hybrid film

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

Suzuki, Kazumasa; International Laboratory of Materials Science and Nanotechnology; Laboratorio di Scienz

Nested wrinkle structures, hierarchical surface wrinkles of different periodicities of sub-μm and tens-μm, have been fabricated on a siloxane-photomonomer hybrid film via a photo-induced surface polymerization of acrylamide. The formation mechanism of the nested wrinkle structures is examined based on a time-dependent structure observation and chemical composition analyses. In-situ observation of the evolving surface structure showed that sub-μm scale wrinkles first formed, subsequently the tens-μm scale ones did. In-situ FT-IR analysis indicated that the nested wrinkles formation took place along with the development of siloxane network of under layer. A cross sectional observation of the film revealed that the filmmore » was composed of three layers. FT-IR spectra of the film revealed that the surface and interior layers were polyacrylamide rich layer and siloxane-polymer rich layer, respectively. The intermediate layer formed as a diffusion layer by migration of acrylamide from interior to the surface. These three layers have different chemical compositions and therefore different mechanical characteristics, which allows the wrinkle formation. Shrinkage of siloxane-polymer interior layers, as a result of polycondensation of siloxane network, induced mechanical instabilities at interlayers, to form the nested wrinkle structures.« less

Observations and Modeling of the Nighttime Electron Density Enhancement in the Mid-latitude Ionosphere

NASA Astrophysics Data System (ADS)

Chen, C.; Saito, A.; Lin, C.; Huba, J. D.; Liu, J. G.

2010-12-01

In this study, we compare the observational data from FORMOSAT-3/COSMIC and theoretical model results performed by SAMI2 (Sami2 is Another Model of the Ionosphere) for studying the longitudinal structure of the Mid-latitude Summer Nighttime Anomaly (MSNA). In order to study the occurrence of the nighttime electron density enhancement, we defined MSNA index by the ratio of the difference of the nighttime and daytime electron densities. The observational results by the FORMOSAT-3/COSMIC satellites show that there are three obvious nighttime electron density enhancement areas around South American, European, and Northeast Asian regions during local summer. The SAMI2 model can also successfully reproduce the ionospheric MSNA structure during local summer on both hemispheres, except for Northeast Asian region. This difference between observation and model simulation may be caused by the difference between the neutral wind model and the real winds. The physical mechanisms for the longitudinal structure of the MSNA are investigated in the different model conditions. Results show that the equatorward meridional neutral winds can drive the electron density up to a higher altitude along the magnetic field lines and the longer plasma production rate by solar EUV at higher latitudes in the summer time can provide the electron density source in the nighttime ionosphere. We concluded that the combination effect by the neutral wind and the plasma production rate play the important role of the MSNA longitudinal structure.

Within-Year Changes of Lesson Structure: An Exploration of Pedagogical Functions of Lessons by Means of Multilevel Growth Curve Modelling in Indonesia

ERIC Educational Resources Information Center

Maulana, Ridwan; Opdenakker, Marie-Christine; den Brok, Perry

2015-01-01

Teaching is undoubtedly complex and the complexity of classroom practice implies that the structure of lessons making up teaching may differ and subject to change over time. The aims of this study were to investigate changes in observed lesson structure, and explore the effects of several teacher and contextual characteristics on differences in…

How a Spatial Arrangement of Secondary Structure Elements Is Dispersed in the Universe of Protein Folds

PubMed Central

Minami, Shintaro; Sawada, Kengo; Chikenji, George

2014-01-01

It has been known that topologically different proteins of the same class sometimes share the same spatial arrangement of secondary structure elements (SSEs). However, the frequency by which topologically different structures share the same spatial arrangement of SSEs is unclear. It is important to estimate this frequency because it provides both a deeper understanding of the geometry of protein folds and a valuable suggestion for predicting protein structures with novel folds. Here we clarified the frequency with which protein folds share the same SSE packing arrangement with other folds, the types of spatial arrangement of SSEs that are frequently observed across different folds, and the diversity of protein folds that share the same spatial arrangement of SSEs with a given fold, using a protein structure alignment program MICAN, which we have been developing. By performing comprehensive structural comparison of SCOP fold representatives, we found that approximately 80% of protein folds share the same spatial arrangement of SSEs with other folds. We also observed that many protein pairs that share the same spatial arrangement of SSEs belong to the different classes, often with an opposing N- to C-terminal direction of the polypeptide chain. The most frequently observed spatial arrangement of SSEs was the 2-layer α/β packing arrangement and it was dispersed among as many as 27% of SCOP fold representatives. These results suggest that the same spatial arrangements of SSEs are adopted by a wide variety of different folds and that the spatial arrangement of SSEs is highly robust against the N- to C-terminal direction of the polypeptide chain. PMID:25243952

VLA Observation of Seyfert Galaxy MRK 6

NASA Astrophysics Data System (ADS)

Xu, C.; Baum, S. A.; O'Dea, C.; Colbert, E. J. M.

1997-12-01

We have obtained deep radio observation of the Seyfert 1.5 galaxy Mrk6 with all VLA configurations at 6 and 20 cm. We confirm the existence of two pairs of diffuse low surface brightness radio lobes at different scales and orientations. The larger pair of lobes extend ( ~ 40" or 20 kpc) ~ 30(deg) NW-SE, and is evidence of starburst-driven superwind as suggested in Baum et. al (1993). The outer lobes are roughly perpendicular to a set of inner lobes which extend ( ~ 4" or 2 kpc) E-W and are in turn perpendicular to the inner jets imaged by Kukula et. al (1996). Both pairs of lobes appear to have shell-like structures, as implied by the observed anti-symmetric emission morphology which might be due to limb brightening as a result of increasing optical depth at the line of sight. The width of each structure is comparable to the length of the next smaller structure suggesting a "self-similar" (and possibly dynamical) relationship between these structures. These nested "bubble-like" structures with different orientations pose a challenge to the current paradigm of energy transport in Seyfert galaxies.

Overview of refinement procedures within REFMAC5: utilizing data from different sources.

PubMed

Kovalevskiy, Oleg; Nicholls, Robert A; Long, Fei; Carlon, Azzurra; Murshudov, Garib N

2018-03-01

Refinement is a process that involves bringing into agreement the structural model, available prior knowledge and experimental data. To achieve this, the refinement procedure optimizes a posterior conditional probability distribution of model parameters, including atomic coordinates, atomic displacement parameters (B factors), scale factors, parameters of the solvent model and twin fractions in the case of twinned crystals, given observed data such as observed amplitudes or intensities of structure factors. A library of chemical restraints is typically used to ensure consistency between the model and the prior knowledge of stereochemistry. If the observation-to-parameter ratio is small, for example when diffraction data only extend to low resolution, the Bayesian framework implemented in REFMAC5 uses external restraints to inject additional information extracted from structures of homologous proteins, prior knowledge about secondary-structure formation and even data obtained using different experimental methods, for example NMR. The refinement procedure also generates the `best' weighted electron-density maps, which are useful for further model (re)building. Here, the refinement of macromolecular structures using REFMAC5 and related tools distributed as part of the CCP4 suite is discussed.

Ion nose spectral structures observed by the Van Allen Probes

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

Ferradas, C. P.; Zhang, J. -C.; Spence, H. E.

Here, we present a statistical study of nose-like structures observed in energetic hydrogen, helium, and oxygen ions near the inner edge of the plasma sheet. Nose structures are spectral features named after the characteristic shapes of energy bands or gaps in the energy-time spectrograms of in situ measured ion fluxes. Using 22 months of observations from the Helium Oxygen Proton Electron (HOPE) instrument onboard Van Allen Probe A, we determine the number of noses observed, and the minimum L-shell reached and energy of each nose on each pass through the inner magnetosphere. We find that multiple noses occur more frequentlymore » in heavy ions than in H +, and are most often observed during quiet times. The heavy-ion noses penetrate to lower L shells than H + noses and there is an energy-magnetic local time (MLT) dependence in the nose locations and energies that is similar for all species. The observations are interpreted using a steady-state model of ion drift in the inner magnetosphere. The model is able to explain the energy and MLT dependence of the different types of nose structures. Different ion charge exchange lifetimes are the main cause for the deeper penetration of heavy-ion noses. The species dependence and preferred geomagnetic conditions of multiple-nose events indicate that they must be on long drift paths, leading to strong charge-exchange effects. The results provide important insight into the spatial distribution, species dependence, and geomagnetic conditions under which nose structures occur.« less

Ion nose spectral structures observed by the Van Allen Probes

DOE PAGES

Ferradas, C. P.; Zhang, J. -C.; Spence, H. E.; ...

2016-11-22

Here, we present a statistical study of nose-like structures observed in energetic hydrogen, helium, and oxygen ions near the inner edge of the plasma sheet. Nose structures are spectral features named after the characteristic shapes of energy bands or gaps in the energy-time spectrograms of in situ measured ion fluxes. Using 22 months of observations from the Helium Oxygen Proton Electron (HOPE) instrument onboard Van Allen Probe A, we determine the number of noses observed, and the minimum L-shell reached and energy of each nose on each pass through the inner magnetosphere. We find that multiple noses occur more frequentlymore » in heavy ions than in H +, and are most often observed during quiet times. The heavy-ion noses penetrate to lower L shells than H + noses and there is an energy-magnetic local time (MLT) dependence in the nose locations and energies that is similar for all species. The observations are interpreted using a steady-state model of ion drift in the inner magnetosphere. The model is able to explain the energy and MLT dependence of the different types of nose structures. Different ion charge exchange lifetimes are the main cause for the deeper penetration of heavy-ion noses. The species dependence and preferred geomagnetic conditions of multiple-nose events indicate that they must be on long drift paths, leading to strong charge-exchange effects. The results provide important insight into the spatial distribution, species dependence, and geomagnetic conditions under which nose structures occur.« less

Ion nose spectral structures observed by the Van Allen Probes

NASA Astrophysics Data System (ADS)

Ferradas, C. P.; Zhang, J.-C.; Spence, H. E.; Kistler, L. M.; Larsen, B. A.; Reeves, G.; Skoug, R.; Funsten, H.

2016-12-01

We present a statistical study of nose-like structures observed in energetic hydrogen, helium, and oxygen ions near the inner edge of the plasma sheet. Nose structures are spectral features named after the characteristic shapes of energy bands or gaps in the energy-time spectrograms of in situ measured ion fluxes. Using 22 months of observations from the Helium Oxygen Proton Electron instrument onboard Van Allen Probe A, we determine the number of noses observed, and the minimum L shell reached and energy of each nose on each pass through the inner magnetosphere. We find that multiple noses occur more frequently in heavy ions than in H+ and are most often observed during quiet times. The heavy-ion noses penetrate to lower L shells than H+ noses, and there is an energy-magnetic local time (MLT) dependence in the nose locations and energies that is similar for all species. The observations are interpreted by using a steady state model of ion drift in the inner magnetosphere. The model is able to explain the energy and MLT dependence of the different types of nose structures. Different ion charge-exchange lifetimes are the main cause for the deeper penetration of heavy-ion noses. The species dependence and preferred geomagnetic conditions of multiple-nose events indicate that they must be on long drift paths, leading to strong charge-exchange effects. The results provide important insight into the spatial distribution, species dependence, and geomagnetic conditions under which nose structures occur.

Brain Structure in Young and Old East Asians and Westerners: Comparisons of Structural Volume and Cortical Thickness

PubMed Central

Chee, Michael Wei Liang; Zheng, Hui; Goh, Joshua Oon Soo; Park, Denise; Sutton, Bradley P.

2012-01-01

There is an emergent literature suggesting that East Asians and Westerners differ in cognitive processes because of cultural biases to process information holistically (East Asians) or analytically (Westerners). To evaluate the possibility that such differences are accompanied by differences in brain structure, we conducted a large comparative study on cognitively matched young and old adults from two cultural/ethnic groups—Chinese Singaporeans and non-Asian Americans—that involved a total of 140 persons. Young predominantly White American adults were found to have higher cortical thickness in frontal, parietal, and medial-temporal polymodal association areas in both hemispheres. These findings were replicated using voxel-based morphometry applied to the same data set. Differences in cortical thickness observed between young volunteers were not significant in older subjects as a whole. However, group differences were evident when high-performing old were compared. Although the observed differences in gray matter may be rooted in strategic differences in cognition arising from ethnic/cultural differences, alternative explanations involving genetic heritage and environmental factors are also considered. PMID:20433238

Population Genetic Structure of Apple Scab (Venturia inaequalis (Cooke) G. Winter) in Iran

PubMed Central

Ebrahimi, Leila; Fotuhifar, Khalil-Berdi; Javan Nikkhah, Mohammad; Naghavi, Mohammad-Reza; Baisakh, Niranjan

2016-01-01

The population genetic structure of 278 Venturia inaequalis isolates, collected from different apple cultivars of eighteen different provinces in Iran, was investigated using 22 polymorphic microsatellite markers. Analysis of molecular variation, Bayesian clustering and Nei's genetic distance analyses based on 88 microsatellite alleles indicated substantial levels of gene flow among the collection sites. Ninety three percent of the variation was observed among the individuals within the populations and only 7% variation was observed among the populations. Structure analysis grouped the isolates into two populations. Maximum number of pathogen genotypes (44) was observed in the North of Iran that grows various different apple cultivars. Investigation on the variation of the pathogen on different cultivars in the North of Iran suggested a significant differentiation of the pathogen populations between wild apple and commercial cultivars. During sampling, varying ranges of scab infection were observed on various apple cultivars in forests, monoculture and mix orchards. Wild type apple (Malus orientalis) along the Caspian Sea Coast had the most infection in comparison with the Iranian endemic and commercial cultivars. Based on the genetic analysis and host tracking scenario of the pathogen, it was presumed that Iran could potentially be the center of origin of V. inaequalis, which requires further detailed studies with isolates collected from different parts of central Asia and world for confirmation. PMID:27631622

Effect of pH on the structure, function, and stability of human calcium/calmodulin-dependent protein kinase IV: combined spectroscopic and MD simulation studies.

PubMed

Naz, Huma; Shahbaaz, Mohd; Bisetty, Krishna; Islam, Asimul; Ahmad, Faizan; Hassan, Md Imtaiyaz

2016-06-01

Human calcium/calmodulin-dependent protein kinase IV (CAMKIV) is a member of Ser/Thr protein kinase family. It is regulated by the calcium-calmodulin dependent signal through a secondary messenger, Ca(2+), which leads to the activation of its autoinhibited form. The over-expression and mutation in CAMKIV as well as change in Ca(2+) concentration is often associated with numerous neurodegenerative diseases and cancers. We have successfully cloned, expressed, and purified a functionally active kinase domain of human CAMKIV. To observe the effect of different pH conditions on the structural and functional properties of CAMKIV, we have used spectroscopic techniques such as circular diachroism (CD) absorbance and fluorescence. We have observed that within the pH range 5.0-11.5, CAMKIV maintained both its secondary and tertiary structures, along with its function, whereas significant aggregation was observed at acidic pH (2.0-4.5). We have also performed ATPase activity assays under different pH conditions and found a significant correlation between the structure and enzymatic activities of CAMKIV. In-silico validations were further carried out by modeling the 3-dimensional structure of CAMKIV and then subjecting it to molecular dynamics (MD) simulations to understand its conformational behavior in explicit water conditions. A strong correlation between spectroscopic observations and the output of molecular dynamics simulation was observed for CAMKIV.

Quantitative comparison of structure and dynamics of elastin following three isolation schemes by 13C solid state NMR and MALDI mass spectrometry.

PubMed

Papaioannou, A; Louis, M; Dhital, B; Ho, H P; Chang, E J; Boutis, G S

2015-05-01

Methods for isolating elastin from fat, collagen, and muscle, commonly used in the design of artificial elastin based biomaterials, rely on exposing tissue to harsh pH levels and temperatures that usually denature many proteins. At present, a quantitative measurement of the modifications to elastin following isolation from other extracellular matrix constituents has not been reported. Using magic angle spinning (13)C NMR spectroscopy and relaxation methodologies, we have measured the modification in structure and dynamics following three known purification protocols. Our experimental data reveal that the (13)C spectra of the hydrated samples appear remarkably similar across the various purification methods. Subtle differences in the half maximum widths were observed in the backbone carbonyl suggesting possible structural heterogeneity across the different methods of purification. Additionally, small differences in the relative signal intensities were observed between purified samples. Lyophilizing the samples results in a reduction of backbone motion and reveals additional differences across the purification methods studied. These differences were most notable in the alanine motifs indicating possible changes in cross-linking or structural rigidity. The measured correlation times of glycine and proline moieties are observed to also vary considerably across the different purification methods, which may be related to peptide bond cleavage. Lastly, the relative concentration of desmosine cross-links in the samples quantified by MALDI mass spectrometry is reported. Copyright © 2015 Elsevier B.V. All rights reserved.

Crystal structure of a c-kit promoter quadruplex reveals the structural role of metal ions and water molecules in maintaining loop conformation.

PubMed

Wei, Dengguo; Parkinson, Gary N; Reszka, Anthony P; Neidle, Stephen

2012-05-01

We report here the 1.62 Å crystal structure of an intramolecular quadruplex DNA formed from a sequence in the promoter region of the c-kit gene. This is the first reported crystal structure of a promoter quadruplex and the first observation of localized magnesium ions in a quadruplex structure. The structure reveals that potassium and magnesium ions have an unexpected yet significant structural role in stabilizing particular quadruplex loops and grooves that is distinct from but in addition to the role of potassium ions in the ion channel at the centre of all quadruplex structures. The analysis also shows how ions cluster together with structured water molecules to stabilize the quadruplex arrangement. This particular quadruplex has been previously studied by NMR methods, and the present X-ray structure is in accord with the earlier topology assignment. However, as well as the observations of potassium and magnesium ions, the crystal structure has revealed a highly significant difference in the dimensions of the large cleft in the structure, which is a plausible target for small molecules. This difference can be understood by the stabilizing role of structured water networks.

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

Rashin, Alexander A., E-mail: alexander-rashin@hotmail.com; Iowa State University, 112 Office and Lab Bldg, Ames, IA 50011-3020; Domagalski, Marcin J.

Conformational differences between myoglobin structures are studied. Most structural differences in whale myoglobin beyond the uncertainty threshold can be correlated with a few specific structural factors. There are always exceptions and a search for additional factors is needed. The results might have serious implications for biological insights from conformational differences. Validation of general ideas about the origins of conformational differences in proteins is critical in order to arrive at meaningful functional insights. Here, principal component analysis (PCA) and distance difference matrices are used to validate some such ideas about the conformational differences between 291 myoglobin structures from sperm whale, horsemore » and pig. Almost all of the horse and pig structures form compact PCA clusters with only minor coordinate differences and outliers that are easily explained. The 222 whale structures form a few dense clusters with multiple outliers. A few whale outliers with a prominent distortion of the GH loop are very similar to the cluster of horse structures, which all have a similar GH-loop distortion apparently owing to intermolecular crystal lattice hydrogen bonds to the GH loop from residues near the distal histidine His64. The variations of the GH-loop coordinates in the whale structures are likely to be owing to the observed alternative intermolecular crystal lattice bond, with the change to the GH loop distorting bonds correlated with the binding of specific ‘unusual’ ligands. Such an alternative intermolecular bond is not observed in horse myoglobins, obliterating any correlation with the ligands. Intermolecular bonds do not usually cause significant coordinate differences and cannot be validated as their universal cause. Most of the native-like whale myoglobin structure outliers can be correlated with a few specific factors. However, these factors do not always lead to coordinate differences beyond the previously determined uncertainty thresholds. The binding of unusual ligands by myoglobin, leading to crystal-induced distortions, suggests that some of the conformational differences between the apo and holo structures might not be ‘functionally important’ but rather artifacts caused by the binding of ‘unusual’ substrate analogs. The causes of P6 symmetry in myoglobin crystals and the relationship between crystal and solution structures are also discussed.« less

Structural adaptation of the subunit interface of oligomeric thermophilic and hyperthermophilic enzymes.

PubMed

Maugini, Elisa; Tronelli, Daniele; Bossa, Francesco; Pascarella, Stefano

2009-04-01

Enzymes from thermophilic and, particularly, from hyperthermophilic organisms are surprisingly stable. Understanding of the molecular origin of protein thermostability and thermoactivity attracted the interest of many scientist both for the perspective comprehension of the principles of protein structure and for the possible biotechnological applications through application of protein engineering. Comparative studies at sequence and structure levels were aimed at detecting significant differences of structural parameters related to protein stability between thermophilic and hyperhermophilic structures and their mesophilic homologs. Comparative studies were useful in the identification of a few recurrent themes which the evolution utilized in different combinations in different protein families. These studies were mostly carried out at the monomer level. However, maintenance of a proper quaternary structure is an essential prerequisite for a functional macromolecule. At the environmental temperatures experienced typically by hyper- and thermophiles, the subunit interactions mediated by the interface must be sufficiently stable. Our analysis was therefore aimed at the identification of the molecular strategies adopted by evolution to enhance interface thermostability of oligomeric enzymes. The variation of several structural properties related to protein stability were tested at the subunit interfaces of thermophilic and hyperthermophilic oligomers. The differences of the interface structural features observed between the hyperthermophilic and thermophilic enzymes were compared with the differences of the same properties calculated from pairwise comparisons of oligomeric mesophilic proteins contained in a reference dataset. The significance of the observed differences of structural properties was measured by a t-test. Ion pairs and hydrogen bonds do not vary significantly while hydrophobic contact area increases specially in hyperthermophilic interfaces. Interface compactness also appears to increase in the hyperthermophilic proteins. Variations of amino acid composition at the interfaces reflects the variation of the interface properties.

Off- and Along-Axis Slow Spreading Ridge Segment Characters: Insights From 3d Thermal Modeling

NASA Astrophysics Data System (ADS)

Gac, S.; Tisseau, C.; Dyment, J.

2001-12-01

Many observations along the Mid-Atlantic Ridge segments suggest a correlation between surface characters (length, axial morphology) and the thermal state of the segment. Thibaud et al. (1998) classify segments according to their thermal state: "colder" segments shorter than 30 km show a weak magmatic activity, and "hotter" segments as long as 90 km show a robust magmatic activity. The existence of such a correlation suggests that the thermal structure of a slow spreading ridge segment explains most of the surface observations. Here we test the physical coherence of such an integrated thermal model and evaluate it quantitatively. The different kinds of segment would constitute different phases in a segment evolution, the segment evolving progressively from a "colder" to a "hotter" so to a "colder" state. Here we test the consistency of such an evolution scheme. To test these hypotheses we have developed a 3D numerical model for the thermal structure and evolution of a slow spreading ridge segment. The thermal structure is controlled by the geometry and the dimensions of a permanently hot zone, imposed beneath the segment center, where is simulated the adiabatic ascent of magmatic material. To compare the model with the observations several geophysic quantities which depend on the thermal state are simulated: crustal thickness variations along axis, gravity anomalies (reflecting density variations) and earthquake maximum depth (corresponding to the 750° C isotherm depth). The thermal structure of a particular segment is constrained by comparing the simulated quantities to the real ones. Considering realistic magnetization parameters, the magnetic anomalies generated from the same thermal structure and evolution reproduce the observed magnetic anomaly amplitude variations along the segment. The thermal structures accounting for observations are determined for each kind of segment (from "colder" to "hotter"). The evolution of the thermal structure from the "colder" to the "hotter" segments gives credence to a temporal relationship between the different kinds of segment. The resulting thermal evolution model of slow spreading ridge segments may explain the rhomboedric shapes observed off-axis.

Surface and electronic structure of Bi-Ca-Sr-Cu-O superconductors studied by LEED, UPS and XPS

NASA Astrophysics Data System (ADS)

Shen, Z.-X.; Lindberg, P. A. P.; Wells, B. O.; Lindau, I.; Spicer, W. E.; Mitzi, D. B.; Eom, C. B.; Kapitulnik, A.; Geballe, T. H.; Soukiassian, P.

1989-02-01

Single crystal and polycrystalline samples of Bi2CaSr2Cu2O8 have been studied by various surface sensitive techniques, including low energy electron diffraction (LEED), ultraviolet photoemission spectroscopy (UPS) and x-ray photoemission spectroscopy (XPS). The surface structure of the single crystals was characterized by LEED to be consistent with that of the bulk structure. Our data suggest that Bi2CaSr2Cu2O8 single crystals are very stable in the ultrahigh vacuu. No change of XPS spectra with temperature was observed. We have also studied the electronic structure of Bi2Sr2CuO6, which has a lower superconducting transition temperature Tc. Comparing the electronic structure of the two Bi-Ca-Sr-Cu-O superconductors, an important difference in the density of states near EF was observed which seems to be related to the difference in Tc.

Can genetics help psychometrics? Improving dimensionality assessment through genetic factor modeling.

PubMed

Franić, Sanja; Dolan, Conor V; Borsboom, Denny; Hudziak, James J; van Beijsterveldt, Catherina E M; Boomsma, Dorret I

2013-09-01

In the present article, we discuss the role that quantitative genetic methodology may play in assessing and understanding the dimensionality of psychological (psychometric) instruments. Specifically, we study the relationship between the observed covariance structures, on the one hand, and the underlying genetic and environmental influences giving rise to such structures, on the other. We note that this relationship may be such that it hampers obtaining a clear estimate of dimensionality using standard tools for dimensionality assessment alone. One situation in which dimensionality assessment may be impeded is that in which genetic and environmental influences, of which the observed covariance structure is a function, differ from each other in structure and dimensionality. We demonstrate that in such situations settling dimensionality issues may be problematic, and propose using quantitative genetic modeling to uncover the (possibly different) dimensionalities of the underlying genetic and environmental structures. We illustrate using simulations and an empirical example on childhood internalizing problems.

Dynamical origins of the community structure of an online multi-layer society

NASA Astrophysics Data System (ADS)

Klimek, Peter; Diakonova, Marina; Eguíluz, Víctor M.; San Miguel, Maxi; Thurner, Stefan

2016-08-01

Social structures emerge as a result of individuals managing a variety of different social relationships. Societies can be represented as highly structured dynamic multiplex networks. Here we study the dynamical origins of the specific community structures of a large-scale social multiplex network of a human society that interacts in a virtual world of a massive multiplayer online game. There we find substantial differences in the community structures of different social actions, represented by the various layers in the multiplex network. Community sizes distributions are either fat-tailed or appear to be centered around a size of 50 individuals. To understand these observations we propose a voter model that is built around the principle of triadic closure. It explicitly models the co-evolution of node- and link-dynamics across different layers of the multiplex network. Depending on link and node fluctuation probabilities, the model exhibits an anomalous shattered fragmentation transition, where one layer fragments from one large component into many small components. The observed community size distributions are in good agreement with the predicted fragmentation in the model. This suggests that several detailed features of the fragmentation in societies can be traced back to the triadic closure processes.

Structural studies of Pseudomonas and Chromobacterium ω-aminotransferases provide insights into their differing substrate specificity

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

Sayer, Christopher; Isupov, Michail N.; Westlake, Aaron

2013-04-01

The X-ray structures of two ω-aminotransferases from P. aeruginosa and C. violaceum in complex with an inhibitor offer the first detailed insight into the structural basis of the substrate specificity of these industrially important enzymes. The crystal structures and inhibitor complexes of two industrially important ω-aminotransferase enzymes from Pseudomonas aeruginosa and Chromobacterium violaceum have been determined in order to understand the differences in their substrate specificity. The two enzymes share 30% sequence identity and use the same amino acceptor, pyruvate; however, the Pseudomonas enzyme shows activity towards the amino donor β-alanine, whilst the Chromobacterium enzyme does not. Both enzymes showmore » activity towards S-α-methylbenzylamine (MBA), with the Chromobacterium enzyme having a broader substrate range. The crystal structure of the P. aeruginosa enzyme has been solved in the holo form and with the inhibitor gabaculine bound. The C. violaceum enzyme has been solved in the apo and holo forms and with gabaculine bound. The structures of the holo forms of both enzymes are quite similar. There is little conformational difference observed between the inhibitor complex and the holoenzyme for the P. aeruginosa aminotransferase. In comparison, the crystal structure of the C. violaceum gabaculine complex shows significant structural rearrangements from the structures of both the apo and holo forms of the enzyme. It appears that the different rigidity of the protein scaffold contributes to the substrate specificity observed for the two ω-aminotransferases.« less

Assimilating uncertain, dynamic and intermittent streamflow observations in hydrological models

NASA Astrophysics Data System (ADS)

Mazzoleni, Maurizio; Alfonso, Leonardo; Chacon-Hurtado, Juan; Solomatine, Dimitri

2015-09-01

Catastrophic floods cause significant socio-economical losses. Non-structural measures, such as real-time flood forecasting, can potentially reduce flood risk. To this end, data assimilation methods have been used to improve flood forecasts by integrating static ground observations, and in some cases also remote sensing observations, within water models. Current hydrologic and hydraulic research works consider assimilation of observations coming from traditional, static sensors. At the same time, low-cost, mobile sensors and mobile communication devices are becoming also increasingly available. The main goal and innovation of this study is to demonstrate the usefulness of assimilating uncertain streamflow observations that are dynamic in space and intermittent in time in the context of two different semi-distributed hydrological model structures. The developed method is applied to the Brue basin, where the dynamic observations are imitated by the synthetic observations of discharge. The results of this study show how model structures and sensors locations affect in different ways the assimilation of streamflow observations. In addition, it proves how assimilation of such uncertain observations from dynamic sensors can provide model improvements similar to those of streamflow observations coming from a non-optimal network of static physical sensors. This can be a potential application of recent efforts to build citizen observatories of water, which can make the citizens an active part in information capturing, evaluation and communication, helping simultaneously to improvement of model-based flood forecasting.

Coaligned observations of solar magnetic fields at different heights: MSFC Center director's discretionary fund final report (Project No. 88-10)

NASA Technical Reports Server (NTRS)

Hagyard, M. J.; West, E. A.; Gary, G. A.; Smith, J. E.

1990-01-01

The objective was to develop the capability for and coaligned observations of the structure and evolution of the Sun's magnetic field at two different heights in the solar atmosphere: the photosphere, which is the lowest region observable with optical telescopes; and the chromosphere, which lies just above the photosphere and is the region where the magnetic field dominates the gas motion so that a well-ordered structure governed by the field is observed. By obtaining this three-dimensional picture of the solar magnetic field, a better understanding can be developed of the magnetic forces that produce and control the dynamic, high-energy phenomena occurring in the solar atmosphere that can affect the entire heliosphere, including the terrestrial environment.

Atomically resolved structure of ligand-protected Au{sub 9} clusters on TiO{sub 2} nanosheets using aberration-corrected STEM

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

Al Qahtani, Hassan S.; Andersson, Gunther G., E-mail: gunther.andersson@flinders.edu.au, E-mail: nakayama.tomonobu@nims.go.jp; Kimoto, Koji

2016-03-21

Triphenylphosphine ligand-protected Au{sub 9} clusters deposited onto titania nanosheets show three different atomic configurations as observed by scanning transmission electron microscopy. The configurations observed are a 3-dimensional structure, corresponding to the previously proposed Au{sub 9} core of the clusters, and two pseudo-2-dimensional (pseudo-2D) structures, newly found by this work. With the help of density functional theory (DFT) calculations, the observed pseudo-2D structures are attributed to the low energy, de-ligated structures formed through interaction with the substrate. The combination of scanning transmission electron microscopy with DFT calculations thus allows identifying whether or not the deposited Au{sub 9} clusters have been de-ligatedmore » in the deposition process.« less

Epitaxially Grown Films of Standing and Lying Pentacene Molecules on Cu(110) Surfaces

PubMed Central

2011-01-01

Here, it is shown that pentacene thin films (30 nm) with distinctively different crystallographic structures and molecular orientations can be grown under essentially identical growth conditions in UHV on clean Cu(110) surfaces. By X-ray diffraction, we show that the epitaxially oriented pentacene films crystallize either in the “thin film” phase with standing molecules or in the “single crystal” structure with molecules lying with their long axes parallel to the substrate. The morphology of the samples observed by atomic force microscopy shows an epitaxial alignment of pentacene crystallites, which corroborates the molecular orientation observed by X-ray diffraction pole figures. Low energy electron diffraction measurements reveal that these dissimilar growth behaviors are induced by subtle differences in the monolayer structures formed by slightly different preparation procedures. PMID:21479111

Characteristics of middle and upper tropospheric clouds as deduced from rawinsonde data

NASA Technical Reports Server (NTRS)

Starr, D. D. O.; Cox, S. K.

1982-01-01

The static environment of middle and upper tropospheric clouds is characterized. Computed relative humidity with respect to ice is used to diagnose the presence of cloud layer. The deduced seasonal mean cloud cover estimates based on this technique are shown to be reasonable. The cases are stratified by season and pressure thickness, and the dry static stability, vertical wind speed shear, and Richardson number are computed for three layers for each case. Mean values for each parameter are presented for each stratification and layer. The relative frequency of occurrence of various structures is presented for each stratification. The observed values of each parameter and the observed structure of each parameter are quite variable. Structures corresponding to any of a number of different conceptual models may be found. Moist adiabatic conditions are not commonly observed and the stratification based on thickness yields substantially different results for each group.

Drift paths of ions composing multiple-nose spectral structures near the inner edge of the plasma sheet

NASA Astrophysics Data System (ADS)

Ferradas, C. P.; Zhang, J.-C.; Spence, H. E.; Kistler, L. M.; Larsen, B. A.; Reeves, G.; Skoug, R.; Funsten, H.

2016-11-01

We present a case study of the H+, He+, and O+ multiple-nose structures observed by the Helium, Oxygen, Proton, and Electron instrument on board Van Allen Probe A over one complete orbit on 28 September 2013. Nose structures are observed near the inner edge of the plasma sheet and constitute the signatures of ion drift in the highly dynamic environment of the inner magnetosphere. We find that the multiple noses are intrinsically associated with variations in the solar wind. Backward ion drift path tracings show new details of the drift trajectories of these ions; i.e., multiple noses are formed by ions with a short drift time from the assumed source location to the inner region and whose trajectories (1) encircle the Earth different number of times or (2) encircle the Earth equal number of times but with different drift time, before reaching the observation site.

Strong cooperative effect of oppositely charged surfactant mixtures on their adsorption and packing at the air-water interface and interfacial water structure.

PubMed

Nguyen, Khoi T; Nguyen, Tuan D; Nguyen, Anh V

2014-06-24

Remarkable adsorption enhancement and packing of dilute mixtures of water-soluble oppositely-charged surfactants, sodium dodecyl sulfate (SDS) and dodecyl amine hydrochloride (DAH), at the air-water interface were observed by using sum frequency generation spectroscopy and tensiometry. The interfacial water structure was also observed to be significantly influenced by the SDS-DAH mixtures, differently from the synergy of the single surfactants. Most strikingly, the obtained spectroscopic evidence suggests that the interfacial hydrophobic alkyl chains of the binary mixtures assemble differently from those of single surfactants. This study highlights the significance of the cooperative interaction between the headgroups of oppositely charged binary surfactant systems and subsequently provides some insightful observations about the molecular structure of the air-aqueous interfacial water molecules and, more importantly, about the packing nature of the surfactant hydrophobic chains of dilute SDS-DAH mixtures of concentration below 1% of the CMC.

Interaction of depth probes and style of depiction

PubMed Central

van Doorn, Andrea J.; Koenderink, Jan J.; Leyssen, Mieke H. R.; Wagemans, Johan

2012-01-01

We study the effect of stylistic differences on the nature of pictorial spaces as they appear to an observer when looking into a picture. Four pictures chosen from diverse styles of depiction were studied by 2 different methods. Each method addresses pictorial depth but draws on a different bouquet of depth cues. We find that the depth structures are very similar for 8 observers, apart from an idiosyncratic depth scaling (up to a factor of 3). The differences between observers generalize over (very different) pictures and (very different) methods. They are apparently characteristic of the person. The differences between depths as sampled by the 2 methods depend upon the style of the picture. This is the case for all observers except one. PMID:23145306

Sodium Peroxide Dihydrate or Sodium Superoxide: The Importance of the Cell Configuration for Sodium-Oxygen Batteries

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

Bi, Xuanxuan; Wang, Rongyue; Ma, Lu

In sodium–oxygen (Na–O2) batteries, multiple discharge products have been observed by different research groups. Given the fact that different materials, gas supplies, and cell configurations are used by different groups, it is a great challenge to draw a clear conclusion on the formation of the different products. Here, two different cell setups are used to investigate the cell chemistries of Na–O2 batteries. With the same materials and gas supplies, a peroxide-based product is observed in a glass chamber cell and a superoxide-based product is observed in a stainless-steel cell. Ex situ high-energy X-ray diffraction (HEXRD) and Raman spectroscopy are performedmore » to investigate the structure and composition of the product. In addition, in situ XRD is used to investigate the structure evolution of the peroxide-based product. The findings highlight the importance of the cell design and emphasize the critical environment of the formation of the discharge products of Na–O2 batteries.« less

Fine Structure in Quasar Flows Revealed by Lens-Aided Multi-Angle Spectroscopy (LAMAS)

NASA Astrophysics Data System (ADS)

Green, Paul J.

2006-09-01

Spectral differences between lensed quasar image components are common. Since lensing is intrinsically achromatic, these differences are typically explained as the effect of either microlensing, or as light path time delays sampling intrinsic quasar spectral variability. In some cases, neither explanation seems sufficient. Here we advance a novel third hypothesis: some spectral differences are due to small line-of- sight differences through quasar disk wind outflows, taking the widest separation lens SDSSJ1004+4112 as a key example. We show that small changes in sightline may traverse streams with significantly differing columns. The implications are many. Fine structure in these outflows may change the observed spectra on arcsec scales. Though difficult to detect observationally, high ionization, high velocity-width streams may sculpt the optical and X-ray spectra of most quasars. We discuss existing multi-epoch optical/UV spectroscopy and results from X-ray observations both by Chandra and XMM in this context, and sketch further possible tests. The author gratefully acknowledges support through NASA contract NAS8-03060 (CXC).

Oxygen vacancy induced structural evolution of SrFeO3 -x epitaxial thin film from brownmillerite to perovskite

NASA Astrophysics Data System (ADS)

Roh, Seulki; Lee, Seokbae; Lee, Myounghoon; Seo, Yu-Seong; Khare, Amit; Yoo, Taesup; Woo, Sungmin; Choi, Woo Seok; Hwang, Jungseek; Glamazda, A.; Choi, K.-Y.

2018-02-01

We investigated SrFeO3 -x thin films on a SrTiO3 (001) substrate prepared via pulsed laser epitaxy using an optical spectroscopy technique. The oxygen vacancy level (x ) was controlled by post-annealing processes at different oxygen partial pressures. We achieved a brownmillerite (BM) structure at x =0.5 and observed the evolution of the crystal structure from BM into perovskite (PV) as the oxygen concentration increased. We observed the evolution of infrared-active phonons with respect to the oxygen concentration, which was closely related to the structural evolution observed via x-ray diffraction. We identified the phonons using the shell-model calculation. Furthermore, we studied temperature-dependent behaviors of the phonon modes of three representative samples: PV and two BMs (BMoop and BMip) with different orientations of the oxygen vacancy channel. In the BMoop sample, we observed a phonon mode, which exhibited an unusual redshift with decreasing temperature; this behavior may have been due to the apical oxygen instability in the FeO6 octahedron. Our results provide important information regarding the ionic conduction mechanism in SrFeO3 -x material systems.

Analysis of morphological and molecular composition changes in allergenic Artemisia vulgaris L. pollen under traffic pollution using SEM and FTIR spectroscopy.

PubMed

Depciuch, J; Kasprzyk, I; Roga, E; Parlinska-Wojtan, M

2016-11-01

Nowadays, pollen allergy becomes an increasing problem for human population. Common mugwort (Artemisia vulgaris L.) is one of the major allergenic plants in Europe. In this study, the influence of air pollution caused by traffic on the structure and chemical composition of common mugwort pollen was investigated. Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and curve-fitting analysis of amide I profile was applied to assess the morphological and structural changes of mugwort pollen grains collected from sites with different vehicle pollution levels. Microscopic observations support the conclusion, that the higher the car traffic, the smaller the pollen grains. The obtained results clearly show that air pollution had an impact on different maximum absorbance values of individual functional groups composing the chemical structure of pollen. Moreover, air pollution induced structural changes in macromolecules of mugwort pollen. In pollen collected from the unpolluted site, the content of sporopollenin (850 cm -1 ) was the highest, whereas polysaccharide concentration (1032 cm -1 ) was the lowest. Significant differences were observed in lipids. Pollen collected from the site with heavy traffic had the lowest content of lipids at 1709, 2071, and 2930 cm -1 . The largest differences were observed in the spectra regions corresponding to proteins. In pollen collected from unpolluted site, the highest level of β-sheet (1600 cm -1 ) and α-helix (1650 cm -1 ) was detected. The structural changes in proteins, observed in the second derivative of the FTIR spectrum and in the curve-fitting analysis of amide I profile, could be caused inter alia by air pollutants. Alterations in protein structure and in their content in the pollen may increase the sensitization and subsequent risk of allergy in predisposed people. The obtained results suggest that the changes in chemical composition of pollen may be a good indicator of air quality and that FTIR may be successfully applied in biomonitoring.

Multi-wavelength Observations and Modeling of Solar Flares: Magnetic Structures

NASA Astrophysics Data System (ADS)

Su, Y.

2017-12-01

We present a review of our recent investigations on multi-wavelength observations and magnetic field modeling of solar flares. High-resolution observations taken by NVST and BBSO/NST reveal unprecedented fine structures of the flaring regions. Observations by SDO, IRIS, and GOES provide the complementary information. The magnetic field models are constructed using either non-linear force free field extrapolations or flux rope insertion method. Our studies have shown that the flaring regions often consist of double or multiple flux ropes, which often exist at different heights. The fine flare ribbon structures may be due to the magnetic reconnection in the complex quasi separatrix layers. The magnetic field modeling of several large flares suggests that the so called hot-channel structure is corresponding to the erupting flux rope above the X-point in a magnetic configuration with Hyperbolic Flux Tube.

`Fingerprint' Fine Structure in the Solar Decametric Radio Spectrum Solar Physics

NASA Astrophysics Data System (ADS)

Zlotnik, E. Y.; Zaitsev, V. V.; Melnik, V. N.; Konovalenko, A. A.; Dorovskyy, V. V.

2015-07-01

We study a unique fine structure in the dynamic spectrum of the solar radio emission discovered by the UTR-2 radio telescope (Kharkiv, Ukraine) in the frequency band of 20 - 30 MHz. The structure was observed against the background of a broadband type IV radio burst and consisted of parallel drifting narrow bands of enhanced emission and absorption on the background emission. The observed structure differs from the widely known zebra pattern at meter and decimeter wavelengths by the opposite directions of the frequency drift within a single stripe at a given time. We show that the observed properties can be understood in the framework of the radiation mechanism by virtue of the double plasma resonance effect in a nonuniform coronal magnetic trap. We propose a source model providing the observed frequency drift of the stripes.

Syndrome specificity and mother-child interactions: Examining positive and negative parenting across contexts and time

PubMed Central

Blacher, Jan; Baker, Bruce L.; Kaladjian, Araksia

2012-01-01

This study examined the extent to which child syndromes and observation context related to mothers’ parenting behaviors. Longitudinal observations were conducted of parenting behavior across ages 3, 4, and 5 years during structured and unstructured activities. The 183 participants included mothers of children with autism spectrum disorders, cerebral palsy, Down syndrome, undifferentiated developmental delay, or typical cognitive development. Negative parenting behaviors were higher in structured activities and higher in mothers of children in all developmentally delayed groups. Positive parenting was higher in unstructured activities and especially high for mothers of children with Down syndrome. Despite differences found through direct observation of parenting children in different diagnostic groups, they are not as strong as syndrome-group differences found through more commonly used self-report questionnaires assessing domains like parenting stress. PMID:22829243

Seismic velocity and attenuation structures at the top 400 km of the inner core

NASA Astrophysics Data System (ADS)

Yu, W.; Wen, L.; Niu, F.

2002-12-01

Recent seismic studies reveal an ``east-west" hemispherical difference in seismic velocity and attenuation in the top of the inner core [Niu and Wen, 2001, Wen and Niu, 2002]. The PKiKP-PKIKP observations they used only allowed them to constrain the seismic structure in the top 80 km of the inner core. The question now arises as such to what depth this hemispherical difference persists. To answer this question, we combine the PKiKP-PKIKP dataset and the PKPbc-PKIKP observations at the distance range of 147o-160o to study seismic velocity and attenuation structures in the top 400 km of the inner core along the ``equatorial paths" (the paths whose ray angles > 35o from the polar direction). We select PKPbc-PKIKP waveforms from recordings in the Global Seismic Network (GSN) and several dense regional seismic arrays. We choose recordings for events from 1990 to 2000 with simple source time functions, so only those of intermediate and deep earthquakes are used. The observed PKPbc-PKIKP differential travel times and PKIKP/PKPbc amplitude ratios exhibit an ``east-west" hemispherical difference. The PKPbc-PKIKP travel time residuals are about 0.7 second larger for those sampling the ``eastern" hemisphere than those sampling the ``western" hemisphere. The PKIKP/PKPbc amplitude ratios are generally smaller for those sampling the ``eastern" hemisphere. We construct two seismic velocity and attenuation models, with one for each ``hemisphere", by iteratively modeling the observed PKiKP-PKIKP waveforms, the PKPbc-PKIKP differential travel times and the PKIKP/PKPbc amplitude ratios. For the ``eastern" hemisphere, the observations indicate that the E1 velocity gradient and Q structure, inferred from the PKiKP-PKIKP observations sampling the top 80 km of the inner core, extend at least to 230 km inside the inner core. A change of velocity gradient and Q value is required in the deeper portion of the inner core. For the ``western" hemisphere, on the other hand, W2 velocity gradient and Q structure, obtained from modeling the PKiKP-PKIKP observations, explain the PKPbc-PKIKP observations well.

Understanding the Latitude Structure of Nitric Oxide in the Mesosphere and Lower Thermosphere

NASA Technical Reports Server (NTRS)

Fuller-Rowell, T.J.

1997-01-01

The goal of the proposed work was to understand the latitude structure of nitric oxide in the mesosphere and lower thermosphere. The problem was portrayed by a clear difference between predictions of the nitric oxide distribution from chemical/dynamical models and data from observations made by the Solar Mesosphere Explorer (SMEE) in the early to mid eighties. The data exhibits a flat latitude structure of NO, the models tend to produce at equatorial maximum. The first task was to use the UARS-HALOE data to confirm the SME observations. The purpose of this first phase was to verify the UARS-NO structure is consistent with the SME data. The next task was to determine the cause of the discrepancy between modeled and observed nitric oxide latitude structure. The result from the final phase indicated that the latitude structure in the Photo-Electron (PE) production rate was the most important.

The effects of Bi4Ti3O12 interfacial ferroelectric layer on the dielectric properties of Au/n-Si structures

NASA Astrophysics Data System (ADS)

Gökçen, Muharrem; Yıldırım, Mert

2015-06-01

Au/n-Si metal-semiconductor (MS) and Au/Bi4Ti3O12/n-Si metal-ferroelectric-semiconductor (MFS) structures were fabricated and admittance measurements were held between 5 kHz and 1 MHz at room temperature so that dielectric properties of these structures could be investigated. The ferroelectric interfacial layer Bi4Ti3O12 decreased the polarization voltage by providing permanent dipoles at metal/semiconductor interface. Depending on different mechanisms, dispersion behavior was observed in dielectric constant, dielectric loss and loss tangent versus bias voltage plots of both MS and MFS structures. The real and imaginary parts of complex modulus of MFS structure take smaller values than those of MS structure, because permanent dipoles in ferroelectric layer cause a large spontaneous polarization mechanism. While the dispersion in AC conductivity versus frequency plots of MS structure was observed at high frequencies, for MFS structure it was observed at lower frequencies.

A Change in Seasons: Increasing Student Observation Skills

ERIC Educational Resources Information Center

Sterling, Donna R.

2006-01-01

Using the seasons in the science classroom increases student observation skills as they focus on subtle differences such as shades of color and differences in structures. In this article, the author presents a variety of activities that can help students identify and demonstrate patterns and changes in leaf or plant development. The ability to…

Layered graphene-mica substrates induce melting of DNA origami

NASA Astrophysics Data System (ADS)

Green, Nathaniel S.; Pham, Phi H. Q.; Crow, Daniel T.; Burke, Peter J.; Norton, Michael L.

2018-04-01

Monolayer graphene supported on mica substrates induce melting of cross-shaped DNA origami. This behavior can be contrasted with the case of origami on graphene on graphite, where an expansion or partially re-organized structure is observed. On mica, only well-formed structures are observed. Comparison of the morphological differences observed for these probes after adsorption on these substrates provides insights into the sensitivity of DNA based nanostructures to the properties of the graphene monolayer, as modified by its substrate.

Earthworms and tree roots: A model study of the effect of preferential flow paths on runoff generation and groundwater recharge in steep, saprolitic, tropical lowland catchments

NASA Astrophysics Data System (ADS)

Cheng, Yanyan; Ogden, Fred L.; Zhu, Jianting

2017-07-01

Preferential flow paths (PFPs) affect the hydrological response of humid tropical catchments but have not received sufficient attention. We consider PFPs created by tree roots and earthworms in a near-surface soil layer in steep, humid, tropical lowland catchments and hypothesize that observed hydrological behaviors can be better captured by reasonably considering PFPs in this layer. We test this hypothesis by evaluating the performance of four different physically based distributed model structures without and with PFPs in different configurations. Model structures are tested both quantitatively and qualitatively using hydrological, geophysical, and geochemical data both from the Smithsonian Tropical Research Institute Agua Salud Project experimental catchment(s) in Central Panama and other sources in the literature. The performance of different model structures is evaluated using runoff Volume Error and three Nash-Sutcliffe efficiency measures against observed total runoff, stormflows, and base flows along with visual comparison of simulated and observed hydrographs. Two of the four proposed model structures which include both lateral and vertical PFPs are plausible, but the one with explicit simulation of PFPs performs the best. A small number of vertical PFPs that fully extend below the root zone allow the model to reasonably simulate deep groundwater recharge, which plays a crucial role in base flow generation. Results also show that the shallow lateral PFPs are the main contributor to the observed high flow characteristics. Their number and size distribution are found to be more important than the depth distribution. Our model results are corroborated by geochemical and geophysical observations.

Numerical investigation of separated nozzle flows

NASA Technical Reports Server (NTRS)

Chen, C. L.; Chakravarthy, S. R.; Hung, C. M.

1994-01-01

A numerical study of axisymmetric overexpanded nozzle is presented. The flow structure of the startup and throttle-down processes are examined. During the impulsive startup process, observed flow features include the Mach disk, separation shock, Mach stem, vortex core, contact surface, slip stream, initial shock front, and shocklet. Also the movement of the Mach disk is not monotonical in the downstream direction. For a range of pressure ratios, hysteresis phenomenon occurs; different solutions were obtained depending on different processes. Three types of flow structures were observed. The location of separation point and the lower end turning point of hysteresis are closely predicted. A high peak of pressure is associated with the nozzle flow reattachment. The reversed vortical structure and affects engine performance.

Resolving structural uncertainty in natural resources management using POMDP approaches

USGS Publications Warehouse

Williams, B.K.

2011-01-01

In recent years there has been a growing focus on the uncertainties of natural resources management, and the importance of accounting for uncertainty in assessing management effectiveness. This paper focuses on uncertainty in resource management in terms of discrete-state Markov decision processes (MDP) under structural uncertainty and partial observability. It describes the treatment of structural uncertainty with approaches developed for partially observable resource systems. In particular, I show how value iteration for partially observable MDPs (POMDP) can be extended to structurally uncertain MDPs. A key difference between these process classes is that structurally uncertain MDPs require the tracking of system state as well as a probability structure for the structure uncertainty, whereas with POMDPs require only a probability structure for the observation uncertainty. The added complexity of the optimization problem under structural uncertainty is compensated by reduced dimensionality in the search for optimal strategy. A solution algorithm for structurally uncertain processes is outlined for a simple example in conservation biology. By building on the conceptual framework developed for POMDPs, natural resource analysts and decision makers who confront structural uncertainties in natural resources can take advantage of the rapid growth in POMDP methods and approaches, and thereby produce better conservation strategies over a larger class of resource problems. ?? 2011.

Meso-Mechanics and Meso-Structures: A Matter of Scale

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Gotsis, P. K.; Mital, S. K.

1998-01-01

Meso-mechanics and meso-structures are described in terms of the scales at which they are observed and formulated. Select composite examples are presented to illustrate that meso-mechanics and/or meso-structures are meaningful only when they refer to a specific scale in a hierarchical scale observation/simulation. These examples include different types of composite unit cells, woven fabric unit cells, and progressive fracture as a composite enhanced infrastructure made from reinforced concrete. The results from the select examples indicate that meso-mechanics and meso-structures are elusive terms and depend mainly on the investigators' knowledge and available information.

Effect of precursors condition on the structural morphology of synthesized GaN

NASA Astrophysics Data System (ADS)

Muzammil, P.; Basha, S. Munawar; Muhammad, G. Shakil

2018-05-01

GaN nanostructures were synthesized using different mole concentration of precursor composing of gallium nitrate and PVP by sol-gel method. The structural analysis using X-ray diffraction shows the wurtzite form of GaN nanostructure, also it observed that the concentration of precursor play a vital role in structural quality as FWHM increase for higher concentration. From the SEM image it observed that for 0.25 and 0.5 M concentration the honey bee and nanorod structure were obtained. The micro-Raman analysis shows a strong E2H peak of GaN nanostructure.

Covalent addition of chitosan to graphene sheets: Density functional theory explorations of quadrupole coupling constants

NASA Astrophysics Data System (ADS)

Mokhtari, Ali; Harismah, Kun; Mirzaei, Mahmoud

2015-12-01

Density functional theory (DFT) calculations have been performed to detect the stabilities and properties of chitosan-functionalized graphene and graphene-oxide structures (G-Chit and GO-Chit). The model systems with two different sizes of sheets have been optimized and the molecular and atomic properties have been evaluated for them. The results indicated that investigated G-Chit and GO-Chit structures could be considered as stable structures but with different properties. The properties for GO and GO-Chit structures are almost similar; however, they are different from the original G and G-Chit structures. The results also indicated that the properties could be also size-dependent, in which different molecular and atomic properties have been observed for the investigate G sheets.

Experimental and simulation study of growth of TiO2 films on different substrates and its applications

NASA Astrophysics Data System (ADS)

Ghogare, Trupti T.; Kartha, Moses J.; Kendre, Subhash D.; Pathan, Habib M.

2018-04-01

Monte-Carlo Ballistic Deposition simulations have done on substrates with different initial roughness. The grown films were observed to be porous. The initial growths of the films with seed like initiations are observed for substrate with high initial roughness. In order to confirm this effect TiO2 films were deposited on different substrates using chemical bath deposition. The surface morphological and optical properties were measured using scanning electron microscopy and a UV-Vis spectrophotometer. Flower like porous structure are obtained on glass substrate and continuous porous morphology is formed on ITO substrate. The morphology of the surfaces was successfully reconstructed and the surface porosity was calculated after digitalising images and reconstructed the surfaces. The TiO2 film formed on ITO is observed to be 10% more porous than on the film formed on glass substrate. Diffusion Limited Aggregation simulations with multiple seeds confirms that the observed flower like structure formed are due to the screening effects of the diffusing ion by already deposited particles.

Investigation of the nanodomain structure formation by piezoelectric force microscopy and Raman confocal microscopy in LiNbO3 and LiTaO3 crystals

NASA Astrophysics Data System (ADS)

Shur, V. Ya.; Zelenovskiy, P. S.; Nebogatikov, M. S.; Alikin, D. O.; Sarmanova, M. F.; Ievlev, A. V.; Mingaliev, E. A.; Kuznetsov, D. K.

2011-09-01

Piezoelectric force microscopy (PFM) and Raman confocal microscopy have been used for studying the nanodomain structures in congruent LiNbO3 and LiTaO3 crystals. The high-resolution nanodomain images at the surface were observed via PFM. Raman confocal microscopy has been used for the visualization of the nanodomain structures in the bulk via layer-by-layer scanning at various depths. It has been shown experimentally that the nanodomain images obtained at different depths correspond to domain images at the polar surface obtained at different moments: the deeper the nanodomain, the earlier the moment. Such a correlation was applied for the reconstruction of the evolution of the domain structures with charged domain walls. The studied domain structures were obtained in highly non-equilibrium switching conditions realized in LiNbO3 and LiTaO3 via pulse laser irradiation and the electric field poling of LiNbO3, with the surface layer modified by ion implantation. The revealed main stages of the domain structure evolution allow the authors to demonstrate that all geometrically different nanodomain structures observed in LiNbO3 and LiTaO3 appeared as a result of discrete switching.

Impact of Inflow Conditions on Coherent Structures in an Aneurysm

NASA Astrophysics Data System (ADS)

Yu, Paulo; Durgesh, Vibhav; Johari, Hamid

2017-11-01

An aneurysm is an enlargement of a weakened arterial wall that can be debilitating or fatal on rupture. Studies have shown that hemodynamics is integral to developing an understanding of aneurysm formation, growth, and rupture. This investigation focuses on a comprehensive study of the impact of varying inflow conditions and aneurysm shapes on spatial and temporal behavior of flow parameters and structures in an aneurysm. Two different shapes of an idealized rigid aneurysm model were studied and the non-dimensional frequency and Reynolds number were varied between 2-5 and 50-250, respectively. A ViVitro Labs SuperPump system was used to precisely control inflow conditions. Particle Image Velocimetry (PIV) measurements were performed at three different locations inside the aneurysm sac to obtain detailed velocity flow field information. The results of this study showed that aneurysm morphology significantly impacts spatial and temporal behavior of large-scale flow structures as well as wall shear stress distribution. The flow behavior and structures showed a significant difference with change in inflow conditions. A primary fluctuating flow structure was observed for Reynolds number of 50, while for higher Reynolds numbers, primary and secondary flow structures were observed. Furthermore, the paths of these coherent structures were dependent on aneurysm shape and inflow parameters.

Self-assessment differences between genders in a low-stakes objective structured clinical examination (OSCE).

PubMed

Madrazo, Lorenzo; Lee, Claire B; McConnell, Meghan; Khamisa, Karima

2018-06-15

Physicians and medical students are generally poor-self assessors. Research suggests that this inaccuracy in self-assessment differs by gender among medical students whereby females underestimate their performance compared to their male counterparts. However, whether this gender difference in self-assessment is observable in low-stakes scenarios remains unclear. Our study's objective was to determine whether self-assessment differed between male and female medical students when compared to peer-assessment in a low-stakes objective structured clinical examination. Thirty-three (15 males, 18 females) third-year students participated in a 5-station mock objective structured clinical examination. Trained fourth-year student examiners scored their performance on a 6-point Likert-type global rating scale. Examinees also scored themselves using the same scale. To examine gender differences in medical students' self-assessment abilities, mean self-assessment global rating scores were compared with peer-assessment global rating scores using an independent samples t test. Overall, female students' self-assessment scores were significantly lower compared to peer-assessment (p < 0.001), whereas no significant difference was found between self- and peer-assessment scores for male examinees (p = 0.228). This study provides further evidence that underestimation in self-assessment among females is observable even in a low-stakes formative objective structured clinical examination facilitated by fellow medical students.

Room temperature synthesis of Cu₂O nanospheres: optical properties and thermal behavior.

PubMed

Nunes, Daniela; Santos, Lídia; Duarte, Paulo; Pimentel, Ana; Pinto, Joana V; Barquinha, Pedro; Carvalho, Patrícia A; Fortunato, Elvira; Martins, Rodrigo

2015-02-01

The present work reports a simple and easy wet chemistry synthesis of cuprous oxide (Cu2O) nanospheres at room temperature without surfactants and using different precursors. Structural characterization was carried out by X-ray diffraction, transmission electron microscopy, and scanning electron microscopy coupled with focused ion beam and energy-dispersive X-ray spectroscopy. The optical band gaps were determined from diffuse reflectance spectroscopy. The photoluminescence behavior of the as-synthesized nanospheres showed significant differences depending on the precursors used. The Cu2O nanospheres were constituted by aggregates of nanocrystals, in which an on/off emission behavior of each individual nanocrystal was identified during transmission electron microscopy observations. The thermal behavior of the Cu2O nanospheres was investigated with in situ X-ray diffraction and differential scanning calorimetry experiments. Remarkable structural differences were observed for the nanospheres annealed in air, which turned into hollow spherical structures surrounded by outsized nanocrystals.

Liquid Structure of CO 2 –Reactive Aprotic Heterocyclic Anion Ionic Liquids from X-ray Scattering and Molecular Dynamics

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

Sheridan, Quintin R.; Oh, Seungmin; Morales-Collazo, Oscar

2016-11-23

A combination of X-ray scattering experiments and molecular dynamics simulations were conducted to investigate the structure of ionic liquids (ILs) which chemically bind CO 2. The structure functions were measured and computed for four different ILs consisting of two different phosphonium cations, triethyloctylphosphonium ([P 2228] +) and trihexyltetradecylphosphonium ([P 66614] +), paired with two different aprotic heterocyclic anions which chemically react with CO 2, 2-cyanopyrrolide, and 1,2,4-triazolide. Simulations were able to reproduce the experimental structure functions, and by deconstructing the simulated structure functions, further information on the liquid structure was obtained. All structure functions of the ILs studied had threemore » primary features which have been seen before in other ILs: a prepeak near 0.3–0.4 Å–1 corresponding to polar/nonpolar domain alternation, a charge alternation peak near 0.8 Å–1, and a peak near 1.5 Å–1 due to interactions of adjacent molecules. The liquid structure functions were only mildly sensitive to the specific anion and whether or not they were reacted with CO 2. Upon reacting with CO 2, small changes were observed in the structure functions of the [P 2228] + ILs, whereas virtually no change was observed upon reacting with CO 2 in the corresponding [P 66614] + ILs. When the [P 2228] + cation was replaced with the [P 66614] + cation, there was a significant increase in the intensities of the prepeak and adjacency interaction peak. While many of the liquid structure functions are similar, the actual liquid structures differ as demonstrated by computed spatial distribution functions.« less

Free Energy and Structure of Helix-forming Peptides: A Theoretical Investigation

NASA Astrophysics Data System (ADS)

Karpusenka, Vadzim

This thesis focuses on the structure and free energy of helical secondary structures of short peptides in a variety of experimental settings. Specifically, the formation of alpha-, pi- and 310-helices was investigated using large-scale classical molecular dynamics simulations with state-of-the-art force fields. In addition, the recently developed Adaptively Biased Molecular Dynamics (ABMD) and Steered Molecular Dynamics (SMD) methods were used to calculate the corresponding free energies. The most important results are as follows. For the examined peptide homopolymers, the observed minima on the free energy landscapes (based on suitable collective variables such as the radius of gyration, number of hydrogen bonds, and handedness) were associated with alpha-helices and "globular" or "knot-like" configurations only. No evidence was found to indicate that 310- or pi-helices represent equilibrium structures for these systems. In addition, the free energy landscape of short peptide chains formed by mixing two different amino acids were also examined. These results too indicate that the alpha-helix is only equilibrium helical secondary structure, and that the mixing of different amino acids does not result in the introduction of any significant new minima into the free energy landscapes. These results are in agreement with experimental observations insofar as these indicate that helical structural motifs are primary based on alpha-helices, with 310- and pi-helices being observed only rarely. Although pi- and 310-helices represent nonequilibrium structures, we were still able to estimate their free energies by means of SMD simulations. The helical secondary structure of the examined polypeptide chains is due to the formation of hydrogen bonds. However, there are other mechanisms that may allow for the additional stabilization of these structures. Specifically, in the so-called AK-(4,7) protein, the possible presence of disulfide bonds connecting cysteine residues may significantly alter the free energy landscapes and therefore the stability of different helical structures. We therefore examined this issue with ABMD simulations. However, our results show that while the free energy landscapes are indeed significantly altered only the formation of alpha-helices is favored as a secondary structural motif. Since all the results indicate that alpha-helix formation dominates, it is natural to think in terms of an alpha-helix forming propensity for different amino acids. To address this question, we carried out an extensive residue-by-residue population analysis of different amino acid guests in an alanine-based host setting. Such an analysis allows us to rank the different amino acid guests based on whether they increased or decreased the population in the alpha-helix region of the corresponding Ramachandran plots. Our ranking of the different guest amino acids is in reasonable correspondence with the experimental results, although some differences are observed. Finally, using a four-beads coarse-grained model were have investigated the stability of GA88 and GB88 proteins, which are quite similar in terms of their amino acid sequence, by means of 10mus simulations. The results indicate that while the three alpha-helix bundle of the GA88 protein remains stable, the 2beta--alpha--2beta configuration of the GB88 protein does not: the latter rapidly converts to a structure consisting mostly of helices similar to the GA88 protein design. These results indicate that this particular four-bead coarse-grained model is not able to properly grasp the dynamics of the beta-sheet secondary structure and overstabilizes the corresponding helical content.

Guanine base stacking in G-quadruplex nucleic acids

PubMed Central

Lech, Christopher Jacques; Heddi, Brahim; Phan, Anh Tuân

2013-01-01

G-quadruplexes constitute a class of nucleic acid structures defined by stacked guanine tetrads (or G-tetrads) with guanine bases from neighboring tetrads stacking with one another within the G-tetrad core. Individual G-quadruplexes can also stack with one another at their G-tetrad interface leading to higher-order structures as observed in telomeric repeat-containing DNA and RNA. In this study, we investigate how guanine base stacking influences the stability of G-quadruplexes and their stacked higher-order structures. A structural survey of the Protein Data Bank is conducted to characterize experimentally observed guanine base stacking geometries within the core of G-quadruplexes and at the interface between stacked G-quadruplex structures. We couple this survey with a systematic computational examination of stacked G-tetrad energy landscapes using quantum mechanical computations. Energy calculations of stacked G-tetrads reveal large energy differences of up to 12 kcal/mol between experimentally observed geometries at the interface of stacked G-quadruplexes. Energy landscapes are also computed using an AMBER molecular mechanics description of stacking energy and are shown to agree quite well with quantum mechanical calculated landscapes. Molecular dynamics simulations provide a structural explanation for the experimentally observed preference of parallel G-quadruplexes to stack in a 5′–5′ manner based on different accessible tetrad stacking modes at the stacking interfaces of 5′–5′ and 3′–3′ stacked G-quadruplexes. PMID:23268444

Drawing on the right side of the brain: a voxel-based morphometry analysis of observational drawing.

PubMed

Chamberlain, Rebecca; McManus, I Chris; Brunswick, Nicola; Rankin, Qona; Riley, Howard; Kanai, Ryota

2014-08-01

Structural brain differences in relation to expertise have been demonstrated in a number of domains including visual perception, spatial navigation, complex motor skills and musical ability. However no studies have assessed the structural differences associated with representational skills in visual art. As training artists are inclined to be a heterogeneous group in terms of their subject matter and chosen media, it was of interest to investigate whether there would be any consistent changes in neural structure in response to increasing representational drawing skill. In the current study a cohort of 44 graduate and post-graduate art students and non-art students completed drawing tasks. Scores on these tasks were then correlated with the regional grey and white matter volume in cortical and subcortical structures. An increase in grey matter density in the left anterior cerebellum and the right medial frontal gyrus was observed in relation to observational drawing ability, whereas artistic training (art students vs. non-art students) was correlated with increased grey matter density in the right precuneus. This suggests that observational drawing ability relates to changes in structures pertaining to fine motor control and procedural memory, and that artistic training in addition is associated with enhancement of structures pertaining to visual imagery. The findings corroborate the findings of small-scale fMRI studies and provide insights into the properties of the developing artistic brain. Copyright © 2014 Elsevier Inc. All rights reserved.

Structure of Saturn's Rings from Cassini Diametric Radio Occultations

NASA Astrophysics Data System (ADS)

Marouf, E.; French, R.; Rappaport, N.; Kliore, A.; Flasar, M.; Nagy, A.; McGhee, C.; Schinder, P.; Anabtawi, A.; Asmar, S.; Barbinis, E.; Fleischman, D.; Goltz, G.; Johnston, D.; Rochblatt, D.; Thomson, F.; Wong, K.

2005-08-01

Cassini orbits around Saturn were designed to provide eight optimized radio occultation observations of Saturn's rings during summer, 2005. Three monochromatic radio signals (0.94, 3.6, and 13 cm-wavelength) were transmitted by Cassini through the rings and observed at multiple stations of the NASA Deep Space Network. A rich data set has been collected. Detailed structure of Ring B is revealed for the first time, including multi-feature dense ''core'' ˜ 6,000 km wide of normal optical depth > 4.3, a ˜ 5,500 km region of oscillations in optical depth ( ˜ 1.7 to ˜ 3.4) over characteristic radial scales of few hundred kilometers interior to the core, and a ˜ 5,000 km region exterior to the core of similar nature but smaller optical depth fluctuation ( ˜ 2.2 to ˜ 3.3). The innermost ˜ 7,000 km region is the thinnest (mean optical depth ˜ 1.2), and includes two unusually uniform regions and a prominent density wave. With few exceptions, the structure is nearly identical for the three radio signals (when detectable), indicating that Ring B is relatively devoid of centimeters and smaller size particles. The structure is largely circularly symmetric, except for radius > ˜ 116,600 km. In Ring A, numerous (> 40) density waves are clearly observed at multiple longitudes, different average background optical depth is observed among different occultations suggesting that the azimuthal asymmetry extends over most Ring A, and strong dependence of the observed structure on wavelength implies increase in the abundance of centimeter and smaller size particles with increasing radius. Multiple longitude observations of Ring C and the Cassini Division structure reveal remarkable variability of gaps and their embedded narrow eccentric ringlets, and a wake/wave like feature interior to the gap at ˜ 118,200 km (embedded moonlet?). Wavelength dependent structure of Ring C implies abundance of centimeter size particles everywhere and sorting by size within dense embedded features.

Experimental verification of the rainbow trapping effect in adiabatic plasmonic gratings

PubMed Central

Gan, Qiaoqiang; Gao, Yongkang; Wagner, Kyle; Vezenov, Dmitri; Ding, Yujie J.; Bartoli, Filbert J.

2011-01-01

We report the experimental observation of a trapped rainbow in adiabatically graded metallic gratings, designed to validate theoretical predictions for this unique plasmonic structure. One-dimensional graded nanogratings were fabricated and their surface dispersion properties tailored by varying the grating groove depth, whose dimensions were confirmed by atomic force microscopy. Tunable plasmonic bandgaps were observed experimentally, and direct optical measurements on graded grating structures show that light of different wavelengths in the 500–700-nm region is “trapped” at different positions along the grating, consistent with computer simulations, thus verifying the “rainbow” trapping effect. PMID:21402936

Longitudinal Thin Structure of Equatorial Plasma Depletions Coincidently Observed by Swarm Constellation and all-Sky Imager

NASA Astrophysics Data System (ADS)

Xiong, Chao; Xu, Jiyao; Wu, Kun; Yuan, Wei

2018-02-01

The lower pair satellites of Swarm mission, flying side-by-side and separated by 1.4° in longitude (about 150 km), usually observed equatorial plasma depletions (EPDs) showing quite different structures, and sometime even only one satellite observed EPD. In this study, we provided 6-h continuous observations of EPDs on the night of 23-24 September 2014, from an all-sky imager located at Fuke (geographic:19.5°N,109.1°E), south of China. From the airglow images the EPDs were found with longitudinal extensions of about 50 km and all tilted from northwest to southeast direction. We further checked the in situ electron density simultaneously measured by the Swarm lower pair satellites and found the differences of Swarm in situ electron densities explained well by the longitudinally thin structure of EPDs observed from the all-sky imager. During later periods the bifurcation and merging were observed by the airglow images, and it was the first time to report both processes in the evolution of one EPD. The bifurcation was first observed at the higher-latitude part, and then observed at lower latitudes of EPD. The subbranches generated through bifurcation showed even thinner longitudinal extension of about 20-30 km, and later the subbranches started to merge with each other, forming a really complicated mesh of depleted regions.

Deterioration of concrete structures in coastal environment due to carbonation.

PubMed

Balaji, K V G D; Gopalaraju, S S S V; Trilochan, Jena

2010-07-01

Failure of existing concrete structures takes place due to lack of durability, and not due to less structural strength. One of the important aspects of durability is carbonation depth. The rate of carbonation in concrete is influenced by both its physical properties and exposure conditions. Rebar corrodes when carbonation reaches to a depth of concrete cover provided. In the present work, various concrete structures with different life periods and exposed to different weather conditions have been considered to study the carbonation effect. It is observed that the effect of carbonation is more in the structures located near to the sea coast and on windward face of the structure.

Evaporation and transpiration from forests in Central Europe - relevance of patch-level studies for spatial scaling

NASA Astrophysics Data System (ADS)

Köstner, B.

Spatial scaling from patch to the landscape level requires knowledge on the effects of vegetation structure on maximum surface conductances and evaporation rates. The following paper summarizes results on atmospheric, edaphic, and structural controls on forest evaporation and transpiration observed in stands of Norway spruce (Picea abies), Scots pine (Pinus sylvestris) and European beech (Fagus sylvatica). Forest canopy transpiration (Ec) was determined by tree sapflow measurements scaled to the stand level. Estimates of understory transpiration and forest floor evaporation were derived from lysimeter and chamber measurements. Strong reduction of Ec due to soil drought was only observed at a Scots pine stand when soil water content dropped below 16% v/v. Although relative responses of Ec on atmospheric conditions were similar, daily maximum rates of could differ more than 100% between forest patches of different structure (1.5-3.0mmd-1 and 2.6-6.4mmd-1 for spruce and beech, respectively). A significant decrease of Ecmax per leaf area index with increasing stand age was found for monocultures of Norway spruce, whereas no pronounced changes in were observed for beech stands. It is concluded that structural effects on Ecmax can be specified and must be considered for spatial scaling from forest stands to landscapes. Hereby, in conjunction with LAI, age-related structural parameters are important for Norway spruce stands. Although compensating effects of tree canopy layers and understory on total evaporation of forests were observed, more information is needed to quantify structure-function relationships in forests of heterogenous structure.

Atypical behavior in the electron capture induced dissociation of biologically relevant transition metal ion complexes of the peptide hormone oxytocin

NASA Astrophysics Data System (ADS)

Kleinnijenhuis, Anne J.; Mihalca, Romulus; Heeren, Ron M. A.; Heck, Albert J. R.

2006-07-01

Doubly protonated ions of the disulfide bond containing nonapeptide hormone oxytocin and oxytocin complexes with different transition metal ions, that have biological relevance under physiological conditions, were subjected to electron capture dissociation (ECD) to probe their structural features in the gas phase. Although, all the ECD spectra were strikingly different, typical ECD behavior was observed for complexes of the nonapeptide hormone oxytocin with Ni2+, Co2+ and Zn2+, i.e., abundant c/z' and a'/y backbone cleavages and ECD characteristic S-S and S-C bond cleavages were observed. We propose that, although in the oxytocin-transition metal ion complexes the metal ions serve as the main initial capture site, the captured electron is transferred to other sites in the complex to form a hydrogen radical, which drives the subsequent typical ECD fragmentations. The complex of oxytocin with Cu2+ displayed noticeably different ECD behavior. The fragment ions were similar to fragment ions typically observed with low-energy collision induced dissociation (CID). We propose that the electrons captured by the oxytocin-Cu2+ complex might be favorably involved in reducing the Cu2+ metal ion to Cu+. Subsequent energy redistribution would explain the observed low-energy CID-type fragmentations. Electron capture resulted also in quite different specific cleavage sites for the complexes of oxytocin with Ni2+, Co2+ and Zn2+. This is an indication for structural differences in these complexes possibly linked to their significantly different biological effects on oxytocin-receptor binding, and suggests that ECD may be used to study subtle structural differences in transition metal ion-peptide complexes.

Observed Personality in Childhood: Psychometric and Behavioral Genetic Evidence of Two Broad Personality Factors

PubMed Central

Wang, Zhe; Chen, Nan; Petrill, Stephen A.; Deater-Deckard, Kirby

2014-01-01

We examined broad dimensions of children’s personalities (total n = 1056; age = 3.5 to 12 years) based on observers’ perceptions following a few hours of structured interaction. Siblings’ behaviors during a two-hour cognitive assessment in the home were rated separately by two different observers. Exploratory and confirmatory factor analyses clearly revealed a two-factor solution in three different samples. There was correspondence between parent-rated temperament and the observer-rated factors. Cross-sectional analyses indicated lower Plasticity among older children and higher Stability among older children. Sex differences were negligible. Plasticity and Stability were correlated in the .2 to .3 range. Most of the sibling similarity in the Plasticity was due to additive genetic influences, whereas most sibling similarity in Stability was attributable to shared environmental influences. The findings implicate a biometric factor structure to childhood personality that fits well with emerging bio-social theories of personality development. PMID:24932065

Structure of selected basic zinc/copper (II) phosphate minerals based upon near-infrared spectroscopy--implications for hydrogen bonding.

PubMed

Frost, Ray L; Reddy, B Jagannadha; Palmer, Sara J; Keeffe, Eloise C

2011-03-01

The NIR spectra of reichenbachite, scholzite and parascholzite have been studied at 298 K. The spectra of the minerals are different, in line with composition and crystal structural variations. Cation substitution effects are significant in their electronic spectra and three distinctly different electronic transition bands are observed in the near-infrared spectra at high wavenumbers in the 12,000-7600 cm(-1) spectral region. Reichenbachite electronic spectrum is characterised by Cu(II) transition bands at 9755 and 7520 cm(-1). A broad spectral feature observed for ferrous ion in the 12,000-9000 cm(-1) region both in scholzite and parascholzite. Some what similarities in the vibrational spectra of the three phosphate minerals are observed particularly in the OH stretching region. The observation of strong band at 5090 cm(-1) indicates strong hydrogen bonding in the structure of the dimorphs, scholzite and parascholzite. The three phosphates exhibit overlapping bands in the 4800-4000 cm(-1) region resulting from the combinations of vibrational modes of (PO(4))(3-) units. Copyright © 2010 Elsevier B.V. All rights reserved.

RPA-mediated unfolding of systematically varying G-quadruplex structures.

PubMed

Ray, Sujay; Qureshi, Mohammad H; Malcolm, Dominic W; Budhathoki, Jagat B; Celik, Uğur; Balci, Hamza

2013-05-21

G-quadruplex (GQ) is a noncanonical nucleic acid structure that is formed by guanine rich sequences. Unless it is destabilized by proteins such as replication protein A (RPA), GQ could interfere with DNA metabolic functions, such as replication or repair. We studied RPA-mediated GQ unfolding using single-molecule FRET on two groups of GQ structures that have different loop lengths and different numbers of G-tetrad layers. We observed a linear increase in the steady-state stability of the GQ against RPA-mediated unfolding with increasing number of layers or decreasing loop length. The stability demonstrated by different GQ structures varied by at least three orders of magnitude. Those with shorter loops (less than three nucleotides long) or a greater number of layers (more than three layers) maintained a significant folded population even at physiological RPA concentration (≈1 μM), raising the possibility of physiological viability of such GQ structures. Finally, we measured the transition time between the start and end of the RPA-mediated GQ unfolding process to be 0.35 ± 0.10 s for all GQ constructs we studied, despite significant differences in their steady-state stabilities. We propose a two-step RPA-mediated GQ unfolding mechanism that is consistent with our observations. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

RPA-Mediated Unfolding of Systematically Varying G-Quadruplex Structures

PubMed Central

Ray, Sujay; Qureshi, Mohammad H.; Malcolm, Dominic W.; Budhathoki, Jagat B.; Çelik, Uğur; Balci, Hamza

2013-01-01

G-quadruplex (GQ) is a noncanonical nucleic acid structure that is formed by guanine rich sequences. Unless it is destabilized by proteins such as replication protein A (RPA), GQ could interfere with DNA metabolic functions, such as replication or repair. We studied RPA-mediated GQ unfolding using single-molecule FRET on two groups of GQ structures that have different loop lengths and different numbers of G-tetrad layers. We observed a linear increase in the steady-state stability of the GQ against RPA-mediated unfolding with increasing number of layers or decreasing loop length. The stability demonstrated by different GQ structures varied by at least three orders of magnitude. Those with shorter loops (less than three nucleotides long) or a greater number of layers (more than three layers) maintained a significant folded population even at physiological RPA concentration (≈1 μM), raising the possibility of physiological viability of such GQ structures. Finally, we measured the transition time between the start and end of the RPA-mediated GQ unfolding process to be 0.35 ± 0.10 s for all GQ constructs we studied, despite significant differences in their steady-state stabilities. We propose a two-step RPA-mediated GQ unfolding mechanism that is consistent with our observations. PMID:23708363

Wavelength-dependent ability of solar-induced chlorophyll fluorescence to estimate GPP

NASA Astrophysics Data System (ADS)

Liu, L.

2017-12-01

Recent studies have demonstrated that solar-induced chlorophyll fluorescence (SIF) can offer a new way for directly estimating the terrestrial gross primary production (GPP). In this paper, the wavelength-dependent ability of SIF to estimate GPP was investigated using both simulations by SCOPE model (Soil Canopy Observation, Photochemistry and Energy fluxes) and observations at the canopy level. Firstly, the response of the remotely sensed SIF at the canopy level to the absorbed photosynthetically active radiation (APAR ) was investigated. Both the simulations and observations confirm a linear relationship between canopy SIF and APAR, while it is species-specific and affected by biochemical components and canopy structure. The ratio of SIF to APAR varies greatly for different vegetation types, which is significant larger for canopy with horizontal structure than it with vertical structure. At red band, the ratio also decreases noticeable when chlorophyll content increases. Then, the performance of SIF to estimate GPP was investigated using diurnal observations of winter wheat at different grow stages. The results showed that the diurnal GPP could be robustly estimated from the SIF spectra for winter wheat at each growth stage, while the correlation weakened greatly at red band if all the observations made at different growth stages or all simulations with different LAI values were pooled together - a situation which did not occur at the far-red band. Finally, the SIF-based GPP models derived from the 2016 observations on winter wheat were well validated using the dataset from 2015, which give better performance for SIF at far-red band than that at red band. Therefore, it is very important to correct for reabsorption and scattering of the SIF radiative transfer from the photosystem to the canopy level before the remotely sensed SIF is linked to the GPP, especially at red band.

On the Parity of Structural Persistence in Language Production and Comprehension

PubMed Central

Tooley, Kristen M.; Bock, Kathryn

2014-01-01

Structural priming creates structural persistence. That is, differences in experience with syntax can change subsequent language performance, and the changes can be observed in both language production and comprehension. However, the effects in comprehension and production appear to differ. In comprehension, persistence is typically found when the verbs are the same in primes and targets; in production, persistence occurs without verb overlap. The contrast suggests a theoretically important hypothesis: parsing in comprehension is lexically driven while formulation in production is structurally driven. A major weakness in this hypothesis about comprehension-production differences is that its empirical motivation rests on the outcomes of experiments in which the priming manipulations differ, the primed sentence structures differ, and the measures of priming differ. To sharpen the comparison, we examined structural persistence with and without verb overlap in both reading comprehension and spoken production, using the same prime presentation procedure, the same syntactic structures, the same sentences, and the same participants. These methods yielded abstract sructural persistence in comprehension as well as production. A measure of the strength of persistence revealed significant effects of priming and verb overlap without significant comprehension—production differences. This argues for uniformity in the structural mechanisms of language processing. PMID:24803423

Network structure from rich but noisy data

NASA Astrophysics Data System (ADS)

Newman, M. E. J.

2018-06-01

Driven by growing interest across the sciences, a large number of empirical studies have been conducted in recent years of the structure of networks ranging from the Internet and the World Wide Web to biological networks and social networks. The data produced by these experiments are often rich and multimodal, yet at the same time they may contain substantial measurement error1-7. Accurate analysis and understanding of networked systems requires a way of estimating the true structure of networks from such rich but noisy data8-15. Here we describe a technique that allows us to make optimal estimates of network structure from complex data in arbitrary formats, including cases where there may be measurements of many different types, repeated observations, contradictory observations, annotations or metadata, or missing data. We give example applications to two different social networks, one derived from face-to-face interactions and one from self-reported friendships.

Challenges and Difficulties about College Counseling in China: Response to Portnoy (2013)

ERIC Educational Resources Information Center

Zhang, Ya; Yang, Wensheng; Liu, Mingbo; Wu, Mengyang

2016-01-01

Portnoy (2013) shared a series of personal observations about central issues in Chinese college mental health based on his Fulbright year in China. While we really appreciated his personal observations and his discussion, which shed light on cultural differences and structural forces in China, we present here a different perspective on his…

Uranus' and Neptune's Clouds as Revealed by UKIRT/UIST Observations

NASA Astrophysics Data System (ADS)

Irwin, Patrick G. J.; Teanby, N. A.; Davis, G. R.

2009-09-01

In 2006, 2007 and 2008 observations of the near-infrared spectrum of Uranus were made with the UIST instrument of the UK Infrared Telescope, covering the period of Uranus’ Northern Spring Equinox. A significant change in the visible appearance of Uranus occurred during this time with the southern polar zone at 45°S fading, while a corresponding zone at 45°N began to form. In addition the visibility of the equatorial zone increased. The observed spectra were fitted using the NEMESIS optimal estimation retrieval model to determine the variation in the latitudinal and vertical cloud structure during this time. Retrievals were conducted using both the methane absorption coefficients used in our previous analyses and also a newly available revised set of methane coefficients and significant differences were seen, which will be reported. During the Uranus observations in 2007, corresponding observations were also made of Neptune's near-infrared spectrum, albeit with substantially less spatial resolution. The spectra were nevertheless sufficient to retrieve the gross variation in Neptune's latitudinal-vertical cloud structure using both sets of methane absorption coefficients. The retrieved vertical-latitudinal cloud structure on Uranus and Neptune, observed with identical instrument setups, are directly compared and the similarities and differences will be presented and discussed.

Molecular and structural characteristics in toxic algae cultures of Ostreopsis ovata and Ostreopsis spp. evidenced by FTIR and FTNIR spectroscopy

NASA Astrophysics Data System (ADS)

Mecozzi, Mauro; Pietroletti, Marco; Tornambè, Andrea

2011-05-01

In this article we investigated the compositional and structural characteristics of the principal biomolecules such as carbohydrates, proteins, lipids, nucleic acids and chlorophyll pigments present in biofilm cultures of Ostreopsis spp. and in batch cultures of Ostreopsis ovata. Our approach based on the use of infrared (FTIR) and near infrared (FTNIR) spectroscopy showed the marked differences existing between biofilm cultures and batch cultures. FTIR spectroscopy showed the higher contents of polysaccharides and chlorophyll pigments in O. ovata from batch cultures with respect to Ostreopsis spp. Second derivative FTIR spectroscopy showed different features concerning the secondary structure of proteins because in O. ovata samples the beta sheet and beta turn structures were observed whereas in Ostreopsis spp. samples the alpha helix structure was the most evident. FTNIR spectroscopy showed other structural differences observed existing between O. ovata and Ostreopsis spp. mainly related to hydrogen bond interactions determining more packed structures in the nucleus of O. ovata. In addition, the interpretation of FTIR and FTNIR spectral information was also supported by the application of two statistical methods, the independent component analysis (ICA) and the spectral cross correlation analysis (SCCA). ICA was used as spectral deconvolution technique to separate the effects of the interference bicarbonate ion from algal FTIR spectra so to verify the high similar qualitative composition of the three biofilm samples of Ostreopsis spp. At last, SCCA applied to FTIR and FTNIR spectra was useful to evidence some structural differences involving -CH and CH 2 groups of aliphatic chains in O. ovata and Ostreopsis spp. samples. Though preliminary, these results agree with some previous studies suggesting that the presence of different ecophysiological characteristics in O. ovata and Ostreopsis spp. depending on the parameters related to the condition growth.

Some recent experimental results related to nuclear chirality

NASA Astrophysics Data System (ADS)

Timár, J.; Kuti, I.; Sohler, D.; Starosta, K.; Koike, T.; Paul, E. S.

2014-09-01

Detailed band structures of three chiral-candidate nuclei, 134Pr, 132La and 103Rh have been studied. The aim of the study was twofold. First, to try to explore the reasons behind the contradiction between the theoretically predicted chirality in these nuclei and the recently observed fingerprints that suggest non-chiral interpretation for the previous chiral candidate band doublets. Second, to search for multiple chiral bands of different types in these nuclei. In 134Pr a new πh11/2vh11/2 band has been observed besides the previously known chiral-candidate πh11/2vh11/2 doublet. This new band and the yrare πh11/2vh11/2 band show the expected features of a chiral doublet structure. This fact combined with the observed similarity between the band structures of 134Pr and 132La suggests that chirality might exist in these nuclei. The detailed study of the 103Rh band structure resulted in the observation of two new chiral-doublet looking structures besides the previously known one. This is indicative of possible existence of multiple chiral doublet structure in this nucleus.

Numerical simulation of colloidal self-assembly of super-hydrophobic arachnid cerotegument structures.

PubMed

Filippov, Alexander É; Wolff, Jonas O; Seiter, Michael; Gorb, Stanislav N

2017-10-07

Certain arachnids exhibit complex coatings of their exoskeleton, consisting of globular structures with complex surface features. This, so-called, cerotegument is formed by a multi-component colloidal secretion that self-assembles and cures on the body surface, and leads to high water repellency. Previous ultrastructural studies revealed the involvement of different glandular cells that contribute different components to the secretion mixture, but the overall process of self-assembly into the complex regular structures observed remained highly unclear. Here we study this process from a theoretical point of view, starting from the so-called Tammes-problem. We show that slight changes of simple parameters lead to a variety of morphologies that are highly similar to the ones observed in the species specific cerotegument structures of whip-spiders. These results are not only important for our understanding of the formation of globular hierarchical structures in nature, but also for the fabrication of novel surface coatings by colloidal lithography. Copyright © 2017 Elsevier Ltd. All rights reserved.

The Effect of Structural Quality on Fatigue Life in 319 Aluminum Alloy Castings

NASA Astrophysics Data System (ADS)

Özdeş, Hüseyin; Tiryakioğlu, Murat

2017-02-01

Tensile and fatigue life data for 319 aluminum alloy from seventeen datasets reported in four independent studies from the literature have been reanalyzed. Analysis of fatigue life data involved mean stress correction for different R ratios used in fatigue testing, inclusion of survival (runout) data along with failure data, as well as volumetric correction for Weibull distributions for different specimen sizes used in these studies. Tensile data have been transformed into the structural quality index, Q T, which is used as a measure of the structural quality of castings. A distinct relationship has been observed between the expected fatigue life and mean quality index. Moreover, fatigue strengths at 104 and 106 cycles have been found increase with quality index, providing further evidence about the relationship observed between structural quality and fatigue performance. Empirical equations between Basquin parameters and structural quality index have been developed. The use of the comprehensive methodology to estimate fatigue life is demonstrated with an example.

Effectiveness of fishing gears to assess fish assemblage size structure in small lake ecosystems

Treesearch

T. A. Clement; K. Pangle; D. G. Uzarski; B. A. Murry

2014-01-01

Measurement of fish body-size distributions is increasingly used as a management tool to assess fishery status. However, the effects of gear selection on observed fish size structure has not received sufficient attention. Four different gear types (experimental gill nets, fine mesh bag seine, and two different sized mesh trap nets), which are commonly employed in the...

[Comparison of Physico-chemical Aspects between E. coli and Human Dihydrofolate Reductase: an Equilibrium Unfolding Study].

PubMed

Thapliyal, Charu; Jain, Neha; Chaudhuri, Pratima

2015-01-01

A protein, differing in origin, may exhibit variable physicochemical behaviour, difference in sequence homology, fold and function. Thus studying structure-function relationship of proteins from altered sources is meaningful in the sense that it may give rise to comparative aspects of their sequence-structure-function relationship. Dihydrofolate reductase is an enzyme involved in cell cycle regulation. It is a significant enzyme as.a target for developing anticancer drugs. Hence, detailed understanding of structure-function relationships of wide variants of the enzyme dihydrofolate reductase would be important for developing an inhibitor or an antagonist against the enzyme involved in the cellular developmental processes. In this communication, we have reported the comparative structure-function relationship between E. coli and human dihydrofolate reductase. The differences in the unfolding behaviour of these two proteins have been investigated to understand various properties of these two proteins like relative' stability differences and variation in conformational changes under identical denaturing conditions. The equilibrium unfolding mechanism of dihydrofolate reductase proteins using guanidine hydrochloride as a denaturant in the presence of various types of osmolytes has been monitored using loss in enzymatic activity, intrinsic tryptophan fluorescence and an extrinsic fluorophore 8-anilino-1-naphthalene-sulfonic acid as probes. It has been observed that osmolytes, such as 1M sucrose, and 30% glycerol, provided enhanced stability to both variants of dihydrofolate reductase. Their level of stabilisation has been observed to be dependent on intrinsic protein stability. It was observed that 100 mM proline does not show any 'significant stabilisation to either of dihydrofolate reductases. In the present study, it has been observed that the human protein is relatively less stable than the E.coli counterpart.

Shared Epizoic Taxa and Differences in Diatom Community Structure Between Green Turtles (Chelonia mydas) from Distant Habitats.

PubMed

Majewska, Roksana; de Vijver, Bart Van; Nasrolahi, Ali; Ehsanpour, Maryam; Afkhami, Majid; Bolaños, Federico; Iamunno, Franco; Santoro, Mario; De Stefano, Mario

2017-11-01

The first reports of diatoms growing on marine mammals date back to the early 1900s. However, only recently has direct evidence been provided for similar associations between diatoms and sea turtles. We present a comparison of diatom communities inhabiting carapaces of green turtles Chelonia mydas sampled at two remote sites located within the Indian (Iran) and Atlantic (Costa Rica) Ocean basins. Diatom observations and counts were carried out using scanning electron microscopy. Techniques involving critical point drying enabled observations of diatoms and other microepibionts still attached to sea turtle carapace and revealed specific aspects of the epizoic community structure. Species-poor, well-developed diatom communities were found on all examined sea turtles. Significant differences between the two host sea turtle populations were observed in terms of diatom abundance and their community structure (including growth form structure). A total of 12 and 22 diatom taxa were found from sea turtles in Iran and Costa Rica, respectively, and eight of these species belonging to Amphora, Chelonicola, Cocconeis, Navicula, Nitzschia and Poulinea genera were observed in samples from both locations. Potential mechanisms of diatom dispersal and the influence of the external environment, sea turtle behaviour, its life stage, and foraging and breeding habitats, as well as epibiotic bacterial flora on epizoic communities, are discussed.

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

Manikandan, M.; Santhosh, M.; Rajeswarapalanichamy, R., E-mail: rrpalanichamy@gmail.com

Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of actinide carbides AnC (An=U, Np) for three different crystal structures, namely NaCl, CsCl and ZnS. Among the considered structures, NaCl structure is found to be the most stable structure for these carbides at normal pressure. A pressure induced structural phase transition from NaCl to ZnS is observed. The electronic structure reveals that these carbides are metals. The calculated elastic constants indicate that these carbides are mechanically stable at normal pressure.

CO2 in solid para-hydrogen: spectral splitting and the CO2···(o-H2)n clusters.

PubMed

Du, Jun-He; Wan, Lei; Wu, Lei; Xu, Gang; Deng, Wen-Ping; Liu, An-Wen; Chen, Yang; Hu, Shui-Ming

2011-02-17

Complicated high-resolution spectral structures are often observed for molecules doped in solid molecular hydrogen. The structures can result from miscellaneous effects and are often interpreted differently in references. The spectrum of the ν(3) band of CO(2) in solid para-H(2) presents a model system which exhibits rich spectral structures. With the help of the potential energy simulation of the CO(2) molecule doped in para-hydrogen matrix, and extensive experiments with different CO(2) isotopologues and different ortho-hydrogen concentrations in the matrix, the spectral features observed in p-H(2) matrix are assigned to the CO(2)···(o-H(2))(n) clusters and also to energy level splitting that is due to different alignments of the doped CO(2) molecules in the matrix. The assignments are further supported by the dynamics analysis and also by the spectrum recorded with sample codoped with O(2) which serves as catalyst transferring o-H(2) to p-H(2) in the matrix at 4 K temperature. The observed spectral features of CO(2)/pH(2) can potentially be used as an alternative readout of the temperature and orthohydrogen concentration in the solid para-hydrogen.

Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences

PubMed Central

Gardill, Bernd R.; Vogl, Michael R.; Lin, Hai-Yan; Hammond, Geoffrey L.; Muller, Yves A.

2012-01-01

Corticosteroid-binding globulin (CBG) transports glucocorticoids and progesterone in the blood and thereby modulates the tissue availability of these hormones. As a member of the serine protease inhibitor (SERPIN) family, CBG displays a reactive center loop (RCL) that is targeted by proteinases. Cleavage of the RCL is thought to trigger a SERPIN-typical stressed-to-relaxed (S-to-R) transition that leads to marked structural rearrangements and a reduced steroid-binding affinity. To characterize structure-function relationships in CBG we studied various conformational states of E. coli-produced rat and human CBG. In the 2.5 Å crystal structure of human CBG in complex with progesterone, the RCL is cleaved at a novel site that differs from the known human neutrophil elastase recognition site. Although the cleaved RCL segment is five residues longer than anticipated, it becomes an integral part of β-sheet A as a result of the S-to-R transition. The atomic interactions observed between progesterone and CBG explain the lower affinity of progesterone in comparison to corticosteroids. Surprisingly, CD measurements in combination with thermal unfolding experiments show that rat CBG fails to undergo an S-to-R transition upon proteolytic cleavage of the RCL hinting that the S-to-R transition observed in human CBG is not a prerequisite for CBG function in rat. This observation cautions against drawing general conclusions about molecular mechanisms by comparing and merging structural data from different species. PMID:23300763

Large-scale structure after COBE: Peculiar velocities and correlations of cold dark matter halos

NASA Technical Reports Server (NTRS)

Zurek, Wojciech H.; Quinn, Peter J.; Salmon, John K.; Warren, Michael S.

1994-01-01

Large N-body simulations on parallel supercomputers allow one to simultaneously investigate large-scale structure and the formation of galactic halos with unprecedented resolution. Our study shows that the masses as well as the spatial distribution of halos on scales of tens of megaparsecs in a cold dark matter (CDM) universe with the spectrum normalized to the anisotropies detected by Cosmic Background Explorer (COBE) is compatible with the observations. We also show that the average value of the relative pairwise velocity dispersion sigma(sub v) - used as a principal argument against COBE-normalized CDM models-is significantly lower for halos than for individual particles. When the observational methods of extracting sigma(sub v) are applied to the redshift catalogs obtained from the numerical experiments, estimates differ significantly between different observation-sized samples and overlap observational estimates obtained following the same procedure.

Drift paths of ions composing multiple-nose spectral structures near the inner edge of the plasma sheet

DOE PAGES

Ferradas, C. P.; Zhang, J. -C.; Spence, H. E.; ...

2016-11-05

Here in this paper, we present a case study of the H +, He +, and O + multiple-nose structures observed by the Helium, Oxygen, Proton, and Electron instrument on board Van Allen Probe A over one complete orbit on 28 September 2013. Nose structures are observed near the inner edge of the plasma sheet and constitute the signatures of ion drift in the highly dynamic environment of the inner magnetosphere. We find that the multiple noses are intrinsically associated with variations in the solar wind. Backward ion drift path tracings show new details of the drift trajectories of thesemore » ions; i.e., multiple noses are formed by ions with a short drift time from the assumed source location to the inner region and whose trajectories (1) encircle the Earth different number of times or (2) encircle the Earth equal number of times but with different drift time, before reaching the observation site.« less

Role of the nanocrystallinity on the chemical ordering of Co(x)Pt(100-x) nanocrystals synthesized by wet chemistry.

PubMed

Kameche, Farid; Ngo, Anh-Tu; Salzemann, Caroline; Cordeiro, Marco; Sutter, Eli; Petit, Christophe

2015-11-14

Co(x)Pt(100-x) nanoalloys have been synthesized by two different chemical processes either at high or at low temperature. Their physical properties and the order/disorder phase transition induced by annealing have been investigated depending on the route of synthesis. It is demonstrated that the chemical synthesis at high temperature allows stabilization of the fcc structure of the native nanoalloys while the soft chemical approach yields mainly poly or non crystalline structure. As a result the approach of the order/disorder phase transition is strongly modified as observed by high-resolution transmission electron microscopy (HR-TEM) studies performed during in situ annealing of the different nanoalloys. The control of the nanocrystallinity leads to significant decrease in the chemical ordering temperature as the ordered structure is observed at temperatures as low as 420 °C. This in turn preserves the individual nanocrystals and prevents their coalescence usually observed during the annealing necessary for the transition to an ordered phase.

Drift paths of ions composing multiple-nose spectral structures near the inner edge of the plasma sheet

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

Ferradas, C. P.; Zhang, J. -C.; Spence, H. E.

Here in this paper, we present a case study of the H +, He +, and O + multiple-nose structures observed by the Helium, Oxygen, Proton, and Electron instrument on board Van Allen Probe A over one complete orbit on 28 September 2013. Nose structures are observed near the inner edge of the plasma sheet and constitute the signatures of ion drift in the highly dynamic environment of the inner magnetosphere. We find that the multiple noses are intrinsically associated with variations in the solar wind. Backward ion drift path tracings show new details of the drift trajectories of thesemore » ions; i.e., multiple noses are formed by ions with a short drift time from the assumed source location to the inner region and whose trajectories (1) encircle the Earth different number of times or (2) encircle the Earth equal number of times but with different drift time, before reaching the observation site.« less

Capturing Gases in Carbon Honeycomb

NASA Astrophysics Data System (ADS)

Krainyukova, Nina V.

2017-04-01

In our recent paper (Krainyukova and Zubarev in Phys Rev Lett 116:055501, 2016. doi: 10.1103/PhysRevLett.116.055501) we reported the observation of an exceptionally stable honeycomb carbon allotrope obtained by deposition of vacuum-sublimated graphite. A family of structures can be built from absolutely dominant {sp}2-bonded carbon atoms, and may be considered as three-dimensional graphene. Such structures demonstrate high absorption capacity for gases and liquids. In this work we show that the formation of honeycomb structures is highly sensitive to the carbon evaporation temperature and deposition rates. Both parameters are controlled by the electric current flowing through thin carbon rods. Two distinctly different regimes were found. At lower electric currents almost pure honeycomb structures form owing to sublimation. At higher currents the surface-to-bulk rod melting is observed. In the latter case densification of the carbon structures and a large contribution of glassy graphite emerge. The experimental diffraction patterns from honeycomb structures filled with absorbed gases and analyzed by the advanced method are consistent with the proposed models for composites which are different for Ar, Kr and Xe atoms in carbon matrices.

Effect of Anions on Nanofiber Formation of β-sheet Propensity Amphiphile Peptide

NASA Astrophysics Data System (ADS)

Shamsudeen, H.; Tan, H. L.; Eshak, Z.

2018-05-01

Peptide self-assembly forms different nanostructures under simple alteration in the solution environment. Understanding the mechanism of the assembly will help us to control and tailor functional nanomaterials. This study aims to investigate the influence of anions on the self-assembly morphology and shape using a synthetic peptide of FFFFKK. Circular Dichoism (CD) and Environmental Scanning Electron Microscope (ESEM) were used to determine the secondary structure and self-assembly morphology, while Image J imaging software was used to measure diameter size. In the absence of anion, FFFFKK formed anti-parallel β-sheet that adopted sizeable fibrillar structure with a minimal increment over the first 7 hours of assembly. Irregular structure was observed in the presence of Iodide ion (I-) with a less stable secondary structure such as β-turn and β-loop. In the presence of perchlorate ion (ClO4 -), needle-like structure was observed with predominantly β-sheet structure. Our study showed that peptide morphology can be controlled by using different anions with careful selection of amino acid residues in peptide sequence.

Thunderstorm Charge Structures Producing Negative Gigantic Jets

NASA Astrophysics Data System (ADS)

Boggs, L.; Liu, N.; Riousset, J. A.; Shi, F.; Rassoul, H.

2016-12-01

Here we present observational and modeling results that provide insight into thunderstorm charge structures that produce gigantic jet discharges. The observational results include data from four different thunderstorms producing 9 negative gigantic jets from 2010 to 2014. We used radar, very high frequency (VHF) and low frequency (LF) lightning data to analyze the storm characteristics, charge structures, and lightning activity when the gigantic jets emerged from the parent thunderstorms. A detailed investigation of the evolution of one of the charge structures by analyzing the VHF data is also presented. The newly found charge structure obtained from the observations was analyzed with fractal modeling and compared with previous fractal modeling studies [Krehbiel et al., Nat. Geosci., 1, 233-237, 2008; Riousset et al., JGR, 115, A00E10, 2010] of gigantic jet discharges. Our work finds that for normal polarity thunderstorms, gigantic jet charge structures feature a narrow upper positive charge region over a wide middle negative charge region. There also likely exists a `ring' of negative screening charge located around the perimeter of the upper positive charge. This is different from previously thought charge structures of the storms producing gigantic jets, which had a very wide upper positive charge region over a wide middle negative charge region, with a very small negative screening layer covering the cloud top. The newly found charge structure results in leader discharge trees in the fractal simulations that closely match the parent flashes of gigantic jets inside and outside the thundercloud. The previously used charge structures, while vital to the understanding of gigantic jet initiation and the role of charge imbalances inside the cloud, do not produce leader discharge trees that agree with observed gigantic jet discharges.Finally, the newly discovered gigantic jet charge structures are formed near the end of a convective pulse [Meyer et al., JGR, 118, 2013; Lazarus et al., JGR, 120, 8469-8490, 2015] that pushes the negative screening charge radially outward and causes mixing around the updraft.

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces

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

Beste, Ariana; Overbury, Steven H.

We have explored the dehydrogenation of methoxy on pristine and defective (111), (100), and (110) ceria surfaces with density functional methods. Methanol conversion is used as a probe reaction to understand structure sensitivity of the oxide catalysis. Differences in reaction selectivity have been observed experimentally as a function of crystallographically exposed faces and degree of reduction. We find that the barrier for carbon-hydrogen cleavage in methoxy is similar for the pristine and defective (111), (100), and (110) surfaces. However, there are large differences in the stability of the surface intermediates on the different surfaces. The variations in experimentally observed productmore » selectivities are a consequence of the interplay between barrier controlled bond cleavage and desorption processes. Ultimately, subtle differences in activation energies for carbon-hydrogen cleavage on the different crystallographic faces of ceria could not be correlated with structural or electronic descriptors.« less

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces

DOE PAGES

Beste, Ariana; Overbury, Steven H.

2016-03-09

We have explored the dehydrogenation of methoxy on pristine and defective (111), (100), and (110) ceria surfaces with density functional methods. Methanol conversion is used as a probe reaction to understand structure sensitivity of the oxide catalysis. Differences in reaction selectivity have been observed experimentally as a function of crystallographically exposed faces and degree of reduction. We find that the barrier for carbon-hydrogen cleavage in methoxy is similar for the pristine and defective (111), (100), and (110) surfaces. However, there are large differences in the stability of the surface intermediates on the different surfaces. The variations in experimentally observed productmore » selectivities are a consequence of the interplay between barrier controlled bond cleavage and desorption processes. Ultimately, subtle differences in activation energies for carbon-hydrogen cleavage on the different crystallographic faces of ceria could not be correlated with structural or electronic descriptors.« less

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces.

PubMed

Beste, Ariana; Overbury, Steven H

2016-04-21

We have explored the dehydrogenation of methoxy on pristine and defective (111), (100), and (110) ceria surfaces with density functional methods. Methanol conversion is used as a probe reaction to understand structure sensitivity of the oxide catalysis. Differences in reaction selectivity have been observed experimentally as a function of crystallographically exposed faces and degree of reduction. We find that the barrier for carbon-hydrogen cleavage in methoxy is similar for the pristine and defective (111), (100), and (110) surfaces. However, there are large differences in the stability of the surface intermediates on the different surfaces. The variations in experimentally observed product selectivities are a consequence of the interplay between barrier controlled bond cleavage and desorption processes. Subtle differences in activation energies for carbon-hydrogen cleavage on the different crystallographic faces of ceria could not be correlated with structural or electronic descriptors.

Transport properties of electrons in fractal magnetic-barrier structures

NASA Astrophysics Data System (ADS)

Sun, Lifeng; Fang, Chao; Guo, Yong

2010-09-01

Quantum transport properties in fractal magnetically modulated structures are studied by the transfer-matrix method. It is found that the transmission spectra depend sensitively not only on the incident energy and the direction of the wave vector but also on the stage of the fractal structures. Resonance splitting, enhancement, and position shift of the resonance peaks under different magnetic modulation are observed at four different fractal stages, and the relationship between the conductance in the fractal structure and magnetic modulation is also revealed. The results indicate the spectra of the transmission can be considered as fingerprints for the fractal structures, which show the subtle correspondence between magnetic structures and transport behaviors.

Examination of Cross-Scale Coupling During Auroral Events using RENU2 and ISINGLASS Sounding Rocket Data.

NASA Astrophysics Data System (ADS)

Kenward, D. R.; Lessard, M.; Lynch, K. A.; Hysell, D. L.; Hampton, D. L.; Michell, R.; Samara, M.; Varney, R. H.; Oksavik, K.; Clausen, L. B. N.; Hecht, J. H.; Clemmons, J. H.; Fritz, B.

2017-12-01

The RENU2 sounding rocket (launched from Andoya rocket range on December 13th, 2015) observed Poleward Moving Auroral Forms within the dayside cusp. The ISINGLASS rockets (launched from Poker Flat rocket range on February 22, 2017 and March 2, 2017) both observed aurora during a substorm event. Despite observing very different events, both campaigns witnessed a high degree of small scale structuring within the larger auroral boundary, including Alfvenic signatures. These observations suggest a method of coupling large-scale energy input to fine scale structures within aurorae. During RENU2, small (sub-km) scale drivers persist for long (10s of minutes) time scales and result in large scale ionospheric (thermal electron) and thermospheric response (neutral upwelling). ISINGLASS observations show small scale drivers, but with short (minute) time scales, with ionospheric response characterized by the flight's thermal electron instrument (ERPA). The comparison of the two flights provides an excellent opportunity to examine ionospheric and thermospheric response to small scale drivers over different integration times.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

Site-specific incorporation of uranyl carbonate species at the calcite surface

NASA Astrophysics Data System (ADS)

Reeder, Richard J.; Elzinga, Evert J.; Tait, C. Drew; Rector, K. D.; Donohoe, Robert J.; Morris, David E.

2004-12-01

Spatially resolved luminescence spectra from U(VI) co-precipitated at the (101¯4) growth surface of synthetic calcite single crystals confirm heterogeneous incorporation corresponding to the distribution of structurally non-equivalent steps composing the vicinal surfaces of spiral growth hillocks. Spectral structure from U(VI) luminescence at the "-" vicinal regions and featureless, weak luminescence at the "+" vicinal regions are consistent with previously reported observations of enrichment at the former sites during calcite growth. Luminescence spectra differ between the non-equivalent regions of the crystal, with the spectral features from the "-" vicinal region corresponding to those observed in bulk calcite samples. Subtle spectral shifts are observed from U(VI) co-precipitated with microcrystalline calcite synthesized by a different method, and all of the U(VI)-calcite sample spectra differ significantly from that of U(VI) co-precipitated with aragonite. The step-selective incorporation of U(VI) can be explained by a proposed model in which the allowed orientation for adsorption of the dominant calcium uranyl triscarbonate species is controlled by the atomic arrangement at step edges. Differences in the tilt angles of carbonate groups between non-equivalent growth steps favor adsorption of the calcium uranyl triscarbonate species at "-" steps, as observed in experiments.

Electronic Structure of HgBa2CaCu2O(6+delta) Epitaxial films measured by x-ray Photoemission

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Rupp, M.; Gupta, A.; Tsuei, C. C.

1995-01-01

The electronic structure and chemical states of HgBa2CaCu20(sub 6 + delta), epitaxial films have been studied with x-ray photelectron spectroscopy. Signals from the superconducting phase dominate all the core-level spectra, and a clear Fermi edge is observed in the valence-band region. The Ba, Ca, Cu, and O core levels are similar to those of Tl2Ba2CaCu208(+)O(sub 6 + delta), but distinct differences are observed in the valence bands which are consistent with differences in the calculated densities of states.

Using landscape ecology to test hypotheses about large-scale abundance patterns in migratory birds

USGS Publications Warehouse

Flather, C.H.; Sauer, J.R.

1996-01-01

The hypothesis that Neotropical migrant birds may be undergoing widespread declines due to land use activities on the breeding grounds has been examined primarily by synthesizing results from local studies. Growing concern for the cumulative influence of land use activities on ecological systems has heightened the need for large-scale studies to complement what has been observed at local scales. We investigated possible landscape effects on Neotropical migrant bird populations for the eastern United States by linking two large-scale inventories designed to monitor breeding-bird abundances and land use patterns. The null hypothesis of no relation between landscape structure and Neotropical migrant abundance was tested by correlating measures of landscape structure with bird abundance, while controlling for the geographic distance among samples. Neotropical migrants as a group were more 'sensitive' to landscape structure than either temperate migrants or permanent residents. Neotropical migrants tended to be more abundant in landscapes with a greater proportion of forest and wetland habitats, fewer edge habitats, large forest patches, and with forest habitats well dispersed throughout the scene. Permanent residents showed few correlations with landscape structure and temperate migrants were associated with habitat diversity and edge attributes rather than with the amount, size, and dispersion of forest habitats. The association between Neotropical migrant abundance and forest fragmentation differed among physiographic strata, suggesting that land-scape context affects observed relations between bird abundance and landscape structure. Finally, associations between landscape structure and temporal trends in Neotropical migrant abundance were negatively correlated with forest habitats. These results suggest that extrapolation of patterns observed in some landscapes is not likely to hold regionally, and that conservation policies must consider the variation in landscape structure associations observed among different types of bird species and in physiographic strata with varying land use histories.

Diffusion Region's Structure at the Subsolar Magnetopause with MMS Data

NASA Astrophysics Data System (ADS)

Cozzani, G.; Retino, A.; Califano, F.; Alexandrova, A.; Catapano, F.; Fu, H.; Le Contel, O.; Khotyaintsev, Y. V.; Vaivads, A.; Ahmadi, N.; Lindqvist, P. A.; Breuillard, H.; Mirioni, L.; Ergun, R.; Torbert, R. B.; Giles, B. L.; Russell, C. T.; Nakamura, R.; Moore, T. E.; Fuselier, S. A.; Mauk, B.; Burch, J.

2017-12-01

Magnetic reconnection occurs in the magnetosphere in thin current sheets, where a change in the magneticfield topology leads to rapid conversion of magnetic energy into ion and electron energy. To allow for magneticfield reconfiguration, both ions and electrons have to become demagnetized in the ion and electron diffusionregions, respectively. MMS spacecraft observations at inter-spacecraft separation ˜ 10 km (correspondingto ˜ 5 d_e at the magnetopause) allow, for the first time, to make multi-point studies of the structure of theelectron diffusion region (EDR). We present MMS observations on January,27th 2017 of one magnetopausecrossing close to the subsolar point showing several signatures consistent with an EDR encounter nearbya magnetic field minimum. The proximity to the reconnection site is further substantiated by the FirstOrder Taylor Expansion (FOTE) method applied to the magnetic field data. Observations suggest that allspacecraft passed through the EDR. Despite of the small inter-spacecraft separation (7 km), the observationsshow important differences among spacecraft. We focus on the comparison between MMS3 and MMS4 sincethey show the most striking differences. MMS3 measures a stronger parallel electron heating and highercurrent densities than MMS4. Both satellites observe crescent-shaped electron distribution functions on themagnetospheric side but MMS4 observes them over a longer time interval. These observations suggest thatMMS3 is passing closer to the reconnection site than MMS4. The differences between the observations by thetwo spacecraft indicate that the EDR is rather structured over scales of a few electron inertial lengths. Wealso evaluate the Generalized Ohm's law and find that the electric field is mainly balanced by the divergenceof the electron pressure tensor while the electron inertia term is negligible.

Structure and dynamics of star-forming galaxies across the history of the Universe using GRBs

NASA Astrophysics Data System (ADS)

Thöne, Christina; Fynbo, Johan; de Ugarte Postigo, Antonio

2015-08-01

Gamma-ray bursts are exploding massive stars and some of the most luminous explosions in the Universe. They can serve as powerful light houses that probe the structure and abundances of the dense ISM in their hosts at almost any redshift and not accessible by other types of observations, e.g. using quasars. Since 2009 our collaboration has collected UV to nIR medium-resolution spectra of over 70 GRB afterglows using the ESO/VLT X-shooter spectrograph. Our sample covers a redshift range from 0.06 to 6.3 allowing us to study the dynamics of the ISM in star-forming galaxies from the nearby Universe out to the epoch of reionization and for the first time in a statistically sound way. Absorption lines usually show a rich structure of different components due to galaxy dynamics, turbulences or in-/outflows and different ionization levels seem to arise from different regions in the host. Fine-structure lines some of which are uniquely observed in GRB hosts are excited in the dense regions close to the GRB site itself. For some host with z < 3 we can also simultaenously observe emission lines from the hot ISM, comparing the origin of hot and cold gas within the same galaxy. The large wavelength coverage of the sample gives us the unique opportunity to study the evolution of gas dynamics across most of the time galaxies have existed, how the gas structure changed over time and what is the importance and consistency of in- and ouflows. Here we will present the X-shooter GRB afterglow sample, our results on the study of absorption and emission line features and compare the observed structures with theoretical models of galaxies to get a unique insight on the distrubution and dynamics of the ISM in starforming galaxies at any redshift.

Results from CoMStOC - The Coronal Magnetic Structures Observing Campaign

NASA Technical Reports Server (NTRS)

Schmelz, J. T.; Holman, G. D.

1991-01-01

The Coronal Magnetic Structures Observing Campaign (CoMStOC) was designed to measure the magnetic field strength and determine its structure in the solar corona. Simultaneous soft X-ray and microwave observations were taken by the Solar Maximum Mission's X-ray Polychromator (XRP) and the Very Large Array (VLA) on four days in the campaign period (Nov 25 to Dec 21, 1987). XRP maps in soft X-ray resonance lines formed at different coronal temperatures provide accurate temperature and emission measure diagnostics. VLA maps at several frequencies in the 20 cm and 6 cm bands yield information on microwave structure, spectrum and polarization. The combined data set separates contributions from the two dominant microwave emission mechanisms, thermal bremsstrahlung and gyroresonance. Where gyroresonance dominates, the coronal magnetic field strength has been determined with the aid of theoretical modeling.

Results from CoMStOC - The Coronal Magnetic Structures Observing Campaign

NASA Astrophysics Data System (ADS)

Schmelz, J. T.; Holman, G. D.

The Coronal Magnetic Structures Observing Campaign (CoMStOC) was designed to measure the magnetic field strength and determine its structure in the solar corona. Simultaneous soft X-ray and microwave observations were taken by the Solar Maximum Mission's X-ray Polychromator (XRP) and the Very Large Array (VLA) on four days in the campaign period (Nov 25 to Dec 21, 1987). XRP maps in soft X-ray resonance lines formed at different coronal temperatures provide accurate temperature and emission measure diagnostics. VLA maps at several frequencies in the 20 cm and 6 cm bands yield information on microwave structure, spectrum and polarization. The combined data set separates contributions from the two dominant microwave emission mechanisms, thermal bremsstrahlung and gyroresonance. Where gyroresonance dominates, the coronal magnetic field strength has been determined with the aid of theoretical modeling.

The effect of host structure on the selectivity and mechanism of supramolecular catalysis of Prins cyclizations

DOE PAGES

Hart-Cooper, William M.; Zhao, Chen; Triano, Rebecca M.; ...

2014-11-28

The effect of host structure on the selectivity and mechanism of intramolecular Prins reactions is evaluated using K 12Ga 4L 6 tetrahedral catalysts. The host structure was varied by modifying the structure of the chelating moieties and the size of the aromatic spacers. While variation in chelator substituents was generally observed to affect changes in rate but not selectivity, changing the host spacer afforded differences in efficiency and product diastereoselectivity. An extremely high number of turnovers (up to 840) was observed. Maximum rate accelerations were measured to be on the order of 10 5, which numbers among the largest magnitudesmore » of transition state stabilization measured with a synthetic host-catalyst. Host/guest size effects were observed to play an important role in host-mediated enantioselectivity.« less

Multiangular Contributions for Discriminate Seasonal Structural Changes in the Amazon Rainforest Using MODIS MAIAC Data

NASA Astrophysics Data System (ADS)

Moura, Y. M.; Hilker, T.; Galvão, L. S.; Santos, J. R.; Lyapustin, A.; Sousa, C. H. R. D.; McAdam, E.

2014-12-01

The sensitivity of the Amazon rainforests to climate change has received great attention by the scientific community due to the important role that this vegetation plays in the global carbon, water and energy cycle. The spatial and temporal variability of tropical forests across Amazonia, and their phenological, ecological and edaphic cycles are still poorly understood. The objective of this work was to infer seasonal and spatial variability of forest structure in the Brazilian Amazon based on anisotropy of multi-angle satellite observations. We used observations from the Moderate Resolution Imaging Spectroradiometer (MODIS/Terra and Aqua) processed by a new Multi-Angle Implementation Atmospheric Correction Algorithm (MAIAC) to investigate how multi-angular spectral response from satellite imagery can be used to analyze structural variability of Amazon rainforests. We calculated differences acquired from forward and backscatter reflectance by modeling the bi-directional reflectance distribution function to infer seasonal and spatial changes in vegetation structure. Changes in anisotropy were larger during the dry season than during the wet season, suggesting intra-annual changes in vegetation structure and density. However, there were marked differences in timing and amplitude depending on forest type. For instance differences between reflectance hotspot and darkspot showed more anisotropy in the open Ombrophilous forest than in the dense Ombrophilous forest. Our results show that multi-angle data can be useful for analyzing structural differences in various forest types and for discriminating different seasonal effects within the Amazon basin. Also, multi-angle data could help solve uncertainties about sensitivity of different tropical forest types to light versus rainfall. In conclusion, multi-angular information, as expressed by the anisotropy of spectral reflectance, may complement conventional studies and provide significant improvements over approaches that are based on vegetation indices alone.

Functional and Structural Characterization of a Receptor-Like Kinase Involved in Germination and Cell Expansion in Arabidopsis.

PubMed

Wu, Zhen; Liang, Shan; Song, Wen; Lin, Guangzhong; Wang, Weiguang; Zhang, Heqiao; Han, Zhifu; Chai, Jijie

2017-01-01

Leucine-rich repeat receptor-like kinases (LRR-RLKs) are widespread in different plant species and play important roles in growth and development. Germination inhibition is vital for the completion of seed maturation and cell expansion is a fundamental cellular process driving plant growth. Here, we report genetic and structural characterizations of a functionally uncharacterized LRR-RLK, named GRACE (Germination Repression and Cell Expansion receptor-like kinase). Overexpression of GRACE in Arabidopsis exhibited delayed germination, enlarged cotyledons, rosette leaves and stubbier petioles. Conversely, these phenotypes were reversed in the T-DNA insertion knock-down mutant grace-1 plants. A crystal structure of the extracellular domain of GRACE (GRACE-LRR) determined at the resolution of 3.0 Å revealed that GRACE-LRR assumed a right-handed super-helical structure with an island domain (ID). Structural comparison showed that structure of the ID in GRACE-LRR is strikingly different from those observed in other LRR-RLKs. This structural observation implies that GRACE might perceive a new ligand for signaling. Collectively, our data support roles of GRACE in repressing seed germination and promoting cell expansion of Arabidopsis , presumably by perception of unknown ligand(s).

Functional and Structural Characterization of a Receptor-Like Kinase Involved in Germination and Cell Expansion in Arabidopsis

PubMed Central

Wu, Zhen; Liang, Shan; Song, Wen; Lin, Guangzhong; Wang, Weiguang; Zhang, Heqiao; Han, Zhifu; Chai, Jijie

2017-01-01

Leucine-rich repeat receptor-like kinases (LRR-RLKs) are widespread in different plant species and play important roles in growth and development. Germination inhibition is vital for the completion of seed maturation and cell expansion is a fundamental cellular process driving plant growth. Here, we report genetic and structural characterizations of a functionally uncharacterized LRR-RLK, named GRACE (Germination Repression and Cell Expansion receptor-like kinase). Overexpression of GRACE in Arabidopsis exhibited delayed germination, enlarged cotyledons, rosette leaves and stubbier petioles. Conversely, these phenotypes were reversed in the T-DNA insertion knock-down mutant grace-1 plants. A crystal structure of the extracellular domain of GRACE (GRACE-LRR) determined at the resolution of 3.0 Å revealed that GRACE-LRR assumed a right-handed super-helical structure with an island domain (ID). Structural comparison showed that structure of the ID in GRACE-LRR is strikingly different from those observed in other LRR-RLKs. This structural observation implies that GRACE might perceive a new ligand for signaling. Collectively, our data support roles of GRACE in repressing seed germination and promoting cell expansion of Arabidopsis, presumably by perception of unknown ligand(s). PMID:29213277

Uncertainty aggregation and reduction in structure-material performance prediction

NASA Astrophysics Data System (ADS)

Hu, Zhen; Mahadevan, Sankaran; Ao, Dan

2018-02-01

An uncertainty aggregation and reduction framework is presented for structure-material performance prediction. Different types of uncertainty sources, structural analysis model, and material performance prediction model are connected through a Bayesian network for systematic uncertainty aggregation analysis. To reduce the uncertainty in the computational structure-material performance prediction model, Bayesian updating using experimental observation data is investigated based on the Bayesian network. It is observed that the Bayesian updating results will have large error if the model cannot accurately represent the actual physics, and that this error will be propagated to the predicted performance distribution. To address this issue, this paper proposes a novel uncertainty reduction method by integrating Bayesian calibration with model validation adaptively. The observation domain of the quantity of interest is first discretized into multiple segments. An adaptive algorithm is then developed to perform model validation and Bayesian updating over these observation segments sequentially. Only information from observation segments where the model prediction is highly reliable is used for Bayesian updating; this is found to increase the effectiveness and efficiency of uncertainty reduction. A composite rotorcraft hub component fatigue life prediction model, which combines a finite element structural analysis model and a material damage model, is used to demonstrate the proposed method.

A Multiwavelength Study of Coronal Structure: A Simultaneous Observation from NIXT and YOHKOH

NASA Technical Reports Server (NTRS)

Golub, Leon

1998-01-01

Solar soft X-ray images taken simultaneously by the Yohkoh and the Normal Incidence X-ray Telescope (NIXT) reveal significantly different coronal structures. Coronal loops are more clearly seen in the Yohkoh images, and the isolated island-like structures seen in the NIXT image have been found to correspond to the footpoints of the Yohkoh loops. The difference is due to the difference in the temperature response of the telescopes: NIXT is sensitive to temperatures ranging from 0.9 to 3 MK, while Yohkoh is more sensitive to temperatures above 2.5 MK. The morphological differences reflect the multi-temperature (1-5 MK) nature of the solar coronal plasmas.

Markov models for fMRI correlation structure: Is brain functional connectivity small world, or decomposable into networks?

PubMed

Varoquaux, G; Gramfort, A; Poline, J B; Thirion, B

2012-01-01

Correlations in the signal observed via functional Magnetic Resonance Imaging (fMRI), are expected to reveal the interactions in the underlying neural populations through hemodynamic response. In particular, they highlight distributed set of mutually correlated regions that correspond to brain networks related to different cognitive functions. Yet graph-theoretical studies of neural connections give a different picture: that of a highly integrated system with small-world properties: local clustering but with short pathways across the complete structure. We examine the conditional independence properties of the fMRI signal, i.e. its Markov structure, to find realistic assumptions on the connectivity structure that are required to explain the observed functional connectivity. In particular we seek a decomposition of the Markov structure into segregated functional networks using decomposable graphs: a set of strongly-connected and partially overlapping cliques. We introduce a new method to efficiently extract such cliques on a large, strongly-connected graph. We compare methods learning different graph structures from functional connectivity by testing the goodness of fit of the model they learn on new data. We find that summarizing the structure as strongly-connected networks can give a good description only for very large and overlapping networks. These results highlight that Markov models are good tools to identify the structure of brain connectivity from fMRI signals, but for this purpose they must reflect the small-world properties of the underlying neural systems. Copyright © 2012 Elsevier Ltd. All rights reserved.

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

Li, X.J., E-mail: lixj@alum.imr.ac.cn

During the deposition of diamond films on Ti alloy substrates, titanium carbide is a common precipitated phase, preferentially formed at the interfacial region. However, in this case, the precipitation of an ordered structure of titanium carbide has not been reported. In our work, a long periodic ordered structure of TiC has been observed at the deposited diamond film/Ti alloy interface by high resolution transmission electron microscopy (HRTEM). The long periodic ordered structure is identified as 6H-type. The formation mechanism is revealed by comparative studies on the different structures of TiC precipitated under different diamond deposition conditions in terms of depositionmore » time, atmosphere and temperature. A large number of carbon vacancies in the interfacial precipitated TiC phase are verified through electron energy loss spectroscopy (EELS) quantification analysis. However, an ordered arrangement of these carbon vacancies occurs only when the interfacial stress is large enough to induce the precipitation of 6H-type TiC. The supplementary analysis by X-ray diffraction (XRD) further confirms that additional diffraction peaks presented in the XRD patterns are corresponding to the precipitation of 6H-type TiC. - Highlights: •Different structures of TiC are observed during deposited diamond on Ti alloy. •One is common NaCl structure, the other is periodic structure. •The periodic structure is identified as 6H-type by HRTEM. •Carbon vacancies are verified to always exist in the TiC phase. •The precipitation of 6H-type TiC is mainly affected by interfacial stress.« less

Three Dimensional Characterization of Typical Urban and Desert Particles: Implications to Particle Optics

NASA Astrophysics Data System (ADS)

Goel, V.; Mishra, S.; Ahlawat, A. S.; Sharma, C.; Kotnala, R. K.

2017-12-01

Aerosol particles are generally considered as chemically homogeneous spheres in the retrieval techniques of ground and space borne observations which is not accurate approach and can lead to erroneous observations. For better simulation of optical and radiative properties of aerosols, a good knowledge of aerosol's morphology, chemical composition and internal structure is essential. Till date, many studies have reported the morphology and chemical composition of particles but very few of them provide internal structure and spatial distribution of different chemical species within the particle. The research on the effect of particle internal structure and its contribution to particle optics is extremely limited. In present work, we characterize the PM10 particles collected form typical arid (the Thar Desert, Rajasthan, India) and typical urban (New Delhi, India) environment using microscopic techniques. The particles were milled several times to investigate their internal structure. The EDS (Energy Dispersive X-ray Spectroscopy) spectra were recorded after each milling to check the variation in the chemical composition. In arid environment, Fe, Ca, C, Al, and Mg rich shell was observed over a Si rich particle whereas in urban environment, shell of Hg, Ag, C and N was observed over a Cu rich particle. Based on the observations, different model shapes [homogenous sphere and spheroid; heterogeneous sphere and spheroid; core shell] have been considered for assessing the associated uncertainties with the routine modeling of optical properties where volume equivalent homogeneous sphere approximation is considered. The details will be discussed during presentation.

Long Periodic Structure of a Room-Temperature Ionic Liquid by High-Pressure Small-Angle X-Ray Scattering and Wide-Angle X-Ray Scattering: 1-Decyl-3-Methylimidazolium Chloride.

PubMed

Abe, Hiroshi; Hamaya, Nozomu; Koyama, Yoshihiro; Kishimura, Hiroaki; Takekiyo, Takahiro; Yoshimura, Yukihiro; Wakabayashi, Daisuke; Funamori, Nobumasa; Matsuishi, Kiyoto

2018-04-23

The Bragg reflections of 1-decyl-3-methylimidazolium chloride ([C 10 mim][Cl]), a room-temperature ionic liquid, are observed in a lowly scattered wavevector (q) region using high-pressure (HP) small-angle X-ray scattering methods. The HP crystal of [C 10 mim][Cl] was characterized by an extremely long periodic structure. The peak position at the lowest q (1.4 nm -1 ) was different from that of the prepeak observed in the liquid state (2.3 nm -1 ). Simultaneously, Bragg reflections at high-q were detected using HP wide-angle X-ray scattering. The longest lattice constant was estimated to be 4.3 nm using structural analysis. The crystal structure of HP differed from that of the low-temperature (LT) crystal and the LT liquid crystal. With increasing pressure, Bragg reflections in the high-q component became much broader, and were accompanied by phase transition, although those in the low-q component were observed to be relatively sharp. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermal decomposition of fullerene nanowhiskers protected by amorphous carbon mask

NASA Astrophysics Data System (ADS)

Guo, Hongxuan; Wang, Chengxiang; Miyazawa, Kun'Ichi; Wang, Hongxin; Masuda, Hideki; Fujita, Daisuke

2016-12-01

Fullerene nanostructures are well known for their unique morphology, physical and mechanical properties. The thermal stability of fullerene nanostructures, such as their sublimation at high temperature is also very important for studying their structures and applications. In this work, We observed fullerene nanowhiskers (FNWs) in situ with scanning helium ion microscopy (HIM) at elevated temperatures. The FNWs exhibited different stabilities with different thermal histories during the observation. The pristine FNWs were decomposed at the temperatures higher than 300 °C in a vacuum environment. Other FNWs were protected from decomposition with an amorphous carbon (aC) film deposited on the surface. Based on high spacial resolution, aC film with periodic structure was deposited by helium ion beam induced deposition (IBID) on the surface of FNWs. Annealed at the high temperature, the fullerene molecules were selectively sublimated from the FNWs. The periodic structure was formed on the surface of FNWs and observed by HIM. Monte Carlo simulation and Raman characterization proved that the morphology of the FNWs was changed by helium IBID at high temperature. This work provides a new method of fabricating artificial structure on the surface of FNWs with periodic aC film as a mask.

Numerical Simulation of the 9-10 June 1972 Black Hills Storm Using CSU RAMS

NASA Technical Reports Server (NTRS)

Nair, U. S.; Hjelmfelt, Mark R.; Pielke, Roger A., Sr.

1997-01-01

Strong easterly flow of low-level moist air over the eastern slopes of the Black Hills on 9-10 June 1972 generated a storm system that produced a flash flood, devastating the area. Based on observations from this storm event, and also from the similar Big Thompson 1976 storm event, conceptual models have been developed to explain the unusually high precipitation efficiency. In this study, the Black Hills storm is simulated using the Colorado State University Regional Atmospheric Modeling System. Simulations with homogeneous and inhomogeneous initializations and different grid structures are presented. The conceptual models of storm structure proposed by previous studies are examined in light of the present simulations. Both homogeneous and inhomogeneous initialization results capture the intense nature of the storm, but the inhomogeneous simulation produced a precipitation pattern closer to the observed pattern. The simulations point to stationary tilted updrafts, with precipitation falling out to the rear as the preferred storm structure. Experiments with different grid structures point to the importance of removing the lateral boundaries far from the region of activity. Overall, simulation performance in capturing the observed behavior of the storm system was enhanced by use of inhomogeneous initialization.

[Temporal and structural differences in the care of obese and non-obese people in nursing homes].

PubMed

Apelt, G; Ellert, S; Kuhlmey, A; Garms-Homolová, V

2012-08-01

Obesity is a common disease in Germany. Although care facilities are confronted with an increasing number of obese people, the care of them in nursing homes is barely investigated. The present study examines the amount of work using the example of the activity of dressing obese and non-obese nursing home residents and discloses with its temporal and structural differences. In five nursing homes in Berlin a fully structured observational study based on a convenience sample was conducted. 48 nurses were observed while performing the activity of dressing 70 residents aged 65 years and older. The residents' demographic data and medical diagnoses were taken from the nursing records. Information about the functional/cognitive status and pain events were collected by using the interRAI Contact Assessment. Further data regarding the nurses were obtained through face-to-face interviews. The results show a significant correlation between Body Mass Index and the required time of dressing. No correlations exist between age, qualifications and nurses' level of education and the time of dressing. Structural differences in the care of obese and non-obese residents appear by changes of, single activity sequences. The care of the obese residents is associated with increased time requirements and structurally differs from the care of the non-obese residents. This should lead to further research because it has implications for staffing in nursing homes.

The effects of morphine on the temporal structure of Wistar rat behavioral response to pain in hot-plate.

PubMed

Casarrubea, Maurizio; Faulisi, Fabiana; Magnusson, Magnus S; Crescimanno, Giuseppe

2016-08-01

The largest amount of researches on the hot-plate test was carried out using quantitative assessments. However, the evaluation of the relationships among the different elements that compose the behavioral response to pain requires different approaches. Although previous studies have provided clear information on the behavioral structure of the response, no data are available on its temporal structure. The objective of this study was to investigate the temporal structure of the behavioral response to pain in Wistar rat tested in hot-plate and how this structure was influenced by morphine-induced analgesia. The behavior of four groups of subjects tested in hot-plate, one administered saline and three with different doses (3, 6, 12 mg/kg) of morphine IP, was analyzed by means of quantitative and t-pattern analyses. The latter is a multivariate technique able to detect the existence of statistically significant temporal relationships among the behavioral events in time. A clear-cut influence of morphine on quantitative parameters of the response to the noxious stimulation was observed. T-pattern analysis evidenced profound structural changes of behavior. Twenty-four different t-patterns were identified following saline, whereas a dose-dependent reduction was observed following morphine. Such a reduction was accompanied by a decrease of the total amount of t-patterns detected. Morphine, by reducing the effects of the noxious stimulation, orients animal behavior prevalently toward exploratory t-patterns. In addition, it is suggested that the temporal structure of the response is very quickly organized and adapted to environmental noxious cues.

The Instrument for the Observation of Teaching Activities (IOTA) and Alternative Approaches to Remediation of Teacher Weaknesses.

ERIC Educational Resources Information Center

Richardson, Donald C.; Hatley, Richard V.

1980-01-01

Comparing the effectiveness of different strategies for remediating teacher weaknesses, as measured by the Instrument for Observation of Teaching Activities (IOTA), 99 elementary and junior high school teachers were observed. The study revealed that combining IOTA feedback with structured inservice workshops focusing on narrow specific weaknesses…

Latitudinal Variations In Vertical Cloud Structure Of Jupiter As Determined By Ground- based Observation With Multispectral Imaging

NASA Astrophysics Data System (ADS)

Sato, T.; Kasaba, Y.; Takahashi, Y.; Murata, I.; Uno, T.; Tokimasa, N.; Sakamoto, M.

2008-12-01

We conducted ground-based observation of Jupiter with the liquid crystal tunable filter (LCTF) and EM-CCD camera in two methane absorption bands (700-757nm, 872-950nm at 3 nm step: total of 47 wavelengths) to derive detailed Jupiter's vertical cloud structure. The 2-meter reflector telescope at Nishi-Harima astronomical observatory in Japan was used for our observation on 26-30 May, 2008. After a series of image processing (composition of high quality images in each wavelength and geometry calibration), we converted observed intensity to absolute reflectivity at each pixel using standard star. As a result, we acquired Jupiter's data cubes with high-spatial resolution (about 1") and narrow band imaging (typically 7nm) in each methane absorption band by superimposing 30 Jupiter's images obtained in short exposure time (50 ms per one image). These data sets enable us to probe different altitudes of Jupiter from 100 mbar down to 1bar level with higher vertical resolution than using convectional interference filters. To interpret observed center-limb profiles, we developed radiative transfer code based on layer adding doubling algorithm to treat multiple scattering of solar light theoretically and extracted information on aerosol altitudes and optical properties using two-cloud model. First, we fit 5 different profiles simultaneously in continuum data (745-757 nm) to retrieve information on optical thickness of haze and single scattering albedo of cloud. Second, we fit 15 different profiles around 727nm methane absorption band and 13 different profiles around 890 nm methane absorption band to retrieve information on the aerosol altitude location and optical thickness of cloud. In this presentation, we present the results of these modeling simulations and discuss the latitudinal variations of Jupiter's vertical cloud structure.

Ludic Elicitation: Using Games for Knowledge Elicitation

ERIC Educational Resources Information Center

Cao, Yan

2014-01-01

Knowledge elicitation from human beings is important for many fields, such as decision support systems, risk communication, and customer preference studying. Traditional approaches include observations, questionnaires, structured and semi-structured interviews, and group discussions. Many publications have been studying different techniques for a…

Application of Solid-State NMR to Reveal Structural Differences in Cefazolin Sodium Pentahydrate from Different Manufacturing Processes

NASA Astrophysics Data System (ADS)

Tian, Ye; Wang, Wei D.; Zou, Wen-Bo; Qian, Jian-Qin; Hu, Chang-Qin

2018-04-01

The solid form of an active pharmaceutical ingredient is important when developing a new chemical entity. A solid understanding of the crystal structure and morphology that affect the mechanical and physical characteristics of pharmaceutical powders determines the manufacturing process. Solid-state NMR, thermogravimetric analysis, X-ray diffraction, and Fourier-transform infrared spectroscopy were combined with theoretical calculation to investigate different crystal packings of α-cefazolin sodium from three different vendors and conformational polymorphism was identified to exist in the α-cefazolin sodium. Marginal differences observed among CEZ-Na pentahydrate 1, 2, and 3 were speculated as the proportion of conformation 2. Understanding the differences in the polymorphic structure of α-cefazolin sodium may help with making modifications to incorporate new knowledge with a product’s development.

Ti-doped ZnO Thin Films Prepared at Different Ambient Conditions: Electronic Structures and Magnetic Properties

PubMed Central

Yong, Zhihua; Liu, Tao; Uruga, Tomoya; Tanida, Hajime; Qi, Dongchen; Rusydi, Andrivo; Wee, Andrew T. S.

2010-01-01

We present a comprehensive study on Ti-doped ZnO thin films using X-ray Absorption Fine Structure (XAFS) spectroscopy. Ti K edge XAFS spectra were measured to study the electronic and chemical properties of Ti ions in the thin films grown under different ambient atmospheres. A strong dependence of Ti speciation, composition, and local structures upon the ambient conditions was observed. The XAFS results suggest a major tetrahedral coordination and a 4+ valence state. The sample grown in a mixture of 80% Ar and 20% O2 shows a portion of precipitates with higher coordination. A large distortion was observed by the Ti substitution in the ZnO lattice. Interestingly, the film prepared in 80% Ar, 20% O2 shows the largest saturation magnetic moment of 0.827 ± 0.013 µB/Ti.

Holographic nondestructive testing in bone biomechanics

NASA Astrophysics Data System (ADS)

Silvennoinen, Raimo V. J.; Nygren, Kaarlo; Karna, Markku

1992-08-01

Holographic nondestructive testing (HNDT) is used to investigate the complex structures of bones of various shapes and sizes subjected to forces. During the course of the present study three antlered deer skulls of different species were investigated, and significant species- specific differences were observed. The HNDT method was also used to verify the advanced healing of an osteosynthetized sheep jawbone. Radioulnar bones of normal and orphaned moose calves were subjected to the bending test. Different bending dynamics were observed.

Differentiations of Chitin Content and Surface Morphologies of Chitins Extracted from Male and Female Grasshopper Species

PubMed Central

Kaya, Murat; Lelešius, Evaldas; Nagrockaitė, Radvilė; Sargin, Idris; Arslan, Gulsin; Mol, Abbas; Baran, Talat; Can, Esra; Bitim, Betul

2015-01-01

In this study, we used Fourier transform infrared spectroscopy (FT-IR), elemental analysis (EA), thermogravimetric analysis (TGA), X-ray diffractometry (XRD), and scanning electron microscopy (SEM) to investigate chitin structure isolated from both sexes of four grasshopper species. FT-IR, EA, XRD, and TGA showed that the chitin was in the alpha form. With respect to gender, two main differences were observed. First, we observed that the quantity of chitin was greater in males than in females and the dry weight of chitin between species ranged from 4.71% to 11.84%. Second, using SEM, we observed that the male chitin surface structure contained 25 – 90nm wide nanofibers and 90 – 250 nm nanopores, while no pores or nanofibers were observed in the chitin surface structure of the majority of females (nanofibers were observed only in M. desertus females). In contrast, the elemental analysis, thermal properties, and crystalline index values for chitin were similar in males and females. Also, we carried out enzymatic digestion of the isolated chitins using commercial chitinase from Streptomyces griseus. We observed that there were no big differences in digestion rate of the chitins from both sexes and commercial chitin. The digestion rates were for grasshoppers’ chitins; 88.45–95.48% and for commercial chitin; 94.95%. PMID:25635814

Investigation of discrete states and quasidiscrete structures observed in 150Sm and 152Sm using the ( p,tγ) reaction

DOE PAGES

Peter, Humby; Simon, Anna; Beausang, C. W.; ...

2016-01-01

New levels and γ-ray transitions were identified in 150,152Sm utilizing the (p,t) reaction and particle-γ coincidence data. A large, peak-like structure observed between 2.3–3.0 MeV in excitation energy in the triton energy spectra was also investigated. The orbital angular-momentum transfer was probed by comparing the experimental angular distributions of the outgoing tritons to calculated distorted wave Born approximation curves. The angular distributions of the outgoing tritons populating the peak-like structure are remarkably similar in the two reactions and are significantly different from the angular distributions associated with the nearby continuum region. Relative partial cross sections for the observed levels, anglemore » averaged between 34 and 58 degrees, were measured. In 150Sm, 39(4)% of the strength of the peak-like structure could be accounted for by the observed discrete states. This compares with a value of 93(15)% for 152Sm« less

Investigation of discrete states and quasidiscrete structures observed in 150Sm and 152Sm using the ( p,tγ) reaction

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

Peter, Humby; Simon, Anna; Beausang, C. W.

New levels and γ-ray transitions were identified in 150,152Sm utilizing the (p,t) reaction and particle-γ coincidence data. A large, peak-like structure observed between 2.3–3.0 MeV in excitation energy in the triton energy spectra was also investigated. The orbital angular-momentum transfer was probed by comparing the experimental angular distributions of the outgoing tritons to calculated distorted wave Born approximation curves. The angular distributions of the outgoing tritons populating the peak-like structure are remarkably similar in the two reactions and are significantly different from the angular distributions associated with the nearby continuum region. Relative partial cross sections for the observed levels, anglemore » averaged between 34 and 58 degrees, were measured. In 150Sm, 39(4)% of the strength of the peak-like structure could be accounted for by the observed discrete states. This compares with a value of 93(15)% for 152Sm« less

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

Pashkin, E. Y.; Pankov, A. M.; Kulnitskiy, B. A.

The behavior of multiwall carbon nanotubes under a high pressure (up to 55 GPa) combined with shear deformation was studied by experimental and theoretical methods. The unexpectedly high stability of the nanotubes' structure under high stresses was observed. After the pressure was released, we observed that the nanotubes had restored their shapes. Atomistic simulations show that the hydrostatic and shear stresses affect the nanotubes' structure in a different way. It was found that the shear stress load in the multiwall nanotubes' outer walls can induce their connection and formation of an amorphized sp{sup 3}-hybridized region but internal core keeps the tubularmore » structure.« less

Neutron structure of human carbonic anhydrase II: a hydrogen-bonded water network "switch" is observed between pH 7.8 and 10.0.

PubMed

Fisher, Zoë; Kovalevsky, Andrey Y; Mustyakimov, Marat; Silverman, David N; McKenna, Robert; Langan, Paul

2011-11-08

The neutron structure of wild-type human carbonic anhydrase II at pH 7.8 has been determined to 2.0 Å resolution. Detailed analysis and comparison to the previously determined structure at pH 10.0 show important differences in the protonation of key catalytic residues in the active site as well as a rearrangement of the H-bonded water network. For the first time, a completed H-bonded network stretching from the Zn-bound solvent to the proton shuttling residue, His64, has been directly observed.

Electron microscopic observations of human sperm whole-mounts after extraction for nuclear matrix and intermediate filaments (NM-IF).

PubMed

Markova, Maya Dyankova

2004-10-01

The extraction for nuclear matrix and intermediate filaments (NM-IF) is used to reveal, isolate and study these highly resistant structures in different cell types. We applied for the first time this chemical dissection to human spermatozoa and observed them as whole-mounts by unembedded electron microscopy. The general appearance of NM-IF extracted sperm cells was preserved, showing the intermediate filament-like properties of their cytoskeletal components. In most heads, a network was observed in subacrosomal position, consisting of hubs interconnected by filaments. It seemed to be overlaid on another, finer network. The neck retained its integrity, allowing observations of the three-dimensional structure of the segmented columns. More distally, axoneme and outer dense fibres were covered by submitochondrial cytoskeleton in the middle piece and fibrous sheath in the principal piece, with the annulus usually detached from the fibrous sheath. End piece microtubules were retained in most cells and showed a tendency of cohesion, remaining in a parallel bundle or forming flat sheets. In conclusion, our results provided additional structural details of human sperm cytoskeleton and demonstrated the advantages of combining different methodological approaches in ultrastructural research.

A Visual Evaluation Study of Graph Sampling Techniques

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

Zhang, Fangyan; Zhang, Song; Wong, Pak C.

2017-01-29

We evaluate a dozen prevailing graph-sampling techniques with an ultimate goal to better visualize and understand big and complex graphs that exhibit different properties and structures. The evaluation uses eight benchmark datasets with four different graph types collected from Stanford Network Analysis Platform and NetworkX to give a comprehensive comparison of various types of graphs. The study provides a practical guideline for visualizing big graphs of different sizes and structures. The paper discusses results and important observations from the study.

Investigating homology between proteins using energetic profiles.

PubMed

Wrabl, James O; Hilser, Vincent J

2010-03-26

Accumulated experimental observations demonstrate that protein stability is often preserved upon conservative point mutation. In contrast, less is known about the effects of large sequence or structure changes on the stability of a particular fold. Almost completely unknown is the degree to which stability of different regions of a protein is generally preserved throughout evolution. In this work, these questions are addressed through thermodynamic analysis of a large representative sample of protein fold space based on remote, yet accepted, homology. More than 3,000 proteins were computationally analyzed using the structural-thermodynamic algorithm COREX/BEST. Estimated position-specific stability (i.e., local Gibbs free energy of folding) and its component enthalpy and entropy were quantitatively compared between all proteins in the sample according to all-vs.-all pairwise structural alignment. It was discovered that the local stabilities of homologous pairs were significantly more correlated than those of non-homologous pairs, indicating that local stability was indeed generally conserved throughout evolution. However, the position-specific enthalpy and entropy underlying stability were less correlated, suggesting that the overall regional stability of a protein was more important than the thermodynamic mechanism utilized to achieve that stability. Finally, two different types of statistically exceptional evolutionary structure-thermodynamic relationships were noted. First, many homologous proteins contained regions of similar thermodynamics despite localized structure change, suggesting a thermodynamic mechanism enabling evolutionary fold change. Second, some homologous proteins with extremely similar structures nonetheless exhibited different local stabilities, a phenomenon previously observed experimentally in this laboratory. These two observations, in conjunction with the principal conclusion that homologous proteins generally conserved local stability, may provide guidance for a future thermodynamically informed classification of protein homology.

First principles and experimental study of the electronic structure and phase stability of bulk thallium bromide

NASA Astrophysics Data System (ADS)

Smith, Holland M.; Zhou, Yuzhi; Ciampi, Guido; Kim, Hadong; Cirignano, Leonard J.; Shah, Kanai S.; Haller, E. E.; Chrzan, D. C.

2013-08-01

We apply state-of-art first principle calculations to study the polymorphism and electronic structure of three previously reported phases of TlBr. The calculated band structures of NaCl-structure phase and orthorhombic-structure phase have different features than that of commonly observed CsCl-structure phase. We further interpret photoluminescence spectra based on our calculations. Several peaks close to calculated band gap values of the NaCl-structure phase and the orthorhombic-structure phase are found in unpolished TlBr samples.

Electron acceleration behind a wavy dipolarization front

NASA Astrophysics Data System (ADS)

Wu, Mingyu; Lu, Quanming; Volwerk, Martin; Nakamura, Rumi; Zhang, Tielong

2018-02-01

In this paper, with the in-situ observations from the Time History of Events and Macroscale Interactions during Substorms (THEMIS) probes we report a wavy dipolarization front (DF) event, where the DF has different magnetic structures and electron distributions at different y positions in the Geocentric Solar Magnetospheric (GSM) coordinates. At y ˜2.1RE (RE is the radius of Earth), the DF has a relatively simple structure, which is similar to that of a conventional DF. At y ˜3.0RE, the DF is revealed to have a multiple DF structure, where the plasma exhibits a vortex flow. Such a wavy DF could be the results of the interchange instability. The different structure of such a wavy DF at different sites has a great effect on electron acceleration. Fermi acceleration can occur at the site of the DF with a simple or multiple DF structure, while betatron acceleration as a local process has the contribution to energetic electrons only at the site of the DF with a simple structure.

Recovering the fine structures in solar images

NASA Technical Reports Server (NTRS)

Karovska, Margarita; Habbal, S. R.; Golub, L.; Deluca, E.; Hudson, Hugh S.

1994-01-01

Several examples of the capability of the blind iterative deconvolution (BID) technique to recover the real point spread function, when limited a priori information is available about its characteristics. To demonstrate the potential of image post-processing for probing the fine scale and temporal variability of the solar atmosphere, the BID technique is applied to different samples of solar observations from space. The BID technique was originally proposed for correction of the effects of atmospheric turbulence on optical images. The processed images provide a detailed view of the spatial structure of the solar atmosphere at different heights in regions with different large-scale magnetic field structures.

Comparison of electronic structure between monolayer silicenes on Ag (111)

NASA Astrophysics Data System (ADS)

Chun-Liang, Lin; Ryuichi, Arafune; Maki, Kawai; Noriaki, Takagi

2015-08-01

The electronic structures of monolayer silicenes (4 × 4 and ) grown on Ag (111) surface are studied by scanning tunneling spectroscopy (STS) and density functional theory (DFT) calculations. While both phases have similar electronic structures around the Fermi level, significant differences are observed in the higher energy unoccupied states. The DFT calculations show that the contributions of Si 3pz orbitals to the unoccupied states are different because of their different buckled configurations. Project supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) through Grants-in-Aid for Scientific Research (Grant Nos. 24241040 and 25110008) and the World Premier International Research Center Initiative (WPI), MEXT, Japan.

[Community structure of soil fauna in Eucalyptus grandis plantations at different slope locations].

PubMed

Zhao, Yu; Zhong, Yu; Zhang, Jian; Yang, Wan-qin

2010-09-01

To understand the effects of slope location on the community structure of soil fauna in Eucalyptus grandis plantation, an investigation was made on the soil fauna in 3 E. grandis plantations at different slope locations in the hilly area of Sichuan Province from January to October 2009. A total of 39,2762 individuals were observed, belonging to 146 groups, 7 phyla, 16 classes, and 31 orders. The community composition, trophic group, diversity, and seasonal dynamics of soil fauna in the plantations all varied with slope. The abundance of macro-fauna, xeric meso- and micro-fauna, saprophagous macro-fauna, and omnivorous xeric meso- and micro-fauna increased with the decrease of slope, indicating that soil fauna had sensitive responses to the soil environmental factors affected by slope. Significant differences in the diversity of soil saprophagous macro-fauna and hygrophilous meso- and micro-fauna were observed at different slope locations, suggesting that these two faunal groups could be used as the indicators of the habitat heterogeneity of E. grandis plantations at different slope. Overall, slope location had definite effects on the community structure and distribution of soil fauna in the E. grandis plantations, but the effects were not statistically significant.

Gender Differences in the Structure of Marital Quality.

PubMed

Beam, Christopher R; Marcus, Katherine; Turkheimer, Eric; Emery, Robert E

2018-05-01

Marriages consist of shared experiences and interactions between husbands and wives that may lead to different impressions of the quality of the relationship. Few studies, unfortunately, have tested gender differences in the structure of marital quality, and even fewer studies have evaluated whether genetic and environmental influences on marital quality differ across gender. In this study, we evaluated gender differences in the structure of marital quality using independent samples of married male (n = 2406) and married female (n = 2215) participants from the National Survey of Midlife Development in the United States who provided ratings on twenty-eight marital quality items encompassing six marital quality constructs. We further explored gender differences in genetic and environmental influences on marital quality constructs in a subsample of 491 pairs of twins. Results suggest partial metric invariance across gender but structural variability in marital quality constructs. Notably, correlations between constructs were stronger in women than men. Results also support gender differences in the genetic and environmental influences on different aspects of marital quality. We discuss that men and women may approach and react to marriage differently as the primary reason why we observed differences in the structure of marital quality.

Observing preschoolers' social-emotional behavior: structure, foundations, and prediction of early school success.

PubMed

Denham, Susanne A; Bassett, Hideko Hamada; Thayer, Sara K; Mincic, Melissa S; Sirotkin, Yana S; Zinsser, Katherine

2012-01-01

Social-emotional behavior of 352 3- and 4-year-olds attending private child-care and Head Start programs was observed using the Minnesota Preschool Affect Checklist, Revised (MPAC-R). Goals of the investigation included (a) using MPAC-R data to extract a shortened version, MPAC-R/S, comparing structure, internal consistency, test-retest reliability, and stability of both versions; and, using the shortened measure, to examine (b) age, gender, and risk status differences in social-emotional behaviors; (c) contributions of emotion knowledge and executive function to social-emotional behaviors; and (d) contributions of social-emotional behaviors to early school adjustment and kindergarten academic success. Results show that reliability of MPAC-R/S was as good, or better, than the MPAC-R. MPAC-R/S structure, at both times of observation, included emotionally negative/aggressive, emotionally regulated/prosocial, and emotionally positive/productive behaviors; MPAC-R structure was similar but less replicable over time. Age, gender, and risk differences were found. Children's emotion knowledge contributed to later emotionally regulated/prosocial behavior. Finally, preschool emotionally negative/aggressive behaviors were associated with concurrent and kindergarten school success, and there was evidence of social-emotional behavior mediating relations between emotion knowledge or executive function, and school outcomes. The importance of portable, empirically supported observation measures of social-emotional behaviors is discussed along with possible applications, teacher utilization, and implementation barriers.

Crystal Structures of T Cell Receptor (Beta) Chains Related to Rheumatoid Arthritis

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

Li,H.; van Vranken, S.; Zhao, Y.

The crystal structures of the V{beta}17+ {beta} chains of two human T cell receptors (TCRs), originally derived from the synovial fluid (SF4) and tissue (C5-1) of a patient with rheumatoid arthritis (RA), have been determined in native (SF4) and mutant (C5-1{sub F104{yields}Y/C187{yields}S}) forms, respectively. These TCR {beta} chains form homo-dimers in solution and in crystals. Structural comparison reveals that the main-chain conformations in the CDR regions of the C5-1 and SF4 V{beta}17 closely resemble those of a V{beta}17 JM22 in a bound form; however, the CDR3 region shows different conformations among these three V{beta}17 structures. At the side-chain level, conformationalmore » differences were observed at the CDR2 regions between our two ligand-free forms and the bound JM22 form. Other significant differences were observed at the V{beta} regions 8-12, 40-44, and 82-88 between C5-1/SF4 and JM22 V{beta}17, implying that there is considerable variability in the structures of very similar {beta} chains. Structural alignments also reveal a considerable variation in the V{beta}-C{beta} associations, and this may affect ligand recognition. The crystal structures also provide insights into the structure basis of T cell recognition of Mycoplasma arthritidis mitogen (MAM), a superantigen that may be implicated in the development of human RA. Structural comparisons of the V{beta} domains of known TCR structures indicate that there are significant similarities among V{beta} regions that are MAM-reactive, whereas there appear to be significant structural differences among those V{beta} regions that lack MAM-reactivity. It further reveals that CDR2 and framework region (FR) 3 are likely to account for the binding of TCR to MAM.« less

Nonlinear development of shocklike structure in the solar wind.

PubMed

Lee, E; Parks, G K; Wilber, M; Lin, N

2009-07-17

We report first in situ multispacecraft observations of nonlinear steepening of compressional pulses in the solar wind upstream of Earth's bow shock. The magnetic field of a compressional pulse formed at the upstream edge of density holes is shown to suddenly break and steepen into a shocklike structure. During the early phase of development thermalization of ions is insignificant. Substantial thermalization of ions occurs as gyrating ions are observed at the steepened edge. These observations indicate that the mechanisms causing the dissipation of magnetic fields (currents) and ions are different in the early phase of shock development.

A Network Model of Observation and Imitation of Speech

PubMed Central

Mashal, Nira; Solodkin, Ana; Dick, Anthony Steven; Chen, E. Elinor; Small, Steven L.

2012-01-01

Much evidence has now accumulated demonstrating and quantifying the extent of shared regional brain activation for observation and execution of speech. However, the nature of the actual networks that implement these functions, i.e., both the brain regions and the connections among them, and the similarities and differences across these networks has not been elucidated. The current study aims to characterize formally a network for observation and imitation of syllables in the healthy adult brain and to compare their structure and effective connectivity. Eleven healthy participants observed or imitated audiovisual syllables spoken by a human actor. We constructed four structural equation models to characterize the networks for observation and imitation in each of the two hemispheres. Our results show that the network models for observation and imitation comprise the same essential structure but differ in important ways from each other (in both hemispheres) based on connectivity. In particular, our results show that the connections from posterior superior temporal gyrus and sulcus to ventral premotor, ventral premotor to dorsal premotor, and dorsal premotor to primary motor cortex in the left hemisphere are stronger during imitation than during observation. The first two connections are implicated in a putative dorsal stream of speech perception, thought to involve translating auditory speech signals into motor representations. Thus, the current results suggest that flow of information during imitation, starting at the posterior superior temporal cortex and ending in the motor cortex, enhances input to the motor cortex in the service of speech execution. PMID:22470360

The coherence of synthetic telomeres.

PubMed Central

Acevedo, O L; Dickinson, L A; Macke, T J; Thomas, C A

1991-01-01

The chromosomal telomeres of Oxytricha were synthesized and their ability to cohere examined on non-denaturing acrylamide gels containing the stabilizing cation K+. At least 5 different mobility species were observed, in addition to that of the monomeric telomere. By cohering synthetic telomeres containing different lengths of subtelomeric DNA, we showed that each of the different mobility species was a dimer of two telomeres. Since the different mobility species did not differ in numbers or sequences of nucleotides, they must correspond to different molecular shapes probably caused by different degrees of bending of the dimer. Paradoxically, telomeres with longer subtelomeric stems cohered more efficiently. In the presence of K+, solutions had to be heated to over 90 degrees before the telomeres separated. Various synthetic constructs, restriction endonuclease and dimethyl sulfate protection experiments showed that the only nucleotides involved in the cohered structures were the 16 base 'tails' of sequence 3'G4T4G4T4. Extension of this motif was actually inimical to coherence. Oligomers containing 2 G4T4 motifs protected their GN7 positions by forming dimers, those with 5 G4T4 could do so by internal folding, but the 3' terminal group of G4 was left unprotected. This suggests that only four groups of G4 are necessary for the cohered structure. Single-chain specific nuclease, S1, as well as osmium tetroxide, which oxidizes the thymine residues of single chains, reacted less efficiently with the cohered structures. Synthetic telomeres containing inosine replacing guanosine were not observed to cohere, indicating that the C2-NH2 is strongly stabilizing. The cohered structures appear to be unusually compact and sturdy units in which four G4 blocks form quadruplexes stabilized by K+. A new model for the cohered structure is presented. Images PMID:1648206

New observations, new theoretical results and controversies regarding PC 3-5 waves

NASA Astrophysics Data System (ADS)

Takahashi, K.

Observations and theories of medium- to long-period (Pc 3-5) magnetic pulsations excited by magnetospheric particles are described. Satellite observations indicate that most pulsations can be classified into two groups according to their magnetic field polarization. One group has a transverse magnetic perturbation and the other strongly compressional perturbation. Despite this difference in polarization they share common characteristics, including large azimuthal wave number, westward propagation, and antisymmetric field-aligned structure. Recent theories describe these observations in a unified framework. It has been pointed out that trapped energetic ions play an important role in determining the instability threshold and the mode structure of the pulsations. Observations and theories of energetic particle response to the excited pulsations are also described.

Computer simulation of formation and decomposition of Au13 nanoparticles

NASA Astrophysics Data System (ADS)

Stishenko, P.; Svalova, A.

2017-08-01

To study the Ostwald ripening process of Au13 nanoparticles a two-scale model is constructed: analytical approximation of average nanoparticle energy as function of nanoparticle size and structural motive, and the Monte Carlo model of 1000 particles ensemble. Simulation results show different behavior of particles of different structural motives. The change of the distributions of atom coordination numbers during the Ostwald ripening process was observed. The nanoparticles of the equal size and shape with the face-centered cubic structure of the largest sizes appeared to be the most stable.

Functional connectivity dynamically evolves on multiple time-scales over a static structural connectome: Models and mechanisms.

PubMed

Cabral, Joana; Kringelbach, Morten L; Deco, Gustavo

2017-10-15

Over the last decade, we have observed a revolution in brain structural and functional Connectomics. On one hand, we have an ever-more detailed characterization of the brain's white matter structural connectome. On the other, we have a repertoire of consistent functional networks that form and dissipate over time during rest. Despite the evident spatial similarities between structural and functional connectivity, understanding how different time-evolving functional networks spontaneously emerge from a single structural network requires analyzing the problem from the perspective of complex network dynamics and dynamical system's theory. In that direction, bottom-up computational models are useful tools to test theoretical scenarios and depict the mechanisms at the genesis of resting-state activity. Here, we provide an overview of the different mechanistic scenarios proposed over the last decade via computational models. Importantly, we highlight the need of incorporating additional model constraints considering the properties observed at finer temporal scales with MEG and the dynamical properties of FC in order to refresh the list of candidate scenarios. Copyright © 2017 Elsevier Inc. All rights reserved.

Cadmium-cysteine coordination in the BK inner pore region and its structural and functional implications.

PubMed

Zhou, Yu; Xia, Xiao-Ming; Lingle, Christopher J

2015-04-21

To probe structure and gating-associated conformational changes in BK-type potassium (BK) channels, we examined consequences of Cd(2+) coordination with cysteines introduced at two positions in the BK inner pore. At V319C, the equivalent of valine in the conserved Kv proline-valine-proline (PVP) motif, Cd(2+) forms intrasubunit coordination with a native glutamate E321, which would place the side chains of V319C and E321 much closer together than observed in voltage-dependent K(+) (Kv) channel structures, requiring that the proline between V319C and E321 introduces a kink in the BK S6 inner helix sharper than that observed in Kv channel structures. At inner pore position A316C, Cd(2+) binds with modest state dependence, suggesting the absence of an ion permeation gate at the cytosolic side of BK channel. These results highlight fundamental structural differences between BK and Kv channels in their inner pore region, which likely underlie differences in voltage-dependent gating between these channels.

The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin.

PubMed Central

Li, M; Dyda, F; Benhar, I; Pastan, I; Davies, D R

1995-01-01

Domain III of Pseudomonas aeruginosa exotoxin A catalyses the transfer of ADP-ribose from NAD to a modified histidine residue of elongation factor 2 in eukaryotic cells, thus inactivating elongation factor 2. This domain III is inactive in the intact toxin but is active in the isolated form. We report here the 2.5-A crystal structure of this isolated domain crystallized in the presence of NAD and compare it with the corresponding structure in the intact Pseudomonas aeruginosa exotoxin A. We observe a significant conformational difference in the active site region from Arg-458 to Asp-463. Contacts with part of domain II in the intact toxin prevent the adoption of the isolated domain conformation and provide a structural explanation for the observed inactivity. Additional electron density in the active site region corresponds to separate AMP and nicotinamide and indicates that the NAD has been hydrolyzed. The structure has been compared with the catalytic domain of the diphtheria toxin, which was crystallized with ApUp. Images Fig. 1 PMID:7568123

Significant Differences in Physicochemical Properties of Human Immunoglobulin Kappa and Lambda CDR3 Regions.

PubMed

Townsend, Catherine L; Laffy, Julie M J; Wu, Yu-Chang Bryan; Silva O'Hare, Joselli; Martin, Victoria; Kipling, David; Fraternali, Franca; Dunn-Walters, Deborah K

2016-01-01

Antibody variable regions are composed of a heavy and a light chain, and in humans, there are two light chain isotypes: kappa and lambda. Despite their importance in receptor editing, the light chain is often overlooked in the antibody literature, with the focus being on the heavy chain complementarity-determining region (CDR)-H3 region. In this paper, we set out to investigate the physicochemical and structural differences between human kappa and lambda light chain CDR regions. We constructed a dataset containing over 29,000 light chain variable region sequences from IgM-transcribing, newly formed B cells isolated from human bone marrow and peripheral blood. We also used a published human naïve dataset to investigate the CDR-H3 properties of heavy chains paired with kappa and lambda light chains and probed the Protein Data Bank to investigate the structural differences between kappa and lambda antibody CDR regions. We found that kappa and lambda light chains have very different CDR physicochemical and structural properties, whereas the heavy chains with which they are paired do not differ significantly. We also observed that the mean CDR3 N nucleotide addition in the kappa, lambda, and heavy chain gene rearrangements are correlated within donors but can differ between donors. This indicates that terminal deoxynucleotidyl transferase may work with differing efficiencies between different people but the same efficiency in the different classes of immunoglobulin chain within one person. We have observed large differences in the physicochemical and structural properties of kappa and lambda light chain CDR regions. This may reflect different roles in the humoral immune response.

Significant Differences in Physicochemical Properties of Human Immunoglobulin Kappa and Lambda CDR3 Regions

PubMed Central

Townsend, Catherine L.; Laffy, Julie M. J.; Wu, Yu-Chang Bryan; Silva O’Hare, Joselli; Martin, Victoria; Kipling, David; Fraternali, Franca; Dunn-Walters, Deborah K.

2016-01-01

Antibody variable regions are composed of a heavy and a light chain, and in humans, there are two light chain isotypes: kappa and lambda. Despite their importance in receptor editing, the light chain is often overlooked in the antibody literature, with the focus being on the heavy chain complementarity-determining region (CDR)-H3 region. In this paper, we set out to investigate the physicochemical and structural differences between human kappa and lambda light chain CDR regions. We constructed a dataset containing over 29,000 light chain variable region sequences from IgM-transcribing, newly formed B cells isolated from human bone marrow and peripheral blood. We also used a published human naïve dataset to investigate the CDR-H3 properties of heavy chains paired with kappa and lambda light chains and probed the Protein Data Bank to investigate the structural differences between kappa and lambda antibody CDR regions. We found that kappa and lambda light chains have very different CDR physicochemical and structural properties, whereas the heavy chains with which they are paired do not differ significantly. We also observed that the mean CDR3 N nucleotide addition in the kappa, lambda, and heavy chain gene rearrangements are correlated within donors but can differ between donors. This indicates that terminal deoxynucleotidyl transferase may work with differing efficiencies between different people but the same efficiency in the different classes of immunoglobulin chain within one person. We have observed large differences in the physicochemical and structural properties of kappa and lambda light chain CDR regions. This may reflect different roles in the humoral immune response. PMID:27729912

Modeling the atomistic growth behavior of gold nanoparticles in solution

NASA Astrophysics Data System (ADS)

Turner, C. Heath; Lei, Yu; Bao, Yuping

2016-04-01

The properties of gold nanoparticles strongly depend on their three-dimensional atomic structure, leading to an increased emphasis on controlling and predicting nanoparticle structural evolution during the synthesis process. In order to provide this atomistic-level insight and establish a link to the experimentally-observed growth behavior, a kinetic Monte Carlo simulation (KMC) approach is developed for capturing Au nanoparticle growth characteristics. The advantage of this approach is that, compared to traditional molecular dynamics simulations, the atomistic nanoparticle structural evolution can be tracked on time scales that approach the actual experiments. This has enabled several different comparisons against experimental benchmarks, and it has helped transition the KMC simulations from a hypothetical toy model into a more experimentally-relevant test-bed. The model is initially parameterized by performing a series of automated comparisons of Au nanoparticle growth curves versus the experimental observations, and then the refined model allows for detailed structural analysis of the nanoparticle growth behavior. Although the Au nanoparticles are roughly spherical, the maximum/minimum dimensions deviate from the average by approximately 12.5%, which is consistent with the corresponding experiments. Also, a surface texture analysis highlights the changes in the surface structure as a function of time. While the nanoparticles show similar surface structures throughout the growth process, there can be some significant differences during the initial growth at different synthesis conditions.

What a difference a bay makes: natural variation in dietary resources mediates growth in a recently settled herbivorous fish

NASA Astrophysics Data System (ADS)

Priest, Mark A.; Halford, Andrew R.; Clements, Kendall D.; Douglas, Emily; Abellana, Sheena L.; McIlwain, Jennifer L.

2016-12-01

Processes acting during the early stages of coral reef fish life cycles have a disproportionate influence on their adult abundance and community structure. Higher growth rates, for example, confer a major fitness advantage in larval and juvenile fishes, with larger fish undergoing significantly less mortality. The role of dietary resources in the size-structuring process has not been well validated, especially at the early post-settlement phase, where competition and predation are seen as preeminent drivers of juvenile fish assemblage structure. Here, we report on a size differential of 10-20% between recently settled Siganus spinus rabbitfish recruits from different bays around the Pacific island of Guam. This difference was maintained across multiple recruitment events within and between years. After confirming the validity of our observations through otolith increment analysis, subsequent investigation into the drivers of this variation revealed significant differences in the structure of algal assemblages between bays, congruent with the observed differences in size of the recently settled fish. Gut analyses showed a greater presence of algal types with higher levels of nitrogen and phosphorus in the stomachs of fish from Tanguisson, the bay with the largest observed recruits. To ensure this mechanism was one of causation and not correlation, we conducted a fully factorial experiment in which S. spinus recruits sampled from different bays were reared on all combinations of algal diets representative of the different bays. Recruits on the `Tanguisson' diet grew faster than recruits on other diets, regardless of their origin. We propose that the greater availability of high-quality dietary resources at this location is likely conferring benefits that impact on the population-level dynamics of this species. The spatial and temporal extent of this process clearly implicates food as a limiting resource, capable of mediating fish population dynamics at multiple spatial scales and ontogenetic phases.

Ion Spectral Structures Observed by the Van Allen Probes and Cluster

NASA Astrophysics Data System (ADS)

Ferradas, C.; Zhang, J.; Luo, H.; Kistler, L. M.; Spence, H. E.; Larsen, B.; Skoug, R. M.; Funsten, H. O.; Reeves, G. D.

2014-12-01

During the last decades several missions have recorded the presence of dynamic spectral features of energetic ions in the inner magnetosphere. Previous studies have revealed single "nose-like" structures occurring alone and simultaneous nose-like structures (up to three). In this study we also include signatures of new types of ion structure, namely "trunk-like" and "tusk-like" structures. All the ion structures are named after the characteristic shapes of energy bands or gaps in the energy-time spectrograms of in situ measured ion fluxes. They constitute the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. Multi-spacecraft analysis of these structures is important to understand their spatial distribution and temporal evolution. Mass spectrometers onboard Cluster (in a polar orbit) and the Van Allen Probes (in an equatorial orbit) measure energetic hydrogen, helium, and oxygen ions near the inner edge of the plasma sheet, where these ion structures are observed. We present a statistical study of the ion structures, using >1-year measurements from the two missions during the Van Allen Probes era. The results provide important details about the spatial distribution (dependence on geocentric distance and magnetic local time), spectral features of the structures (e.g., characteristic energy and differences among species), and geomagnetic and solar wind conditions under which these structures occur.

Ion Mobility Mass Spectrometry Analysis of Isomeric Disaccharide Precursor, Product and Cluster Ions

PubMed Central

Li, Hongli; Bendiak, Brad; Siems, William F.; Gang, David R.; Hill, Herbert H.

2015-01-01

RATIONALE Carbohydrates are highly variable in structure owing to differences in their anomeric configurations, monomer stereochemistry, inter-residue linkage positions and general branching features. The separation of carbohydrate isomers poses a great challenge for current analytical techniques. METHODS The isomeric heterogeneity of disaccharide ions and monosaccharideglycolaldehyde product ions evaluated using electrospray traveling wave ion mobility mass spectrometry (Synapt G2 high definition mass spectrometer) in both positive and negative ion modes investigation. RESULTS The separation of isomeric disaccharide ions was observed but not fully achieved based on their mobility profiles. The mobilities of isomeric product ions, the monosaccharide-glycolaldehydes, derived from different disaccharide isomers were measured. Multiple mobility peaks were observed for both monosaccharide-glycolaldehyde cations and anions, indicating that there was more than one structural configuration in the gas phase as verified by NMR in solution. More importantly, the mobility patterns for isomeric monosaccharide-glycolaldehyde product ions were different, which enabled partial characterization of their respective disaccharide ions. Abundant disaccharide cluster ions were also observed. The Results showed that a majority of isomeric cluster ions had different drift times and, moreover, more than one mobility peak was detected for a number of specific cluster ions. CONCLUSIONS It is demonstrated that ion mobility mass spectrometry is an advantageous method to assess the isomeric heterogeneity of carbohydrate compounds. It is capable of differentiating different types of carbohydrate ions having identical m/z values as well as multiple structural configurations of single compounds. PMID:24591031

Structural differences between single crystal and polycrystalline UBe 13

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

Volz, Heather Michelle; Vogel, Sven C.; Smith, Alice Iulia

Here, we report on observations of structural and chemical differences between samples of UBe 13 that were synthesised using two different methods. Unexplained discrepancies in properties between samples with differing synthesis had previously been found in this heavy fermion superconductor. A polycrystalline UBe13 sample was made by arc-melting the constituents. Single crystals were grown using an aluminium flux and had a consistently slightly larger lattice parameter than the polycrystals, which merited further study. Neutron diffraction data were collected at the Lujan Center at LANSCE on the HIPPO diffractometer. Aluminium was detected by inductively coupled plasma mass spectrometry (ICP-MS) in themore » flux-grown single crystal (0.803 wt%), and small amounts (~0.2 wt%) of thorium were detected in the UBe 13 polycrystalline sample. In order to probe the implications of the presence of Al, calculations by spin-polarised DFT-GGA+U show that the incorporation of Al onto the 96i site (the lowest symmetry site in the structure) is energetically more favourable than on other sites. In general, the trends calculated by DFT for bond lengths and lattice parameter increases are consistent with bond lengths experimentally observed by neutron diffraction, but specific percentage changes with aluminium incorporation may be obscured by the unexpected thorium in the polycrystalline sample. The aggregate of our initial observations suggests that incorporation of aluminium from the flux into single crystal UBe 13 is significant.« less

Structural differences between single crystal and polycrystalline UBe 13

DOE PAGES

Volz, Heather Michelle; Vogel, Sven C.; Smith, Alice Iulia; ...

2018-05-16

Here, we report on observations of structural and chemical differences between samples of UBe 13 that were synthesised using two different methods. Unexplained discrepancies in properties between samples with differing synthesis had previously been found in this heavy fermion superconductor. A polycrystalline UBe13 sample was made by arc-melting the constituents. Single crystals were grown using an aluminium flux and had a consistently slightly larger lattice parameter than the polycrystals, which merited further study. Neutron diffraction data were collected at the Lujan Center at LANSCE on the HIPPO diffractometer. Aluminium was detected by inductively coupled plasma mass spectrometry (ICP-MS) in themore » flux-grown single crystal (0.803 wt%), and small amounts (~0.2 wt%) of thorium were detected in the UBe 13 polycrystalline sample. In order to probe the implications of the presence of Al, calculations by spin-polarised DFT-GGA+U show that the incorporation of Al onto the 96i site (the lowest symmetry site in the structure) is energetically more favourable than on other sites. In general, the trends calculated by DFT for bond lengths and lattice parameter increases are consistent with bond lengths experimentally observed by neutron diffraction, but specific percentage changes with aluminium incorporation may be obscured by the unexpected thorium in the polycrystalline sample. The aggregate of our initial observations suggests that incorporation of aluminium from the flux into single crystal UBe 13 is significant.« less

Team structure and regulatory focus: the impact of regulatory fit on team dynamic.

PubMed

Dimotakis, Nikolaos; Davison, Robert B; Hollenbeck, John R

2012-03-01

We report a within-teams experiment testing the effects of fit between team structure and regulatory task demands on task performance and satisfaction through average team member positive affect and helping behaviors. We used a completely crossed repeated-observations design in which 21 teams enacted 2 tasks with different regulatory focus characteristics (prevention and promotion) in 2 organizational structures (functional and divisional), resulting in 84 observations. Results suggested that salient regulatory demands inherent in the task interacted with structure to determine objective and subjective team-level outcomes, such that functional structures were best suited to (i.e., had best fit with) tasks with a prevention regulatory focus and divisional structures were best suited to tasks with a promotion regulatory focus. This contingency finding integrates regulatory focus and structural contingency theories, and extends them to the team level with implications for models of performance, satisfaction, and team dynamics.

In Vivo Biological Evaluation of High Molecular Weight Multifunctional Acid-Degradable Polymeric Drug Carriers with Structurally Different Ketals.

PubMed

Shenoi, Rajesh A; Abbina, Srinivas; Kizhakkedathu, Jayachandran N

2016-11-14

Understanding the influence of degradable chemical moieties on in vivo degradation, tissue distribution, and excretion is critical for the design of novel biodegradable drug carriers. Polyketals have recently emerged as a promising therapeutic delivery platform due to their ability to degrade under mild acidic intracellular compartments and generation of nontoxic degradation products. However, the effect of chemical structure of the ketal groups on the in vivo degradation, biodistribution, and pharmacokinetics of water-soluble ketal-containing polymers has not been explored. In the present work, we synthesized high molecular weight, water-soluble biodegradable hyperbranched polyglycerols (BHPGs) through the incorporation of structurally different ketal groups into the main chain of highly biocompatible polyglycerols. BHPGs showed pH and ketal group structure dependent degradation in buffer solutions. When the polymers were intravenously administered in mice, a strong dependence of in vivo degradation, biodistribution, and clearance on the ketal group structure was observed. All the BHPGs demonstrated degradation and clearance in vivo, with minimal tissue accumulation. Interestingly, an unanticipated degradation behavior of BHPGs with structurally different ketal groups was observed in vivo in comparison to their degradation in buffer solutions. BHPGs with cyclohexyl ketal (CHK) and cyclopentyl ketal (CPK) groups degraded much faster and were cleared from circulation much rapidly, while BHPG with glycerol hydroxy butanone ketal (GHBK) group degraded at a much slower rate and exhibited similar plasma half-life as that of nondegradable HPG. BHPG-GHBK also showed significantly lower tissue accumulation than nondegradable HPG after 30 days of administration. The difference in in vivo degradation may be attributed to the difference in hydrophobic characteristics of different ketal containing polymers, which may change their interaction with proteins and cells in vivo. This is the first study that demonstrates the influence of chemical structure of ketal groups on in vivo degradation and circulation profile of polymers, and through proper surface modifications, these polymers would be useful as multifunctional drug carriers.

Implications of QRIS Design for the Distribution of Program Ratings and Linkages between Ratings and Observed Quality. OPRE Research Brief 2014-33

ERIC Educational Resources Information Center

Tout, Kathryn; Chien, Nina; Rothenberg, Laura; Li, Weilin

2014-01-01

This Brief compares three hypothetical Quality Rating and Improvement Systems (QRIS) that use different rating structures: block, points, and hybrid. Because the quality standards in the hypothetical QRIS are held relatively constant across structures, analyses can be conducted to determine how structure relates to key QRIS outcomes. Three…

Creating aperiodic photonic structures by synthesized Mathieu-Gauss beams

NASA Astrophysics Data System (ADS)

Vasiljević, Jadranka M.; Zannotti, Alessandro; Timotijević, Dejan V.; Denz, Cornelia; Savić, Dragana M. Jović

2017-08-01

We demonstrate a kind of aperiodic photonic structure realized using the interference of multiple Mathieu-Gauss beams. Depending on the beam configurations, their mutual distances, angles of rotation, or phase relations we are able to observe different classes of such aperiodic optically induced refractive index structures. Our experimental approach is based on the optical induction in a single parallel writing process.

Saturn's dynamic D ring

USGS Publications Warehouse

Hedman, M.M.; Burns, J.A.; Showalter, M.R.; Porco, C.C.; Nicholson, P.D.; Bosh, A.S.; Tiscareno, M.S.; Brown, R.H.; Buratti, B.J.; Baines, K.H.; Clark, R.

2007-01-01

The Cassini spacecraft has provided the first clear images of the D ring since the Voyager missions. These observations show that the structure of the D ring has undergone significant changes over the last 25 years. The brightest of the three ringlets seen in the Voyager images (named D72), has transformed from a narrow, <40-km wide ringlet to a much broader and more diffuse 250-km wide feature. In addition, its center of light has shifted inwards by over 200 km relative to other features in the D ring. Cassini also finds that the locations of other narrow features in the D ring and the structure of the diffuse material in the D ring differ from those measured by Voyager. Furthermore, Cassini has detected additional ringlets and structures in the D ring that were not observed by Voyager. These include a sheet of material just interior to the inner edge of the C ring that is only observable at phase angles below about 60??. New photometric and spectroscopic data from the ISS (Imaging Science Subsystem) and VIMS (Visual and Infrared Mapping Spectrometer) instruments onboard Cassini show the D ring contains a variety of different particle populations with typical particle sizes ranging from 1 to 100 microns. High-resolution images reveal fine-scale structures in the D ring that appear to be variable in time and/or longitude. Particularly interesting is a remarkably regular, periodic structure with a wavelength of ??? 30 ?? km extending between orbital radii of 73,200 and 74,000 km. A similar structure was previously observed in 1995 during the occultation of the star GSC5249-01240, at which time it had a wavelength of ??? 60 ?? km. We interpret this structure as a periodic vertical corrugation in the D ring produced by differential nodal regression of an initially inclined ring. We speculate that this structure may have formed in response to an impact with a comet or meteoroid in early 1984. ?? 2006 Elsevier Inc. All rights reserved.

Equatorial Density Irregularity Structures at Intermediate Scales and Their Temporal Evolution

NASA Technical Reports Server (NTRS)

Kil, Hyosub; Heelis, R. A.

1998-01-01

We examine high resolution measurements of ion density in the equatorial ionosphere from the AE-E satellite during the years 1977-1981. Structure over spatial scales from 18 km to 200 m is characterized by the spectrum of irregularities at larger and smaller scales and at altitudes above 350 km and below 300 km. In the low-altitude region, only small amplitude large-scale (lambda greater than 5 km) density modulations are often observed, and thus the power spectrum of these density structures exhibits a steep spectral slope at kilometer scales. In the high-altitude region, sinusoidal density fluctuations, characterized by enhanced power near 1-km scale, are frequently observed during 2000-0200 LT. However, such fluctuations are confined to regions at the edges of larger bubble structures where the average background density is high. Small amplitude irregularity structures, observed at early local time hours, grow rapidly to high-intensity structures in about 90 min. Fully developed structures, which are observed at late local time hours, decay very slowly producing only-small differences in spectral characteristics even 4 hours later. The local time evolution of irregularity structure is investigated by using average statistics for low-(1% less than sigma less than 5%) and high-intensity (sigma greater than 10%) structures. At lower altitudes, little chance in the spectral slope is seen as a function of local time, while at higher attitudes the growth and maintenance of structures near 1 km scales dramatically affects the spectral slope.

On the generation of climate model ensembles

NASA Astrophysics Data System (ADS)

Haughton, Ned; Abramowitz, Gab; Pitman, Andy; Phipps, Steven J.

2014-10-01

Climate model ensembles are used to estimate uncertainty in future projections, typically by interpreting the ensemble distribution for a particular variable probabilistically. There are, however, different ways to produce climate model ensembles that yield different results, and therefore different probabilities for a future change in a variable. Perhaps equally importantly, there are different approaches to interpreting the ensemble distribution that lead to different conclusions. Here we use a reduced-resolution climate system model to compare three common ways to generate ensembles: initial conditions perturbation, physical parameter perturbation, and structural changes. Despite these three approaches conceptually representing very different categories of uncertainty within a modelling system, when comparing simulations to observations of surface air temperature they can be very difficult to separate. Using the twentieth century CMIP5 ensemble for comparison, we show that initial conditions ensembles, in theory representing internal variability, significantly underestimate observed variance. Structural ensembles, perhaps less surprisingly, exhibit over-dispersion in simulated variance. We argue that future climate model ensembles may need to include parameter or structural perturbation members in addition to perturbed initial conditions members to ensure that they sample uncertainty due to internal variability more completely. We note that where ensembles are over- or under-dispersive, such as for the CMIP5 ensemble, estimates of uncertainty need to be treated with care.

In silico quantitative structure-toxicity relationship study of aromatic nitro compounds.

PubMed

Pasha, Farhan Ahmad; Neaz, Mohammad Morshed; Cho, Seung Joo; Ansari, Mohiuddin; Mishra, Sunil Kumar; Tiwari, Sharvan

2009-05-01

Small molecules often have toxicities that are a function of molecular structural features. Minor variations in structural features can make large difference in such toxicity. Consequently, in silico techniques may be used to correlate such molecular toxicities with their structural features. Relative to nine different sets of aromatic nitro compounds having known observed toxicities against different targets, we developed ligand-based 2D quantitative structure-toxicity relationship models using 20 selected topological descriptors. The topological descriptors have several advantages such as conformational independency, facile and less time-consuming computation to yield good results. Multiple linear regression analysis was used to correlate variations of toxicity with molecular properties. The information index on molecular size, lopping centric index and Kier flexibility index were identified as fundamental descriptors for different kinds of toxicity, and further showed that molecular size, branching and molecular flexibility might be particularly important factors in quantitative structure-toxicity relationship analysis. This study revealed that topological descriptor-guided quantitative structure-toxicity relationship provided a very useful, cost and time-efficient, in silico tool for describing small-molecule toxicities.

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

Hu Qiang; Zeng Xierong; Shenzhen Key Laboratory of Special Functional Materials, Shenzhen 518060

This paper reports the observation of the clear Invar effects of (Fe{sub 71.2}B{sub 24}Y{sub 4.8}){sub 96}Nb{sub 4} bulk metallic glass. The Invar effects of (Fe{sub 71.2}B{sub 24}Y{sub 4.8}){sub 96}Nb{sub 4} alloys in different structural states are also investigated in situ through cyclic thermal dilation tests at different cyclic temperatures. The results show that these Invar effects are strengthened in the relaxation amorphous state, weakened in the nanocrystalline state, and absent in the complete crystalline state. X-ray diffraction and Moessbauer spectroscopy demonstrate that the structural influences on Invar effects can be explained by the different local atomic arrangements around Fe atomsmore » in different structural states.« less

Role of nanocrystallinity on the chemical ordering of Co xPt 100-x nanocrystals synthesized by wet chemistry

DOE PAGES

Cordeiro, Marco; Kameche, Farid; Ngo, Anh -Tu; ...

2015-03-17

Co xPt 100–x nanoalloys have been synthesized by two different chemical processes either at high or at low temperature. Their physical properties and the order/disorder phase transition induced by annealing have been investigated depending on the route of synthesis. It is demonstrated that the chemical synthesis at high temperature allows stabilization of the fcc structure of the native nanoalloys while the soft chemical approach yields mainly poly or non crystalline structure. As a result the approach of the order/disorder phase transition is strongly modified as observed by high-resolution transmission electron microscopy (HR-TEM) studies performed during in situ annealing of themore » different nanoalloys. The control of the nanocrystallinity leads to significant decrease in the chemical ordering temperature as the ordered structure is observed at temperatures as low as 420 °C. Furthermore, this in turn preserves the individual nanocrystals and prevents their coalescence usually observed during the annealing necessary for the transition to an ordered phase.« less

Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences

PubMed Central

2016-01-01

X-ray crystallography has been applied to the structural analysis of a series of tetrapeptides that were previously assessed for catalytic activity in an atroposelective bromination reaction. Common to the series is a central Pro-Xaa sequence, where Pro is either l- or d-proline, which was chosen to favor nucleation of canonical β-turn secondary structures. Crystallographic analysis of 35 different peptide sequences revealed a range of conformational states. The observed differences appear not only in cases where the Pro-Xaa loop-region is altered, but also when seemingly subtle alterations to the flanking residues are introduced. In many instances, distinct conformers of the same sequence were observed, either as symmetry-independent molecules within the same unit cell or as polymorphs. Computational studies using DFT provided additional insight into the analysis of solid-state structural features. Select X-ray crystal structures were compared to the corresponding solution structures derived from measured proton chemical shifts, 3J-values, and 1H–1H-NOESY contacts. These findings imply that the conformational space available to simple peptide-based catalysts is more diverse than precedent might suggest. The direct observation of multiple ground state conformations for peptides of this family, as well as the dynamic processes associated with conformational equilibria, underscore not only the challenge of designing peptide-based catalysts, but also the difficulty in predicting their accessible transition states. These findings implicate the advantages of low-barrier interconversions between conformations of peptide-based catalysts for multistep, enantioselective reactions. PMID:28029251

Robustness of the bacterial community in the cabbage white butterfly larval midgut.

PubMed

Robinson, Courtney J; Schloss, Patrick; Ramos, Yolied; Raffa, Kenneth; Handelsman, Jo

2010-02-01

Microbial communities typically vary in composition and structure over space and time. Little is known about the inherent characteristics of communities that govern various drivers of these changes, such as random variation, changes in response to perturbation, or susceptibility to invasion. In this study, we use 16S ribosomal RNA gene sequences to describe variation among bacterial communities in the midguts of cabbage white butterfly (Pieris rapae) larvae and examine the influence of community structure on susceptibility to invasion. We compared communities in larvae experiencing the same conditions at different times (temporal variation) or fed different diets (perturbation). The most highly represented phylum was Proteobacteria, which was present in all midgut communities. The observed species richness ranged from six to 15, and the most abundant members affiliated with the genera Methylobacteria, Asaia, Acinetobacter, Enterobacter, and Pantoea. Individual larvae subjected to the same conditions at the same time harbored communities that were highly similar in structure and membership, whereas the communities observed within larval populations changed with diet and over time. In addition, structural changes due to perturbation coincided with enhanced susceptibility to invasion by Enterobacter sp. NAB3R and Pantoea stewartii CWB600, suggesting that resistance to invasion is in part governed by community structure. These findings along with the observed conservation of membership at the phylum level, variation in structure and membership at lower taxonomic levels, and its relative simplicity make the cabbage white butterfly larval community an attractive model for studying community dynamics and robustness.

A comparison of EBSD based strain indicators for the study of Fe-3Si steel subjected to cyclic loading

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

Schayes, Claire; Valeo Engine Electrical Systems, 2 Rue André Boulle, 94046 Créteil; Bouquerel, Jérémie, E-mail: jeremie.bouquerel@univ-lille1.fr

The current work aims at proposing an EBSD-based indicator for fatigue damage of a Fe-3Si steel. At the same time direct observation of dislocation structures is provided by electron channelling contrast imaging (ECCI). The investigation consisted in processing the EBSD data from patterns collected on specimen subjected to low cycle fatigue. It revealed two different regimes depending on the applied total strain variation which is explained by the identification of the dislocations structures and their evolution. At low strain variation, strain accommodation occurs by planar glide of dislocations uniformly distributed throughout the grains. No misorientation evolution is observed. At highermore » strain variation, the vein-channel structure is observed within the grain and the wall-channel structure in the vicinity of grain boundaries. The misorientation between these two dislocation structures is evaluated at about 0.7° which is detected by the EBSD analyses and explains the increase of the different misorientation based criteria. The EBSD study enables also the prediction of crack initiation mode. Finally, this study points out the limits of the EBSD technique as no misorientation evolution is detected at small strain variation. Indeed, the lattice distortion is too weak to be detected by conventional EBSD. - Highlights: • Microstructure investigation of the fatigue behaviour of an iron-silicon steel • Use of cECCI to investigate the fatigue dislocations structures • Characterisation of local plastic accommodation through EBSD misorientation criteria.« less

Dependence of Internal Crystal Structures of InAs Nanowires on Electrical Characteristics of Field Effect Transistors

NASA Astrophysics Data System (ADS)

Han, Sangmoon; Choi, Ilgyu; Lee, Kwanjae; Lee, Cheul-Ro; Lee, Seoung-Ki; Hwang, Jeongwoo; Chung, Dong Chul; Kim, Jin Soo

2018-02-01

We report on the dependence of internal crystal structures on the electrical properties of a catalyst-free and undoped InAs nanowire (NW) formed on a Si(111) substrate by metal-organic chemical vapor deposition. Cross-sectional transmission electron microscopy images, obtained from four different positions of a single InAs NW, indicated that the wurtzite (WZ) structure with stacking faults was observed mostly in the bottom region of the NW. Vertically along the InAs NW, the amount of stacking faults decreased and a zinc-blende (ZB) structure was observed. At the top of the NW, the ZB structure was prominently observed. The resistance and resistivity of the top region of the undoped InAs NW with the ZB structure were measured to be 121.5 kΩ and 0.19 Ω cm, respectively, which are smaller than those of the bottom region with the WZ structure, i.e., 251.8 kΩ and 0.39 Ω cm, respectively. The reduction in the resistance of the top region of the NW is attributed to the improvement in the crystal quality and the change in the ZB crystal structure. For a field effect transistor with an undoped InAs NW channel, the drain current versus drain-source voltage characteristic curves under various negative gate-source voltages were successfully observed at room temperature.

A Reinvestigation of the Dimer of para-Benzoquinone with Pyrimidine with MP2, CCSD(T) and DFT using Functionals including those Designed to Describe Dispersion

PubMed Central

Marianski, Mateusz; Oliva, Antoni

2012-01-01

We reevaluate the interaction of pyridine and p-benzoquinone using functionals designed to treat dispersion. We compare the relative energies of four different structures: stacked, T-shaped (identified for the first time) and two planar H-bonded geometries using these functionals (B97-D, ωB97x-D, M05, M05-2X, M06, M06L, M06-2X), other functionals (PBE1PBE, B3LYP, X3LYP), MP2 and CCSD(T) using basis sets as large as cc-pVTZ. The functionals designed to treat dispersion behave erratically as the predictions of the most stable structure vary considerably. MP2 predicts the experimentally observed structure (H-bonded) to be the least stable, while single point CCSD(T) at the MP2 optimized geometry correctly predicts the observed structure to be most stable. We have confirmed the assignment of the experimental structure using new calculations of the vibrational frequency shifts previously used to identify the structure. The MP2/cc-pVTZ vibrational calculations are in excellent agreement with the observations. All methods used to calculate the energies provide vibrational shifts that agree with the observed structure even though most do not predict this structure to be most stable. The implications for evaluating possible π-stacking in biologically important systems are discussed. PMID:22765283

A reinvestigation of the dimer of para-benzoquinone and pyrimidine with MP2, CCSD(T), and DFT using functionals including those designed to describe dispersion.

PubMed

Marianski, Mateusz; Oliva, Antoni; Dannenberg, J J

2012-08-02

We reevaluate the interaction of pyridine and p-benzoquinone using functionals designed to treat dispersion. We compare the relative energies of four different structures: stacked, T-shaped (identified for the first time), and two planar H-bonded geometries using these functionals (B97-D, ωB97x-D, M05, M05-2X, M06, M06L, and M06-2X), other functionals (PBE1PBE, B3LYP, X3LYP), MP2, and CCSD(T) using basis sets as large as cc-pVTZ. The functionals designed to treat dispersion behave erratically as the predictions of the most stable structure vary considerably. MP2 predicts the experimentally observed structure (H-bonded) to be the least stable, while single-point CCSD(T) at the MP2 optimized geometry correctly predicts the observed structure to be the most stable. We have confirmed the assignment of the experimental structure using new calculations of the vibrational frequency shifts previously used to identify the structure. The MP2/cc-pVTZ vibrational calculations are in excellent agreement with the observations. All methods used to calculate the energies provide vibrational shifts that agree with the observed structure even though most do not predict this structure to be most stable. The implications for evaluating possible π-stacking in biologically important systems are discussed.

Star formation and ISM morphology in tidally induced spiral structures

NASA Astrophysics Data System (ADS)

Pettitt, Alex R.; Tasker, Elizabeth J.; Wadsley, James W.; Keller, Ben W.; Benincasa, Samantha M.

2017-07-01

Tidal encounters are believed to be one of the key drivers of galactic spiral structure in the Universe. Such spirals are expected to produce different morphological and kinematic features compared to density wave and dynamic spiral arms. In this work, we present high-resolution simulations of a tidal encounter of a small mass companion with a disc galaxy. Included are the effects of gas cooling and heating, star formation and stellar feedback. The structure of the perturbed disc differs greatly from the isolated galaxy, showing clear spiral features that act as sites of new star formation, and displaying interarm spurs. The two arms of the galaxy, the bridge and tail, appear to behave differently; with different star formation histories and structure. Specific attention is focused on offsets between gas and stellar spiral features which can be directly compared to observations. We find that some offsets do exist between different media, with gaseous arms appearing mostly on the convex side of the stellar arms, though the exact locations appear highly time dependent. These results further highlight the differences between tidal spirals and other theories of arm structure.

Sodium chloride stress induced morphological and ultrastructural changes in Aspergillus repens.

PubMed

Kelavkar, U; Rao, K S; Ghhatpar, H S

1993-06-01

Halotolerant fungus, A. repens, showed a considerable difference in its growth rate, morphology, ultrastructural and molecular composition under NaCl stress as compared to control i.e. non-stressed condition. Light microscopic observations revealed significant differences in their mycelial thickness, their branching and septa. Transmission electron microscopic observations of both the conditions depicted significant differences in the qualitative and quantitative changes in mitochondria. Frequent pinocytotic vesiculation (vacuoles) of plasma membrane was observed in fungus under stress but no such vesiculation in control. The multivesiculate structures observed under stress with their origin from the cell membranes and subsequent release into vacuoles have not been reported in fungi under normal physiological conditions. The observations on pinocytosis are discussed in relation to ion compartmentation and salt tolerance in A. repens.

GCR Modulation by Small-Scale Features in the Interplanetary Medium

NASA Astrophysics Data System (ADS)

Jordan, A. P.; Spence, H. E.; Blake, J. B.; Mulligan, T. L.; Shaul, D. N.; Galametz, M.

2007-12-01

In an effort to uncover the properties of structures in the interplanetary medium (IPM) that modulate galactic cosmic rays (GCR) on short time-scales (from hours to days), we study periods of differing conditions in the IPM. We analyze GCR variations from spacecraft both inside and outside the magnetosphere, using the High Sensitivity Telescope (HIST) on Polar and the Spectrometer for INTEGRAL (SPI). We seek causal correlations between the observed GCR modulations and structures in the solar wind plasma and interplanetary magnetic field, as measured concurrently with ACE and/or Wind. Our analysis spans time-/size-scale variations ranging from classic Forbush decreases (Fds), to substructure embedded within Fds, to much smaller amplitude and shorter duration variations observed during comparatively benign interplanetary conditions. We compare and contrast the conditions leading to the range of different GCR responses to modulating structures in the IPM.

Electrochemical alloying of immiscible Ag and Co for their structural and magnetic analyses

NASA Astrophysics Data System (ADS)

Santhi, Kalavathy; Kumarsan, Dhanapal; Vengidusamy, Naryanan; Arumainathan, Stephen

2017-07-01

Electrochemical alloying of immiscible Ag and Co was carried out at different current densities from electrolytes of two different concentrations, after optimizing the electrolytic bath and operating conditions. The samples obtained were characterized using X-ray diffraction to confirm the simultaneous deposition of Ag and Co and to determine their crystallographic structure. The atomic percentage of Ag and Co contents in the granular alloy was determined by ICP-OES analysis. The XPS spectra were observed to confirm the presence of Ag and Co in the metallic form in the granular alloy samples. The micrographs observed using scanning and transmission electron microscopes threw light on the surface morphology and the size of the particles. The magnetic nature of the samples was analyzed at room temperature by a vibration sample magnetometer. Their magnetic phase transition while heating was also studied to provide further evidence for the magnetic behaviour and the structure of the deposits.

Comparison of the structure function F 2 as measured by charged lepton and neutrino scattering from iron targets

DOE PAGES

Kalantarians, N.; Keppel, C.; Christy, M. E.

2017-09-12

A comparison study of world data for the structure function F 2 for Iron, as measured by both charged lepton and neutrino scattering experiments, is presented. Consistency of results for both charged lepton and neutrino scattering is observed for the full global data set in the valence regime. Consistency is also observed at low x for the various neutrino data sets, as well as for the charged lepton data sets, independently. However, data from the two probes exhibit differences on the order of 15% in the shadowing/anti-shadowing transition region where the Bjorken scaling variable x is < 0.15. This observationmore » is indicative that neutrino probes of nucleon structure might be sensitive to different nuclear effects than charged lepton probes. Details and results of the data comparison are here presented.« less

Comparison of the structure function F 2 as measured by charged lepton and neutrino scattering from iron targets

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

Kalantarians, N.; Keppel, C.; Christy, M. E.

A comparison study of world data for the structure function F 2 for Iron, as measured by both charged lepton and neutrino scattering experiments, is presented. Consistency of results for both charged lepton and neutrino scattering is observed for the full global data set in the valence regime. Consistency is also observed at low x for the various neutrino data sets, as well as for the charged lepton data sets, independently. However, data from the two probes exhibit differences on the order of 15% in the shadowing/anti-shadowing transition region where the Bjorken scaling variable x is < 0.15. This observationmore » is indicative that neutrino probes of nucleon structure might be sensitive to different nuclear effects than charged lepton probes. Details and results of the data comparison are here presented.« less

Magnetospectroscopy of symmetric and anti-symmetric states in double quantum wells

NASA Astrophysics Data System (ADS)

Marchewka, M.; Sheregii, E. M.; Tralle, I.; Ploch, D.; Tomaka, G.; Furdak, M.; Kolek, A.; Stadler, A.; Mleczko, K.; Zak, D.; Strupinski, W.; Jasik, A.; Jakiela, R.

2008-02-01

The experimental results obtained for magnetotransport in the InGaAs/InAlAs double quantum well (DQW) structures of two different shapes of wells are reported. A beating effect occurring in the Shubnikov-de Haas (SdH) oscillations was observed for both types of structures at low temperatures in the parallel transport when the magnetic field was perpendicular to the layers. An approach for the calculation of the Landau level energies for DQW structures was developed and then applied to the analysis and interpretation of the experimental data related to the beating effect. We also argue that in order to account for the observed magnetotransport phenomena (SdH and integer quantum Hall effect), one should introduce two different quasi-Fermi levels characterizing two electron subsystems regarding the symmetry properties of their states, symmetric and anti-symmetric ones, which are not mixed by electron-electron interaction.

Summary of types of radiation belt electron precipitation observed by BARREL

NASA Astrophysics Data System (ADS)

Halford, Alexa

2016-07-01

The Balloon Array for Relativistic Radiation belt Electron Loss (BARREL) was able to infer precipitation of radiation belt electrons on multiple time scales and due to multiple loss mechanisms. One storm will be specifically highlighted which occurred on 26 January 2013 when a solar wind shock hit the Earth. Although MeV electrons were observed to be lost due to an EMIC wave event [Zhang et al in prep], and multiple periods of electron loss during substorms were observed [Rae et al submitted JGR, Mann et al in prep], we will consider an event period where loss associated with multiple time scales, and thus possibly different loss mechanisms was observed from 1000 - 1200 UT on 26 January 2013. At about 1005 UT on 26 January 2013 an injection of radiation belt electrons followed by drift echoes for energies of ˜80 - 400 keV. BARREL observed X-rays with energies less than 180 keV associated with multiple temporal structures during the drift echo event period. The Van Allen Probes were at similar L-values but upwards of 2 hours away in MLT. Upper band chorus and ULF waves were observed during the event period. Throughout the beginning of the event period, microbursts were clearly observed. During this time lower band chorus waves as well as time domain structures were observed at Van Allen Probe A located upwards of 2 hours away in MLT. This large difference in MLT meant that neither potential loss mechanism was able to be clearly associated with the microbursts. As the lower band chorus and time domain structures were observed to recede, the microbursts were also observed to subside. ULF time scale modulation of the X-rays was also observed throughout most of the event period. We will examine if the ULF waves are the cause of the precipitation themselves, or are modulating the loss of particles from a secondary loss mechanism [Brito et al 2015 JGR, Rae et al Submitted JGR]. Although the 100s ms and ULF time scales are clearly observed, there is an ˜20 minute overarching structure observed in the X-rays at BARREL. This longer time scale appears to match the drift period of the ˜300 keV electrons observed by the Van Allen probes. However the inferred energy of the precipitating electrons is ˜150 keV. It is unclear what may be causing the ˜20 minute structure in the X-rays. At the time of writing this abstract, it is unclear if the drifting of the 300 keV electrons is related to the precipitation of the lower energy electrons (< 180 keV) or if it is just coincidence that they have the same temporal structure.

Current rectification for transport of room-temperature ionic liquids through conical nanopores

DOE PAGES

Jiang, Xikai; Liu, Ying; Qiao, Rui

2016-02-09

Here, we studied the transport of room-temperature ionic liquids (RTILs) through charged conical nanopores using a Landau-Ginzburg-type continuum model that takes steric effect and strong ion-ion correlations into account. When the surface charge is uniform on the pore wall, weak current rectification is observed. When the charge density near the pore base is removed, the ionic current is greatly suppressed under negative bias voltage while nearly unchanged under positive bias voltage, thereby leading to enhanced current rectification. These predictions agree qualitatively with prior experimental observations, and we elucidated them by analyzing the different components of the ionic current and themore » structural changes of electrical double layers (EDLs) at the pore tip under different bias voltages and surface charge patterns. These analyses reveal that the different modifications of the EDL structure near the pore tip by the positive and negative bias voltages cause the current rectification and the observed dependence on the distribution of surface charge on the pore wall. The fact that the current rectification phenomena are captured qualitatively by the simple model originally developed for describing EDLs at equilibrium conditions suggests that this model may be promising for understanding the ionic transport under nonequilibrium conditions when the EDL structure is strongly perturbed by external fields.« less

Revisiting the structures of several antibiotics bound to the bacterial ribosome

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

Bulkley, David; Innis, C. Axel; Blaha, Gregor

2010-10-08

The increasing prevalence of antibiotic-resistant pathogens reinforces the need for structures of antibiotic-ribosome complexes that are accurate enough to enable the rational design of novel ribosome-targeting therapeutics. Structures of many antibiotics in complex with both archaeal and eubacterial ribosomes have been determined, yet discrepancies between several of these models have raised the question of whether these differences arise from species-specific variations or from experimental problems. Our structure of chloramphenicol in complex with the 70S ribosome from Thermus thermophilus suggests a model for chloramphenicol bound to the large subunit of the bacterial ribosome that is radically different from the prevailing model.more » Further, our structures of the macrolide antibiotics erythromycin and azithromycin in complex with a bacterial ribosome are indistinguishable from those determined of complexes with the 50S subunit of Haloarcula marismortui, but differ significantly from the models that have been published for 50S subunit complexes of the eubacterium Deinococcus radiodurans. Our structure of the antibiotic telithromycin bound to the T. thermophilus ribosome reveals a lactone ring with a conformation similar to that observed in the H. marismortui and D. radiodurans complexes. However, the alkyl-aryl moiety is oriented differently in all three organisms, and the contacts observed with the T. thermophilus ribosome are consistent with biochemical studies performed on the Escherichia coli ribosome. Thus, our results support a mode of macrolide binding that is largely conserved across species, suggesting that the quality and interpretation of electron density, rather than species specificity, may be responsible for many of the discrepancies between the models.« less

Revisiting the Structures of Several Antibiotics Bound to the Bacterial Ribosome

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

D Bulkley; C Innis; G Blaha

2011-12-31

The increasing prevalence of antibiotic-resistant pathogens reinforces the need for structures of antibiotic-ribosome complexes that are accurate enough to enable the rational design of novel ribosome-targeting therapeutics. Structures of many antibiotics in complex with both archaeal and eubacterial ribosomes have been determined, yet discrepancies between several of these models have raised the question of whether these differences arise from species-specific variations or from experimental problems. Our structure of chloramphenicol in complex with the 70S ribosome from Thermus thermophilus suggests a model for chloramphenicol bound to the large subunit of the bacterial ribosome that is radically different from the prevailing model.more » Further, our structures of the macrolide antibiotics erythromycin and azithromycin in complex with a bacterial ribosome are indistinguishable from those determined of complexes with the 50S subunit of Haloarcula marismortui, but differ significantly from the models that have been published for 50S subunit complexes of the eubacterium Deinococcus radiodurans. Our structure of the antibiotic telithromycin bound to the T. thermophilus ribosome reveals a lactone ring with a conformation similar to that observed in the H. marismortui and D. radiodurans complexes. However, the alkyl-aryl moiety is oriented differently in all three organisms, and the contacts observed with the T. thermophilus ribosome are consistent with biochemical studies performed on the Escherichia coli ribosome. Thus, our results support a mode of macrolide binding that is largely conserved across species, suggesting that the quality and interpretation of electron density, rather than species specificity, may be responsible for many of the discrepancies between the models.« less

Magneto-optical studies of ensembles of semimagnetic self-organized Cd(Mn)Se/Zn(Mn)Se Quantum Dots

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

Reshina, I. I.; Ivanov, S. V.; Toropov, A. A.

2013-12-04

Ensembles of Cd(Mn)Se/ZnSe and CdSe/Zn(Mn)Se semimagnetic self-organized quantum dots with different Mn content have been studied by photoluminescence and resonant Raman scattering under strong magnetic fields in Faraday and Voigt geometries and with spectral and polarization selective excitation. Electron spin-flip Raman scattering has been observed in Voigt geometry in the structures with large Mn content. Narrow exciton peaks completely σ{sup −}σ{sup +} polarized have been observed under selective excitation in Faraday geometry in the structures with medium and small Mn content. A number of specific effects manifested themselves in the structures with a smallest Mn content where no Zeeman shiftmore » of the photoluminescence bands was observed.« less

Structural basis of respiratory syncytial virus neutralization by motavizumab

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

McLellan, Jason S.; Chen, Man; Kim, Albert

2010-04-13

Motavizumab is {approx}tenfold more potent than its predecessor, palivizumab (Synagis), the FDA-approved monoclonal antibody used to prevent respiratory syncytial virus (RSV) infection. The structure of motavizumab in complex with a 24-residue peptide corresponding to its epitope on the RSV fusion (F) glycoprotein reveals the structural basis for this greater potency. Modeling suggests that motavizumab recognizes a different quaternary configuration of the F glycoprotein than that observed in a homologous structure.

A Study of Vehicle Structural Layouts in Post-WWII Aircraft

NASA Technical Reports Server (NTRS)

Sensmeier, Mark D.; Samareh, Jamshid A.

2004-01-01

In this paper, results of a study of structural layouts of post-WWII aircraft are presented. This study was undertaken to provide the background information necessary to determine typical layouts, design practices, and industry trends in aircraft structural design. Design decisions are often predicated not on performance-related criteria, but rather on such factors as manufacturability, maintenance access, and of course cost. For this reason, a thorough understanding of current best practices in the industry is required as an input for the design optimization process. To determine these best practices and industry trends, a large number of aircraft structural cutaway illustrations were analyzed for five different aircraft categories (commercial transport jets, business jets, combat jet aircraft, single engine propeller aircraft, and twin-engine propeller aircraft). Several aspects of wing design and fuselage design characteristics are presented here for the commercial transport and combat aircraft categories. A great deal of commonality was observed for transport structure designs over a range of eras and manufacturers. A much higher degree of variability in structural designs was observed for the combat aircraft, though some discernable trends were observed as well.

An Experimental and Computational Investigation into the Gas-Phase Acidities of Tyrosine and Phenylalanine: Three Structures for Deprotonated Tyrosine

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

Bokatzian, Samantha S.; Stover, Michele L.; Plummer, Chelsea E.

Using mass spectrometry and correlated molecular orbital theory, three deprotonated structures were revealed for the amino acid tyrosine. The structures were distinguished experimentally by ion/molecule reactions involving proton transfer and trimethylsilyl azide. Gas-phase acidities from proton transfer reactions and from G3(MP2) calculations generally agree well. The lowest energy structure, which was only observed experimentally using electrospray ionization from aprotic solvents, is deprotonated at the carboxylic acid group and is predicted to be highly folded. A second unfolded carboxylate structure is several kcal/mol higher in energy and primarily forms from protic solvents. Protic solvents also yield a structure deprotonated at themore » phenolic side chain, which experiments find to be intermediate in energy to the two carboxylate forms. G3(MP2) calculations indicate that the three structures differ in energy by only 2.5 kcal/mol, yet they are readily distinguished experimentally. Structural abundance ratios are dependent upon experimental conditions, including the solvent and accumulation time of ions in a hexapole. Under some conditions, carboxylate ions may convert to phenolate ions. For phenylalanine, which lacks a phenolic group, only one deprotonated structure was observed experimentally when electrosprayed from protic solvent. This agrees with G3(MP2) calculations that find the folded and unfolded carboxylate forms to differ by 0.3 kcal/mol.« less

Vibrational Study of Melatonin and its Radioprotective Activity towards Hydroxyl Radical

NASA Astrophysics Data System (ADS)

Singh, Gurpreet; Kaur, Sarvpreet; Saini, G. S. S.

2011-12-01

Vibrational study of Melatonin (N-acetyl 5-methoxytrypatamin) was done using FTIR and Raman spectroscopy. DFT calculations were employed to the structural analysis of melatonin and to the end products. The theoretical calculations confirmed the different observed vibrational modes. The optimized structure energy calculations of the different end products confirmed the most probable site of the hydroxyl radical attack is the hydrogen attached to nitrogen present in the indole ring.

Interpreting the adsorption of serum albumin and lactoglobulin onto ZnS nanopaticles: effect of conformational rigidity of the proteins.

PubMed

Saikia, Jiban; Saha, Bedabrata; Das, Gopal

2014-02-15

The work we have undertaken is to investigate the adsorption of two different proteins (BSA and BLG) having near same IEP and differing in their conformational flexibility, onto the surface of ZnS nanoparticles (ZnS NPs). BSA and BLG both have an IEP value around pH~5. BSA is more prone to conformational deformation and considered "soft" while BLG holds the conformational rigidity and considered as "hard" protein. To ascertain the differences in surface coverage and conformation of the protein onto ZnS surface (PZC ~ 3.7), we have evaluated the adsorption profile at pH 7, where the entire surface behaves negatively. An integrated approach was taken by incorporating zeta (ζ) potential, fluorescence and CD for analyzing the adsorption process. In both systems, an increase in protein surface coverage was observed with the increase in free protein concentration in the solution and ζ values approaching that of native protein at high surface coverage. An alteration in the tertiary structure was observed for both BSA and BLG. The CD spectra analysis reveals that the secondary structure of the BSA was more deviated from the native protein structure, accommodating the increased adsorption value. For BLG no such prominent structural alteration was observed. These findings help us to understand better, how adjustment of the protein adsorption amount can be achieved onto the surface of nanoparticles having like charges. Copyright © 2013 Elsevier Inc. All rights reserved.

Ethanol Dimer: Observation of Three New Conformers by Broadband Rotational Spectroscopy

NASA Astrophysics Data System (ADS)

Loru, Donatella; Peña, Isabel; Sanz, M. Eugenia

2017-06-01

The conformational behaviour of the hydrogen-bonded cluster ethanol dimer has been reinvestigated by chirped pulse Fourier transform microwave spectroscopy in the 2-8 GHz frequency region. Three new conformers ({tt}, {tg}+, and {g}-{g}+) have been identified together with the three ({g}+{g}+, {g}-{t}, and {g}+{t}) previously observed by Hearn et al. (J. Chem. Phys. 123, 134324, 2005) and their rotational and centrifugal distortion constants have been determined. By using different carrier gases in the supersonic expansion, the relative abundances of the observed conformers have been estimated. The monosubstituted ^{13}C species and some of the ^{18}O species of the most abundant conformers {g}+{g}+, {g}-{t}, and {tt} have been observed in their natural abundance, which led to the partial determination of their r_{s} structures, and the r_{0} structure for the {tt} conformer. The six observed conformers are stabilized by the delicate interplay of primary O-H...O and secondary C-H...O hydrogen bonds, and dispersion interactions between the methyl groups. Density functional and ab initio methods with different basis sets are benchmarked against the experimental data.

Gender Differences in Mathematics: Does the Story Need to Be Rewritten?

ERIC Educational Resources Information Center

Brunner, Martin; Krauss, Stefan; Kunter, Mareike

2008-01-01

Empirical studies of high school mathematics typically report small gender differences in favor of boys. The present article challenges this established finding by comparing two competing structural conceptions of mathematical ability. The standard model assumes mathematical ability alone to account for the interindividual differences observed on…

Development of methodology for identification the nature of the polyphenolic extracts by FTIR associated with multivariate analysis

NASA Astrophysics Data System (ADS)

Grasel, Fábio dos Santos; Ferrão, Marco Flôres; Wolf, Carlos Rodolfo

2016-01-01

Tannins are polyphenolic compounds of complex structures formed by secondary metabolism in several plants. These polyphenolic compounds have different applications, such as drugs, anti-corrosion agents, flocculants, and tanning agents. This study analyses six different type of polyphenolic extracts by Fourier transform infrared spectroscopy (FTIR) combined with multivariate analysis. Through both principal component analysis (PCA) and hierarchical cluster analysis (HCA), we observed well-defined separation between condensed (quebracho and black wattle) and hydrolysable (valonea, chestnut, myrobalan, and tara) tannins. For hydrolysable tannins, it was also possible to observe the formation of two different subgroups between samples of chestnut and valonea and between samples of tara and myrobalan. Among all samples analysed, the chestnut and valonea showed the greatest similarity, indicating that these extracts contain equivalent chemical compositions and structure and, therefore, similar properties.

Nucleation Process of a Fibril Precursor in the C-Terminal Segment of Amyloid-β

NASA Astrophysics Data System (ADS)

Baftizadeh, Fahimeh; Pietrucci, Fabio; Biarnés, Xevi; Laio, Alessandro

2013-04-01

By extended atomistic simulations in explicit solvent and bias-exchange metadynamics, we study the aggregation process of 18 chains of the C-terminal segment of amyloid-β, an intrinsically disordered protein involved in Alzheimer’s disease and prone to form fibrils. Starting from a disordered aggregate, we are able to observe the formation of an ordered nucleus rich in beta sheets. The rate limiting step in the nucleation pathway involves crossing a barrier of approximately 40kcal/mol and is associated with the formation of a very specific interdigitation of the side chains belonging to different sheets. This structural pattern is different from the one observed experimentally in a microcrystal of the same system, indicating that the structure of a “nascent” fibril may differ from the one of an “extended” fibril.

Strong population structure in the marine sponge Crambe crambe (Poecilosclerida) as revealed by microsatellite markers.

PubMed

Duran, S; Pascual, M; Estoup, A; Turon, X

2004-03-01

Different categories of molecular markers have been used so far to study the population structure of sponges. However, these markers often did not have the resolution power to address precisely questions on structuring processes, especially at the intrapopulational level. In this study we show that microsatellites fulfil these expectations, allowing a fine description of population structure at different geographical scales in the marine sponge Crambe crambe. Specimens were collected in 11 locations, representing most of the Atlanto-Mediterranean range of the species, and were analysed at six loci. As expected for a sessile invertebrate with lecitotrophic larvae, high levels of between-population structure were found (FST = 0.18) and a significant isolation-by-distance pattern was observed. A strong genetic structure was also found within sampled sites (FIS = 0.21) that may be explained by several factors including inbreeding, selfing and the Wahlund effect. In spite of a sampling design planned to avoid the sampling of clones, genotypically identical individuals for the six loci were found in some locations. The significance of these potential clones is discussed and their effect on the observed pattern of population structure assessed. Patterns of allelic distribution within populations suggest the possibility of a recent colonization of the Atlantic range from the Mediterranean Sea.

Structure of N-acetyl-[beta]-D-glucosaminidase (GcnA) from the Endocarditis Pathogen Streptococcus gordonii and its Complex with the Mechanism-based Inhibitor NAG-thiazoline

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

Langley, David B.; Harty, Derek W.S.; Jacques, Nicholas A.

2008-09-17

The crystal structure of GcnA, an N-acetyl-{beta}-D-glucosaminidase from Streptococcus gordonii, was solved by multiple wavelength anomalous dispersion phasing using crystals of selenomethionine-substituted protein. GcnA is a homodimer with subunits each comprised of three domains. The structure of the C-terminal {alpha}-helical domain has not been observed previously and forms a large dimerization interface. The fold of the N-terminal domain is observed in all structurally related glycosidases although its function is unknown. The central domain has a canonical ({beta}/{alpha}){sub 8} TIM-barrel fold which harbours the active site. The primary sequence and structure of this central domain identifies the enzyme as a familymore » 20 glycosidase. Key residues implicated in catalysis have different conformations in two different crystal forms, which probably represent active and inactive conformations of the enzyme. The catalytic mechanism for this class of glycoside hydrolase, where the substrate rather than the enzyme provides the cleavage-inducing nucleophile, has been confirmed by the structure of GcnA complexed with a putative reaction intermediate analogue, N-acetyl-{beta}-D-glucosamine-thiazoline. The catalytic mechanism is discussed in light of these and other family 20 structures.« less

Fourier transform infrared microspectroscopic analysis of the effects of cereal type and variety within a type of grain on structural makeup in relation to rumen degradation kinetics.

PubMed

Walker, Amanda M; Yu, Peiqiang; Christensen, Colleen R; Christensen, David A; McKinnon, John J

2009-08-12

The objectives of this study were to use Fourier transform infrared microspectroscopy (FTIRM) to determine structural makeup (features) of cereal grain endosperm tissue and to reveal and identify differences in protein and carbohydrate structural makeup between different cereal types (corn vs barley) and between different varieties within a grain (barley CDC Bold, CDC Dolly, Harrington, and Valier). Another objective was to investigate how these structural features relate to rumen degradation kinetics. The items assessed included (1) structural differences in protein amide I to nonstructural carbohydrate (NSC, starch) intensity and ratio within cellular dimensions; (2) molecular structural differences in the secondary structure profile of protein, alpha-helix, beta-sheet, and their ratio; (3) structural differences in NSC to amide I ratio profile. From the results, it was observed that (1) comparison between grain types [corn (cv. Pioneer 39P78) vs barley (cv. Harrington)] showed significant differences in structural makeup in terms of NSC, amide I to NSC ratio, and rumen degradation kinetics (degradation ratio, effective degradability of dry matter, protein and NSC) (P < 0.05); (2) comparison between varieties within a grain (barley varieties) also showed significant differences in structural makeup in terms of amide I, NSC, amide I to NSC ratio, alpha-helix and beta-sheet protein structures, and rumen degradation kinetics (effective degradability of dry matter, protein, and NSC) (P < 0.05); (3) correlation analysis showed that the amide I to NSC ratio was strongly correlated with rumen degradation kinetics in terms of the degradation rate (R = 0.91, P = 0.086) and effective degradability of dry matter (R = 0.93, P = 0.071). The results suggest that with the FTIRM technique, the structural makeup differences between cereal types and between different varieties within a type of grain could be revealed. These structural makeup differences were related to the rate and extent of rumen degradation.

Gut microbiome composition is associated with temperament during early childhood

PubMed Central

Christian, Lisa M.; Galley, Jeffrey D.; Hade, Erinn M.; Schoppe-Sullivan, Sarah; Kamp-Dush, Claire; Bailey, Michael T.

2014-01-01

Background Understanding the dynamics of the gut-brain axis has clinical implications for physical and mental health conditions, including obesity and anxiety. As such disorders have early life antecedents, it is of value to determine if associations between the gut microbiome and behavior are present in early life in humans. Methods We used next generation pyrosequencing to examine associations between the community structure of the gut microbiome and maternal ratings of child temperament in 77 children at 18-27 months of age. It was hypothesized that children would differ in their gut microbial structure, as indicated by measures of alpha and beta diversity, based on their temperamental characteristics. Results Among both boys and girls, greater Surgency/Extraversion was associated greater phylogenetic diversity. In addition, among boys only, subscales loading on this composite scale were associated with differences in phylogenetic diversity, the Shannon Diversity index (SDI), beta diversity, and differences in abundances of Dialister, Rikenellaceae, Ruminococcaceae, and Parabacteroides. In girls only, higher Effortful Control was associated with a lower SDI score and differences in both beta diversity and Rikenellaceae were observed in relation to Fear. Some differences in dietary patterns were observed in relation to temperament, but these did not account for the observed differences in the microbiome. Conclusions Differences in gut microbiome composition, including alpha diversity, beta diversity, and abundances of specific bacterial species, were observed in association with temperament in toddlers. This study was cross-sectional and observational and, therefore, does not permit determination of the causal direction of effects. However, if bidirectional brain-gut relationships are present in humans in early life, this may represent an opportunity for intervention relevant to physical as well as mental health disorders. PMID:25449582

An embedding structure of the cross-tail CSs and its relation to the ion composition according to MAVEN observations in the Martian magnetotai

NASA Astrophysics Data System (ADS)

Grigorenko, E. E.; Shuvalov, S. D.; Malova, H. V.; Zelenyi, L. M.

2017-12-01

The multilayered (embedded) Current Sheets (CS) are often observed in the Earth's magnetotail. Simulations based on quasi-adiabatic dynamics of different ion components showed that the observed embedding structures can be reconstructed by taking into account the net electric currents carried by ions with different masses and, thus, with different gyroradii. The last determines the spatial scales of the corresponding current layers. The embedding can be quantitatively described by the ratio of the magnetic field value at the edges of a thin embedded layer Bext to the value of the magnetic field outside a thick CS, B0. For the Earth's magnetotail it was shown that there is a relation between the Bext/B0 and the relative densities of heavy and light ion components. In the Martian magnetotail the embedding feature is also often observed in the cross-tail CS formed by the draping of the IMF field lines. The analysis of 100 CS crossings by MAVEN spacecraft showed that in the Martian magnetotail the relation between the embedding characteristics and ion composition is similar to the one observed in the Earth's magnetotail and the spatial scales of the embedded layers are defined by the gyroradii of the current carrying ion component.

Exploring the role of hand gestures in learning novel phoneme contrasts and vocabulary in a second language

PubMed Central

Kelly, Spencer D.; Hirata, Yukari; Manansala, Michael; Huang, Jessica

2014-01-01

Co-speech hand gestures are a type of multimodal input that has received relatively little attention in the context of second language learning. The present study explored the role that observing and producing different types of gestures plays in learning novel speech sounds and word meanings in an L2. Naïve English-speakers were taught two components of Japanese—novel phonemic vowel length contrasts and vocabulary items comprised of those contrasts—in one of four different gesture conditions: Syllable Observe, Syllable Produce, Mora Observe, and Mora Produce. Half of the gestures conveyed intuitive information about syllable structure, and the other half, unintuitive information about Japanese mora structure. Within each Syllable and Mora condition, half of the participants only observed the gestures that accompanied speech during training, and the other half also produced the gestures that they observed along with the speech. The main finding was that participants across all four conditions had similar outcomes in two different types of auditory identification tasks and a vocabulary test. The results suggest that hand gestures may not be well suited for learning novel phonetic distinctions at the syllable level within a word, and thus, gesture-speech integration may break down at the lowest levels of language processing and learning. PMID:25071646

Structure of Human Pancreatic Lipase-Related Protein 2 with the Lid in an Open Conformation

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

Eydoux, Cecilia; Spinelli, Silvia; Davis, Tara L.

2008-10-02

Access to the active site of pancreatic lipase (PL) is controlled by a surface loop, the lid, which normally undergoes conformational changes only upon addition of lipids or amphiphiles. Structures of PL with their lids in the open and functional conformation have required cocrystallization with amphiphiles. Here we report two crystal structures of wild-type and unglycosylated human pancreatic lipase-related protein 2 (HPLRP2) with the lid in an open conformation in the absence of amphiphiles. These structures solved independently are strikingly similar, with some residues of the lid being poorly defined in the electron-density map. The open conformation of the lidmore » is however different from that previously observed in classical liganded PL, suggesting different kinetic properties for HPLRP2. Here we show that the HPLRP2 is directly inhibited by E600, does not present interfacial activation, and acts preferentially on substrates forming monomers or small aggregates (micelles) dispersed in solution like monoglycerides, phospholipids and galactolipids, whereas classical PL displays reverse properties and a high specificity for unsoluble substrates like triglycerides and diglycerides forming oil-in-water interfaces. These biochemical properties imply that the lid of HPLRP2 is likely to spontaneously adopt in solution the open conformation observed in the crystal structure. This open conformation generates a large cavity capable of accommodating the digalactose polar head of galactolipids, similar to that previously observed in the active site of the guinea pig PLRP2, but absent from the classical PL. Most of the structural and kinetic properties of HPLRP2 were found to be different from those of rat PLRP2, the structure of which was previously obtained with the lid in a closed conformation. Our findings illustrate the essential role of the lid in determining the substrate specificity and the mechanism of action of lipases.« less

Self-organization of local magnetoplasma structures in the upper layers of the solar convection zone

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

Chumak, O. V., E-mail: chuo@yandex.ru

Self-organization and evolution of magnetoplasma structures in the upper layers of the solar convection zone are discussed as a process of diffuse aggregation of magnetic flux tubes. Equations describing the tube motion under the action of magnetic interaction forces, hydrodynamic forces, and random forces are written explicitly. The process of aggregation of magnetic flux tubes into magnetic flux clusters of different shapes and dimensions is simulated numerically. The obtained structures are compared with the observed morphological types of sunspot groups. The quantitative comparison with the observational data was performed by comparing the fractal dimensions of the photospheric magnetic structures observedmore » in solar active regions with those of structures obtained in the numerical experiment. The model has the following free parameters: the numbers of magnetic flux tubes with opposite polarities on the considered area element (Nn and Ns), the average radius of the cross section of the magnetic flux tube (a), its effective length (l), the twist factor of the tube field (k), and the absolute value of the average velocity of chaotic tube displacements (d). Variations in these parameters in physically reasonable limits leads to the formation of structures (tube clusters of different morphological types) having different fractal dimensions. Using the NOAA 10488 active region, which appeared and developed into a complicated configuration near the central meridian, as an example, it is shown that good quantitative agreement between the fractal dimensions is achieved at the following parameters of the model: Nn = Ns = 250 ± 50; a = 150 ± 50 km; l ∼ 5000 km, and d = 80 ± 10 m/s. These results do not contradict the observational data and theoretical estimates obtained in the framework of the Parker “spaghetti” model and provide new information on the physical processes resulting in the origin and evolution of local magnetic plasma structures in the near-photospheric layers of the solar convection zone.« less

Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation.

PubMed

Eydoux, Cécilia; Spinelli, Silvia; Davis, Tara L; Walker, John R; Seitova, Alma; Dhe-Paganon, Sirano; De Caro, Alain; Cambillau, Christian; Carrière, Frédéric

2008-09-09

Access to the active site of pancreatic lipase (PL) is controlled by a surface loop, the lid, which normally undergoes conformational changes only upon addition of lipids or amphiphiles. Structures of PL with their lids in the open and functional conformation have required cocrystallization with amphiphiles. Here we report two crystal structures of wild-type and unglycosylated human pancreatic lipase-related protein 2 (HPLRP2) with the lid in an open conformation in the absence of amphiphiles. These structures solved independently are strikingly similar, with some residues of the lid being poorly defined in the electron-density map. The open conformation of the lid is however different from that previously observed in classical liganded PL, suggesting different kinetic properties for HPLRP2. Here we show that the HPLRP2 is directly inhibited by E600, does not present interfacial activation, and acts preferentially on substrates forming monomers or small aggregates (micelles) dispersed in solution like monoglycerides, phospholipids and galactolipids, whereas classical PL displays reverse properties and a high specificity for unsoluble substrates like triglycerides and diglycerides forming oil-in-water interfaces. These biochemical properties imply that the lid of HPLRP2 is likely to spontaneously adopt in solution the open conformation observed in the crystal structure. This open conformation generates a large cavity capable of accommodating the digalactose polar head of galactolipids, similar to that previously observed in the active site of the guinea pig PLRP2, but absent from the classical PL. Most of the structural and kinetic properties of HPLRP2 were found to be different from those of rat PLRP2, the structure of which was previously obtained with the lid in a closed conformation. Our findings illustrate the essential role of the lid in determining the substrate specificity and the mechanism of action of lipases.

X-ray-induced catalytic active-site reduction of a multicopper oxidase: structural insights into the proton-relay mechanism and O 2 -reduction states

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

Serrano-Posada, Hugo; Centeno-Leija, Sara; Rojas-Trejo, Sonia Patricia

2015-11-26

During X-ray data collection from a multicopper oxidase (MCO) crystal, electrons and protons are mainly released into the system by the radiolysis of water molecules, leading to the X-ray-induced reduction of O 2 to 2H 2O at the trinuclear copper cluster (TNC) of the enzyme. In this work, 12 crystallographic structures of Thermus thermophilus HB27 multicopper oxidase (Tth-MCO) in holo, apo and Hg-bound forms and with different X-ray absorbed doses have been determined. In holo Tth -MCO structures with four Cu atoms, the proton-donor residue Glu451 involved in O 2 reduction was found in a double conformation: Glu451a (~7 Åmore » from the TNC) and Glu451b (~4.5 Å from the TNC). A positive peak of electron density above 3.5σ in anF o-F c map for Glu451a O ε2 indicates the presence of a carboxyl functional group at the side chain, while its significant absence in Glu451b strongly suggests a carboxylate functional group. In contrast, for apo Tth -MCO and in Hg-bound structures neither the positive peak nor double conformations were observed. Together, these observations provide the first structural evidence for a proton-relay mechanism in the MCO family and also support previous studies indicating that Asp106 does not provide protons for this mechanism. In addition, eight composite structures (Tth -MCO-C1–8) with different X-ray-absorbed doses allowed the observation of different O 2-reduction states, and a total depletion of T2Cu at doses higher than 0.2 MGy showed the high susceptibility of this Cu atom to radiation damage, highlighting the importance of taking radiation effects into account in biochemical interpretations of an MCO structure.« less

Striatal and Hippocampal Atrophy in Idiopathic Parkinson's Disease Patients without Dementia: A Morphometric Analysis.

PubMed

Tanner, Jared J; McFarland, Nikolaus R; Price, Catherine C

2017-01-01

Analyses of subcortical gray structure volumes in non-demented idiopathic Parkinson's disease (PD) often, but not always, show volume loss of the putamen, caudate nucleus, nucleus accumbens, and hippocampus. There is building evidence that structure morphometry might be more sensitive to disease-related processes than volume. To assess morphometric differences of subcortical structures (putamen, caudate nucleus, thalamus, globus pallidus, nucleus accumbens, and amygdala) as well as the hippocampus in non-demented individuals with PD relative to age and education matched non-PD peers. Prospective recruitment of idiopathic no-dementia PD and non-PD peers as part of a federally funded investigation. T1-weighted isovoxel metrics acquired via 3-T Siemens Verio for all individuals [PD n  = 72 (left side onset n  = 27, right side onset n  = 45); non-PD n  = 48]. FIRST (FMRIB Software Library) applications provided volumetric and vertex analyses on group differences for structure size and morphometry. Group volume differences were observed only for putamen and hippocampi (PD < non-PD) with hippocampal volume significantly associating with disease duration. Group shape differences were observed for bilateral putamen, caudate nucleus, and hippocampus with greater striatal atrophy contralateral to side of motor symptom onset. Hippocampal shape differences disappeared when removing the effects of volume. The putamen was the primary structure to show both volume and shape differences in PD, indicating that the putamen is the predominant site of basal ganglia atrophy in early- to mid-stage PD. Side of PD symptom onset associates with contralateral striatal atrophy. Left-onset PD might experience more extensive striatal atrophy than right-onset PD. Hippocampus morphometric results suggest possible primary atrophy of CA3/4 and dentate gyrus.

Canopy transpiration for two Japanese cypress forests with contrasting structures

NASA Astrophysics Data System (ADS)

Tsuruta, K.; Komatsu, H.; Kume, T.; Shinohara, Y.; Otsuki, K.

2012-12-01

Canopy transpiration (EC) could have large variations among stands with different structures. To evaluate a difference in EC between stands with different structures for Japanese cypress, we observed EC using the sap flow technique in two stands with contrasting structures (age was 19 year and 99 year, mean diameter at breast height was 13.5 cm and 44.6 cm, stem density was 2100 trees ha-1 and 350 trees ha-1, respectively) for 5 months under the same meteorological condition. The mean stand sap flux density (JS) for measurement period and stand sapwood area (AS_stand) for the old stand (0.43 m3 m-2 day-1 and 15.2 m2 ha-1) were lower than those for the young stand (0.62 m3 m-2 day-1 and 20.4 m2 ha-1) by 31.1 % and 25.4 %, respectively. EC is calculated as a product of JS and AS_stand. Therefore the EC in the old stand was lower than that in the young stand by 50 %. We calculated the contribution of the reference JS for a given meteorological conditions (JSref) and the response of JS to the meteorological conditions (JSresp) in the two stands, and examined which is a primary factor for the difference of EC between the two studied stands. The JSresp for the young stand were not considerably different from that for the old stand, whereas JSref for the young stand was greater than that for the old stand. This indicates that JSref (not JSresp) was the primary cause for the difference of EC between the two stands. Further studies observing EC from stands with various structures are needed to generalize our conclusions.

Structural Correlates of Antibodies Associated with Acute Reversal of Amyloid β-related Behavioral Deficits in a Mouse Model of Alzheimer Disease

PubMed Central

Basi, Guriqbal S.; Feinberg, Hadar; Oshidari, Farshid; Anderson, John; Barbour, Robin; Baker, Jeanne; Comery, Thomas A.; Diep, Linnea; Gill, Davinder; Johnson-Wood, Kelly; Goel, Amita; Grantcharova, Katerina; Lee, Mike; Li, Jingzhi; Partridge, Anthony; Griswold-Prenner, Irene; Piot, Nicolas; Walker, Don; Widom, Angela; Pangalos, Menelas N.; Seubert, Peter; Jacobsen, J. Steven; Schenk, Dale; Weis, William I.

2010-01-01

Immunotherapy targeting of amyloid β (Aβ) peptide in transgenic mouse models of Alzheimer disease (AD) has been widely demonstrated to resolve amyloid deposition as well as associated neuronal, glial, and inflammatory pathologies. These successes have provided the basis for ongoing clinical trials of immunotherapy for treatment of AD in humans. Acute as well as chronic Aβ-targeted immunotherapy has also been demonstrated to reverse Aβ-related behavioral deficits assessing memory in AD transgenic mouse models. We observe that three antibodies targeting the same linear epitope of Aβ, Aβ3–7, differ in their ability to reverse contextual fear deficits in Tg2576 mice in an acute testing paradigm. Reversal of contextual fear deficit by the antibodies does not correlate with in vitro recognition of Aβ in a consistent or correlative manner. To better define differences in antigen recognition at the atomic level, we determined crystal structures of Fab fragments in complex with Aβ. The conformation of the Aβ peptide recognized by all three antibodies was highly related and is also remarkably similar to that observed in independently reported Aβ:antibody crystal structures. Sequence and structural differences between the antibodies, particularly in CDR3 of the heavy chain variable region, are proposed to account for differing in vivo properties of the antibodies under study. These findings provide a structural basis for immunotherapeutic strategies targeting Aβ species postulated to underlie cognitive deficits in AD. PMID:19923222

Lateral Interactions in Monolayer Thick Mercury Films

NASA Astrophysics Data System (ADS)

Kime, Yolanda Jan

An understanding of lateral adatom-adatom interactions is often an important part of understanding electronic structure and adsorption energetics in monolayer thick films. In this dissertation I use angle-resolved photoemission and thermal desorption spectroscopies to explore the relationship between the adatom-adatom interaction and other characteristics of the adlayer, such as electronic structure, defects, or coexistent structural phases in the adlayer. Since Hg binds weakly to many substrates, the lateral interactions are often a major contribution to the dynamics of the overlayer. Hg adlayer systems are thus ideal for probing lateral interactions. The electronic structures of Hg adlayers on Ag(100), Cu(100), and Cu_3Au(100) are studied with angle-resolved ultraviolet photoemission. The Hg atomic 5d_{5/2} electronic band is observed to split into two levels following adsorption onto some surfaces. The energetic splitting of the Hg 5d_{5/2} level is found to be directly correlated to the adlayer homogeneous strain energy. The existence of the split off level also depends on the order or disorder of the Hg adlayer. The energetics of Hg adsorption on Cu(100) are probed using thermal desorption spectroscopy. Two different ordered adlayer structures are observed for Hg adsorption on Cu(100) at 200 K. Under some adsorption conditions and over a range of exposures, the two phases are seen to coexist on the surface prior to the thermal desorption process. A phase transition from the more dense to the less dense phase is observed to occur during the thermal desorption process. Inherent differences in defect densities are responsible for the observed differences between lateral interactions measured previously with equilibrium (atom beam scattering) and as measured by the non-equilibrium (thermal desorption) technique reported here. Theoretical and experimental evidence for an indirect through-metal interaction between adatoms is also discussed. Although through-metal interactions may play a role in some adsorption systems, there is little compelling evidence that this effect is significant in many experimental reports where the through metal bond is invoked.

Kinematics and the origin of the internal structures in HL Tauri jet (HH 151)

NASA Astrophysics Data System (ADS)

Movsessian, T. A.; Magakian, T. Yu.; Moiseev, A. V.

2012-05-01

Context. Knotty structures of Herbig-Haro jets are common phenomena, and knowing the origin of these structures is essential for understanding the processes of jet formation. Basically, there are two theoretical approaches: different types of instabilities in stationary flow, and velocity variations in the flow. Aims: We investigate the structures with different radial velocities in the knots of the HL Tau jet as well as its unusual behaviour starting from 20'' from the source. Collation of radial velocity data with proper motion measurements of emission structures in the jet of HL Tau makes it possible to understand the origin of these structures and decide on the mechanism for the formation of the knotty structures in Herbig-Haro flows. Methods: We present observations obtained with a 6 m telescope (Russia) using the SCORPIO camera with scanning Fabry-Perót interferometer. Two epochs of the observations of the HL/XZ Tau region in Hα emission (2001 and 2007) allowed us to measure proper motions for high and low radial velocity structures. Results: The structures with low and high radial velocities in the HL Tau jet show the same proper motion. The point where the HL Tau jet bents to the north (it coincides with the trailing edge of so-called knot A) is stationary, i.e. does not have any perceptible proper motion and is visible in Hα emission only. Conclusions: We conclude that the high- and low-velocity structures in the HL Tau jet represent bow-shocks and Mach disks in the internal working surfaces of episodic outflows. The bend of the jet and the brightness increase starting some distance from the source coincides with the observed stationary deflecting shock. The increase of relative surface brightness of bow-shocks could be the result of the abrupt change of the physical conditions of the ambient medium as well as the interaction of a highly collimated flow and the side wind from XZ Tau. Based on observations collected with the 6 m telescope of the Special Astrophysical Observatory (SAO) of the Russian Academy of Sciences (RAS), operated under the financial support of the Science Department of Russia (registration number 01-43).

Multidetector Scattering as a Probe of Local Structure in Disordered Phases

NASA Astrophysics Data System (ADS)

Clark, Noel A.; Ackerson, Bruce J.; Hurd, Alan J.

1983-05-01

The local translational structure of a two-dimensional colloidal liquid is observed by use of cross correlation of the intensity fluctuations of light scattered by the liquid through two different wave vectors. The utility of multidetector scattering in probing multipoint correlations in disordered phases is thereby demonstrated unambiguously.

Tailoring physical properties of transglutaminase-modified gelatin films by varying drying temperature

USDA-ARS?s Scientific Manuscript database

Gelatin films prepared with or without transglutaminase (TGase) and dried at 15, 25 and 35 °C were analyzed for polymeric network structure, chemical composition and physical properties. Differences in protein network structure were observed by optical microscopy analysis in freeze-dried film-formin...

Structural differences in the bacterial flagellar motor among bacterial species.

PubMed

Terashima, Hiroyuki; Kawamoto, Akihiro; Morimoto, Yusuke V; Imada, Katsumi; Minamino, Tohru

2017-01-01

The bacterial flagellum is a supramolecular motility machine consisting of the basal body as a rotary motor, the hook as a universal joint, and the filament as a helical propeller. Intact structures of the bacterial flagella have been observed for different bacterial species by electron cryotomography and subtomogram averaging. The core structures of the basal body consisting of the C ring, the MS ring, the rod and the protein export apparatus, and their organization are well conserved, but novel and divergent structures have also been visualized to surround the conserved structure of the basal body. This suggests that the flagellar motors have adapted to function in various environments where bacteria live and survive. In this review, we will summarize our current findings on the divergent structures of the bacterial flagellar motor.

Interstellar scintillation observations for PSR B0355+54

NASA Astrophysics Data System (ADS)

Xu, Y. H.; Lee, K. J.; Hao, L. F.; Wang, H. G.; Liu, Z. Y.; Yue, Y. L.; Yuan, J. P.; Li, Z. X.; Wang, M.; Dong, J.; Tan, J. J.; Chen, W.; Bai, J. M.

2018-06-01

In this paper, we report our investigation of pulsar scintillation phenomena by monitoring PSR B0355+54 at 2.25 GHz for three successive months using the Kunming 40-m radio telescope. We measured the dynamic spectrum, the two-dimensional correlation function and the secondary spectrum. These observations have a high signal-to-noise ratio (S/N ≥ 100). We detected scintillation arcs, which are rarely observable using such a small telescope. The sub-microsecond scale width of the scintillation arc indicates that the transverse scale of the structures on the scattering screen is as compact as astronomical unit size. Our monitoring shows that the scintillation bandwidth, the time-scale and the arc curvature of PSR B0355+54 were varying temporally. A plausible explanation would need to invoke a multiple-scattering-screen or multiple-scattering-structure scenario, in which different screens or ray paths dominate the scintillation process at different epochs.

A concentrated electrolyte for zinc hexacyanoferrate electrodes in aqueous rechargeable zinc-ion batteries

NASA Astrophysics Data System (ADS)

Kim, D.; Lee, C.; Jeong, S.

2018-01-01

In this study, a concentrated electrolyte was applied in an aqueous rechargeable zinc-ion battery system with a zinc hexacyanoferrate (ZnHCF) electrode to improve the electrochemical performance by changing the hydration number of the zinc ions. To optimize the active material, ZnHCF was synthesized using aqueous solutions of zinc nitrate with three different concentrations. The synthesized materials exhibited some differences in structure, crystallinity, and particle size, as observed by X-ray diffraction and scanning electron microscopy. Subsequently, these well-structured materials were applied in electrochemical tests. A more than two-fold improvement in the charge/discharge capacities was observed when the concentrated electrolyte was used instead of the dilute electrolyte. Additionally, the cycling performance observed in the concentrated electrolyte was superior to that in the dilute electrolyte. This improvement in the electrochemical performance may result from a decrease in the hydration number of the zinc ions in the concentrated electrolyte.

Microwave properties of Ni-based ferromagnetic inverse opals

NASA Astrophysics Data System (ADS)

Kostylev, M.; Stashkevich, A. A.; Roussigné, Y.; Grigoryeva, N. A.; Mistonov, A. A.; Menzel, D.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Lukashin, A. V.; Grigoriev, S. V.; Samarin, S. N.

2012-11-01

Investigations of microwave properties of Ni-based inverse ferromagnetic opal-like film with the [111] axis of the fcc structure along the normal direction to the film have been carried out in the 2-18 GHz frequency band. We observed multiple spin wave resonances for the magnetic field applied perpendicular to the film, i.e., along the [111] axis of this artificial crystal. For the field applied in the film plane, a broad band of microwave absorption is observed, which does not contain a fine structure. The field ranges of the responses observed are quite different for these two magnetization directions. This suggests a collective magnetic ground state or shape anisotropy and collective microwave dynamics for this foam-like material. This result is in agreement with SQUID measurements of hysteresis loops for the material. Two different models for this collective behavior are suggested that satisfactorily explain the major experimental results.

Inner Core Imaging Using P'P'

NASA Astrophysics Data System (ADS)

Day, E. A.; Ward, J. A.; Bastow, I. D.; Irving, J. C. E.

2016-12-01

The Earth's inner core is a surprisingly complex region of our planet. Simple models of inner core solidification and evolution would lead us to expect a layered structure, which has "frozen in" in information about the state of the core at the time of solidification. However, seismic observations of Earth's inner core are not dominated by a radial "tree-ring" like pattern, but instead have revealed a hemispherical dichotomy in addition to depth dependent variations. There is a degree-one structure in isotropic and anisotropic velocities and in attenuation between the so-called eastern and western hemispheres of the inner core, with different depth distributions proposed for these varying phenomena. A range of mechanisms have been proposed to explain the hemispherical differences. These include models that require differences between the two hemispheres at the time of formation, post-solidification texturing, convection in the inner core, or hybrid mechanisms. Regional observations of the inner core suggest that a simple division between East and West may not be able to fully capture the structure present in the inner core. More detailed seismic observations will help us to understand the puzzle of the inner core's evolution. In this study we focus on updating observations of the seismic phase P'P', an inner core sensitive body wave with a more complex path than those typically used to study the inner core. By making new measurements of P'P' we illuminate new regions of the core with a high frequency phase that is sensitive to small scale structures. We examine the differential travel times of the different branches of P'P' (PKIKPPKIKP and PKPPKP), comparing the arrival time of inner core turning branch, P'P'df, with the arrival times of branches that turn in the outer core. P'P' is a relatively small amplitude phase, so we use both linear and non-linear stacking methods to make observations of the P'P' signals. These measurements are sensitive to the broad scale hemispherical pattern of anisotropy in the inner core as well as smaller scale variations.

Structural control of co-continuous poly(L-lactide)/poly(butylene succinate)/clay nanocomposites.

PubMed

Zhao, Li; Li, Yongjin; Shimizu, Hiroshi

2009-04-01

Poly(L-lactide) (PLLA)/poly(butylene succinate) (PBS) (55/45 w/w) blends with different amounts of nanoclay loadings were prepared using a specially designed high-shear extruder, HSE3000mini, which can reach a maximum shear rate of 4400 sec(-1). The resulted co-continuous structural morphologies were observed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). SEM observation revealed that through the combination of various amounts of nanoclay loadings and processing under various shear conditions, the phase size of co-continuous structures of PLLA/PBS blends can be controlled over a wide range from several tens of micrometers to submicrometers. TEM observation shows that all the nanoclays are selectively dispersed in the PBS phase. We also found that clays in low-shear processed sample were mainly located at the interface of PBS phase, while in high-shear sample, the clays were mainly located inside of the PBS phase. It was considered that the dependence of nanoclay location in the PBS phase on the shear conditions, as well as the changing of the viscosity ratio of PBS and PLLA phase with different amounts of clay loading, play important roles in controlling the phase size of the co-continuous structures of PLLA/PBS blends.

Strain rate dependent calcite microfabric evolution - an experiment carried out by nature

NASA Astrophysics Data System (ADS)

Rogowitz, A.; Huet, B.; Grasemann, B.; Habler, G.

2013-12-01

The deformation behaviour of calcite has been studied extensively in a number of experiments. Different strain rates and pressure and temperature conditions have been used to investigate a wide range of deformation regimes. However, a direct comparison with natural fault rocks remains difficult because of extreme differences between experimental and natural strain rates. A secondary shear zone (flanking structure) developed in almost pure calcite marble on Syros (Greece). Due to rotation of an elliptical inclusion (crack) a heterogeneous strain field in the surrounding area occurred resulting in different strain domains and the formation of the flanking structure. Assuming that deformation was active continuously during the development of the flanking structure, the different strain domains correspond to different strain-rate domains. The outcrop thus represents the final state of a natural experiment and gives us a great opportunity to get natural constraints on strain rate dependent deformation behaviour of calcite. Comparing the microfabrics in the 1 to 2.5 cm thick shear zone and the surrounding host rocks, which formed under the same metamorphic conditions but with different strain rates, is the central focus of this study. Due to the extreme variation in strain and strain rate, different microstructures and textures can be observed corresponding to different deformation mechanisms. With increasing strain rate we observe a change in dominant deformation mechanism from dislocation glide to dislocation creep and finally diffusion creep. Additionally, a change from subgrain rotation (SGR) to bulging (BLG) recrystallization can be observed in the dislocation creep regime. Textures and the degree of intracrystalline deformation have been measured by electron back scatter diffraction (EBSD). At all strain rates clear CPOs developed leading to the assumption that calcite preferentially deforms within the dislocation creep field. However, we can also find clear evidence for grain size sensitive deformation mechanisms at smaller grain sizes (3.6 μm) consistent with experimental observations and determined flaw laws. Although mylonitic layers evolve at high (10^-10 s^-1) and intermediate strain rates (10^-11 s^-1) by SGR recrystallization we observe variations in texture leading to the assumption that at varying strain rates different gliding systems were active. The results of this study are compared with experimental data, closing the gap between experimental and natural geological strain rates.

Detection of amide I signals of interfacial proteins in situ using SFG.

PubMed

Wang, Jie; Even, Mark A; Chen, Xiaoyun; Schmaier, Alvin H; Waite, J Herbert; Chen, Zhan

2003-08-20

In this Communication, we demonstrate the novel observation that it is feasible to collect amide signals from polymer/protein solution interfaces in situ using sum frequency generation (SFG) vibrational spectroscopy. Such SFG amide signals allow for acquisition of more detailed molecular level information of entire interfacial protein structures. Proteins investigated include bovine serum albumin, mussel protein mefp-2, factor XIIa, and ubiquitin. Our studies indicate that different proteins generate different SFG amide signals at the polystyrene/protein solution interface, showing that they have different interfacial coverage, secondary structure, or orientation.

Sequence Determinants of Compaction in Intrinsically Disordered Proteins

PubMed Central

Marsh, Joseph A.; Forman-Kay, Julie D.

2010-01-01

Abstract Intrinsically disordered proteins (IDPs), which lack folded structure and are disordered under nondenaturing conditions, have been shown to perform important functions in a large number of cellular processes. These proteins have interesting structural properties that deviate from the random-coil-like behavior exhibited by chemically denatured proteins. In particular, IDPs are often observed to exhibit significant compaction. In this study, we have analyzed the hydrodynamic radii of a number of IDPs to investigate the sequence determinants of this compaction. Net charge and proline content are observed to be strongly correlated with increased hydrodynamic radii, suggesting that these are the dominant contributors to compaction. Hydrophobicity and secondary structure, on the other hand, appear to have negligible effects on compaction, which implies that the determinants of structure in folded and intrinsically disordered proteins are profoundly different. Finally, we observe that polyhistidine tags seem to increase IDP compaction, which suggests that these tags have significant perturbing effects and thus should be removed before any structural characterizations of IDPs. Using the relationships observed in this analysis, we have developed a sequence-based predictor of hydrodynamic radius for IDPs that shows substantial improvement over a simple model based upon chain length alone. PMID:20483348

Structure and properties of B20Si-/0/+ clusters

NASA Astrophysics Data System (ADS)

Lu, Qi Liang; Luo, Qi Quan; Li, Yi De; Huang, Shou Guo

2018-06-01

A global search for the lowest energy structure of B20Si-, B20Si0 and B20Si+ clusters is conducted. Structural transitions at different charge states are observed. B20Si- is a 2D planar configuration with no polygonal holes, and Si atom occupies a peripheral position. B20Si+ adopts a 3D tubular shape, and each Si is bonded with four B atoms. But for B20Si0, competition among quasi-planar, tubular and cage like structures is found. These structures differ greatly from that of pure B21 - cluster. The structural transition may result from changes in the framework of bonding, sp 2 hybridization, and structural mechanics. Some of the clusters' properties including frontier molecular orbital, on-site charge on Si atom, electron density, and magnetism are also discussed.

Structural model of the open–closed–inactivated cycle of prokaryotic voltage-gated sodium channels

PubMed Central

Bagnéris, Claire; Naylor, Claire E.; McCusker, Emily C.

2015-01-01

In excitable cells, the initiation of the action potential results from the opening of voltage-gated sodium channels. These channels undergo a series of conformational changes between open, closed, and inactivated states. Many models have been proposed for the structural transitions that result in these different functional states. Here, we compare the crystal structures of prokaryotic sodium channels captured in the different conformational forms and use them as the basis for examining molecular models for the activation, slow inactivation, and recovery processes. We compare structural similarities and differences in the pore domains, specifically in the transmembrane helices, the constrictions within the pore cavity, the activation gate at the cytoplasmic end of the last transmembrane helix, the C-terminal domain, and the selectivity filter. We discuss the observed differences in the context of previous models for opening, closing, and inactivation, and present a new structure-based model for the functional transitions. Our proposed prokaryotic channel activation mechanism is then compared with the activation transition in eukaryotic sodium channels. PMID:25512599

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

Petkov, Valeri; Hessel, Colin M.; Ovtchinnikoff, Justine

High-energy synchrotron X-ray diffraction coupled to atomic pair distribution function analysis and computer simulations is used to determine the atomic-scale structure of silicon (Si) nanoparticles obtained by two different synthetic routes. Results show that Si nanoparticles may have significant structural differences depending on the synthesis route and surface chemistry. In this case, one method produced Si nanoparticles that are highly crystalline but surface oxidized, whereas a different method yields organic ligand-passivated nanoparticles without surface oxide but that are structurally distorted at the atomic scale. Particular structural features of the oxide-free Si nanoparticles such as average first coordination numbers, length ofmore » structural coherence, and degree of local distortions are compared to their optical properties such as photoluminescence emission energy, quantum yield, and Raman spectra. A clear structure–properties correlation is observed indicating that the former may need to be taken into account when considering the latter.« less

Exploring the fine structure at the limb in coronal holes

NASA Technical Reports Server (NTRS)

Karovska, Magarita; Blundell, Solon F.; Habbal, Shadia Rifai

1994-01-01

The fine structure of the solar limb in coronal holes is explored at temperatures ranging from 10(exp 4) to 10(exp 6) K. An image enhancement algorithm orignally developed for solar eclipse observations is applied to a number of simultaneous multiwavelength observations made with the Harvard Extreme Ultraviolet Spectrometer experiment on Skylab. The enhanced images reveal the presence of filamentary structures above the limb with a characteristic separation of approximately 10 to 15 sec . Some of the structures extend from the solar limb into the corona to at least 4 min above the solar limb. The brightness of these structures changes as a function of height above the limb. The brightest emission is associated with spiculelike structures in the proximity of the limb. The emission characteristic of high-temperature plasma is not cospatial with the emission at lower temperatures, indicating the presence of different temperature plasmas in the field of view.

Atomic scale simulations of vapor cooled carbon clusters

NASA Astrophysics Data System (ADS)

Bogana, M. P.; Colombo, L.

2007-03-01

By means of atomistic simulations we observed the formation of many topologically non-equivalent carbon clusters formed by the condensation of liquid droplets, including: (i) standard fullerenes and onion-like structures, (ii) clusters showing extremely complex surfaces with both positive and negative curvatures and (iii) complex endohedral structures. In this work we offer a thorough structural characterization of the above systems, as well as an attempt to correlate the resulting structure to the actual protocol of growth. The IR and Raman responses of some exotic linear carbon structures have been further investigated, finding good agreement with experimental evidence of carbinoid structures in cluster-assembled films. Towards the aim of fully understanding the process of cluster-to-cluster coalescence dynamics, we further simulated an aerosol of amorphous carbon clusters at controlled temperatures. Various annealing temperatures and times have been observed, identifying different pathways for cluster ripening, ranging from simple coalescence to extensive reconstruction.

Observation of the Central Part of the Beta-Pictoris Disk with an Anti-Blooming CCD

NASA Astrophysics Data System (ADS)

Lecavelier Des Etangs, A.; Perrin, G.; Ferlet, R.; Vidal Madjar, A.; Colas, F.; Buil, C.; Sevre, F.; Arlot, J. E.; Beust, H.; Lagrange Henri, A. M.; Lecacheux, J.; Deleuil, M.; Gry, C.

1993-07-01

β Pictoris (A5V) possesses a circumstellar disk of gas and dust which is oriented edge-on to Earth. Possibly a planet may be indirectly responsible for spectroscopic events, presently interpreted as the signature of the vaporisation of comet-like bodies when grazing the star, and may have cleared up dust particles in the inner zone. Previous coronographic studies coupled with IRAS and ground based IR observations also seem to indicate that the inner regions of the disk may be possibly dust free. We have extended the coronographic studies closer to the star in order to directly observe this zone, through a different observational technique based on the use of an anti- blooming CCD. These new observations, recorded at La Silla (Chile), revealed the structure of the disk down to two arcsec from the star (30 AU from the star). A different nature of dust particles seems to be present in the inner regions of the disk, in possible relation with a planetary formation process. Also an inverted asymmetry is observed in the inner region of the disk when compared to the outer one, a structure possibly related to a non homogeneous distribution of the dust within the disk.

Observation of Three-Dimensional Magnetic Reconnection in the Terrestrial Magnetotail

NASA Astrophysics Data System (ADS)

Zhou, Meng; Ashour-Abdalla, Maha; Deng, Xiaohua; Pang, Ye; Fu, Huishan; Walker, Raymond; Lapenta, Giovanni; Huang, Shiyong; Xu, Xiaojun; Tang, Rongxin

2017-09-01

Study of magnetic reconnection has been focused on two-dimensional geometry in the past decades, whereas three-dimensional structures and dynamics of reconnection X line are poorly understood. In this paper, we report Cluster multispacecraft observations of a three-dimensional magnetic reconnection X line with a weak guide field ( 25% of the upstream magnetic field) in the Earth's magnetotail. We find that the X line not only retreated tailward but also expanded across the tail following the electron flow direction with a maximum average speed of (0.04-0.15) VA,up, where VA,up is the upstream Alfvén speed, or (0.14-0.57) Vde, where Vde is the electron flow speed in the out-of-plane direction. An ion diffusion region was observed by two spacecraft that were separated about 10 ion inertial lengths along the out-of-plane direction; however, these two spacecraft observed distinct magnetic structures associated with reconnection: one spacecraft observed dipolarization fronts, while the other one observed flux ropes. This indicates that reconnection proceeds in drastically different ways in different segments along the X line only a few ion inertial lengths apart.

Predator-guided sampling reveals biotic structure in the bathypelagic.

PubMed

Benoit-Bird, Kelly J; Southall, Brandon L; Moline, Mark A

2016-02-24

We targeted a habitat used differentially by deep-diving, air-breathing predators to empirically sample their prey's distributions off southern California. Fine-scale measurements of the spatial variability of potential prey animals from the surface to 1,200 m were obtained using conventional fisheries echosounders aboard a surface ship and uniquely integrated into a deep-diving autonomous vehicle. Significant spatial variability in the size, composition, total biomass, and spatial organization of biota was evident over all spatial scales examined and was consistent with the general distribution patterns of foraging Cuvier's beaked whales (Ziphius cavirostris) observed in separate studies. Striking differences found in prey characteristics between regions at depth, however, did not reflect differences observed in surface layers. These differences in deep pelagic structure horizontally and relative to surface structure, absent clear physical differences, change our long-held views of this habitat as uniform. The revelation that animals deep in the water column are so spatially heterogeneous at scales from 10 m to 50 km critically affects our understanding of the processes driving predator-prey interactions, energy transfer, biogeochemical cycling, and other ecological processes in the deep sea, and the connections between the productive surface mixed layer and the deep-water column. © 2016 The Author(s).

Photoionisation modelling of the broad line region

NASA Astrophysics Data System (ADS)

King, Anthea

2016-08-01

Two of the most fundamental questions regarding the broad line region (BLR) are "what is its structure?" and "how is it moving?" Baldwin et al. (1995) showed that by summing over an ensemble of clouds at differing densities and distances from the ionising source we can easily and naturally produce a spectrum similar to what is observed for AGN. This approach is called the `locally optimally emitting clouds' (LOC) model. This approach can also explain the well-observed stratification of emission lines in the BLR (e.g. Clavel et al. 1991, Peterson et al. 1991, Kollatschny et al. 2001) and `breathing' of BLR with changes in the continuum luminosity (Netzer & Mor 1990, Peterson et al. 2014) and is therefore a generally accepted model of the BLR. However, LOC predictions require some assumptions to be made about the distribution of the clouds within the BLR. By comparing photoionization predictions, for a distribution of cloud properties, with observed spectra we can infer something about the structure of the BLR and distribution of clouds. I use existing reverberation mapping data to constrain the structure of the BLR by observing how individual line strengths and ratios of different lines change in high and low luminosity states. I will present my initial constraints and discuss the challenges associated with the method.

Atmospheric pressure chemical ionization studies of non-polar isomeric hydrocarbons using ion mobility spectrometry and mass spectrometry with different ionization techniques

NASA Technical Reports Server (NTRS)

Borsdorf, H.; Nazarov, E. G.; Eiceman, G. A.

2002-01-01

The ionization pathways were determined for sets of isomeric non-polar hydrocarbons (structural isomers, cis/trans isomers) using ion mobility spectrometry and mass spectrometry with different techniques of atmospheric pressure chemical ionization to assess the influence of structural features on ion formation. Depending on the structural features, different ions were observed using mass spectrometry. Unsaturated hydrocarbons formed mostly [M - 1]+ and [(M - 1)2H]+ ions while mainly [M - 3]+ and [(M - 3)H2O]+ ions were found for saturated cis/trans isomers using photoionization and 63Ni ionization. These ionization methods and corona discharge ionization were used for ion mobility measurements of these compounds. Different ions were detected for compounds with different structural features. 63Ni ionization and photoionization provide comparable ions for every set of isomers. The product ions formed can be clearly attributed to the structures identified. However, differences in relative abundance of product ions were found. Although corona discharge ionization permits the most sensitive detection of non-polar hydrocarbons, the spectra detected are complex and differ from those obtained with 63Ni ionization and photoionization. c. 2002 American Society for Mass Spectrometry.

Characterization of the stereochemical selectivity of beta-hairpin formation by molecular dynamics simulations.

PubMed

Soto, Patricia; Zangi, Ronen

2005-01-27

The stability of secondary structure motifs found in proteins is influenced by the choice of the configuration of the chiral centers present in the amino acid residues (i.e., D vs L). Experimental studies showed that the structural properties of the tetrapeptide (L)V(L)P(L)A(L)L (all-L) are drastically altered upon mutating the L-proline and the L-alanine by their d-enantiomers [J. Am. Chem. Soc. 1996, 118, 6975]. The all-L diastereomer is unstructured, experiencing little or no beta-hairpin formation, while the (L)V(D)P(D)A(L)L peptide exhibits a substantial population of beta-hairpin conformation. In this study, we perform molecular dynamics simulations to investigate the folding propensity of these two model peptides. The results confirm the experimental findings, namely, that the presence of d-amino acids in the loop region strongly induces beta-hairpin formation (a population increase from about 1.5% to 50% is observed). The major factor determining the different behavior is found to be the large difference in energy between the two diastereomers, approximately 22 kJ/mol, when they adopt a beta-hairpin structure. The higher energy observed for the all-L peptide is a consequence of none-ideal hydrogen bond formation and of steric repulsions. The results suggest that selective incorporation of D-amino acids in proteins can be used to enhance certain secondary structure elements. The kinetic behavior of the folding process observed in the simulations is also investigated. We find that the decay rate of the folded structure fits to a biexponential function, suggesting that the folding/unfolding process of a beta-hairpin is governed by two different mechanisms.

A new look at the kinematics of the bulge from an N-body model

NASA Astrophysics Data System (ADS)

Gómez, A.; Di Matteo, P.; Stefanovitch, N.; Haywood, M.; Combes, F.; Katz, D.; Babusiaux, C.

2016-05-01

By using an N-body simulation of a bulge that was formed via a bar instability mechanism, we analyse the imprints of the initial (I.e. before bar formation) location of stars on the bulge kinematics, in particular on the heliocentric radial velocity distribution of bulge stars. Four different latitudes were considered: b = -4°, -6°, -8°, and -10°, along the bulge minor axis as well as outside it, at l = ± 5° and l = ± 10°. The bulge X-shaped structure comprises stars that formed in the disk at different locations. Stars formed in the outer disk, beyond the end of the bar, which are part of the boxy peanut-bulge structure may show peaks in the velocity distributions at positive and negative heliocentric radial velocities with high absolute values that can be larger than 100 km s-1, depending on the observed direction. In some cases the structure of the velocity field is more complex and several peaks are observed. Stars formed in the inner disk, the most numerous, contribute predominantly to the X-shaped structure and present different kinematic characteristics. They display a rather symmetric velocity distribution and a smaller fraction of high-velocity stars. The stellar stream motion, which is induced by the bar changes with the star initial position, can reach more than 40 km s-1 for stars that originated in the external disk, depending on the observed direction. Otherwise it is smaller than approximately 20 km s-1. In all cases, it decreases from b = -4° to -10°. Our results may enable us to interpret the cold high-velocity peak observed in the APOGEE commissioning data, as well as the excess of high-velocity stars in the near and far arms of the X-shaped structure at l = 0° and b = -6°. When compared with real data, the kinematic picture becomes more complex due to the possible presence in the observed samples of classical bulge and/or thick disk stars. Overall, our results point to the existence of complex patterns and structures in the bulge velocity fields, which are generated by the bar. This suggests that caution should be used when interpreting the bulge kinematics: the presence of substructures, peaks and clumps in the velocity fields is not necessarily a sign of past accretion events.

Effects of geoduck (Panopea generosa) aquaculture on resident and transient macrofauna communities of Puget Sound, Washington, USA

USGS Publications Warehouse

Mcdonald, P. Sean; Galloway, Aaron W.E.; McPeek, Kathleen C.; VanBlaricom, Glenn R.

2015-01-01

In Washington state, commercial culture of geoducks (Panopea generosa) involves large-scale out-planting of juveniles to intertidal habitats, and installation of PVC tubes and netting to exclude predators and increase early survival. Structures associated with this nascent aquaculture method are examined to determine whether they affect patterns of use by resident and transient macrofauna. Results are summarized from regular surveys of aquaculture operations and reference beaches in 2009 to 2011 at three sites during three phases of culture: (1) pregear (-geoducks, -structure), (2) gear present (+geoducks, +structures), and (3) postgear (+geoducks, -structures). Resident macroinvertebrates (infauna and epifauna) were sampled monthly (in most cases) using coring methods at low tide during all three phases. Differences in community composition between culture plots and reference areas were examined with permutational analysis of variance and homogeneity of multivariate dispersion tests. Scuba and shoreline transect surveys were used to examine habitat use by transient fish and macroinvertebrates. Analysis of similarity and complementary nonmetric multidimensional scaling were used to compare differences between species functional groups and habitat type during different aquaculture phases. Results suggest that resident and transient macrofauna respond differently to structures associated with geoduck aquaculture. No consistent differences in the community of resident macrofauna were observed at culture plots or reference areas at the three sites during any year. Conversely, total abundance of transient fish and macroinvertebrates were more than two times greater at culture plots than reference areas when aquaculture structures were in place. Community composition differed (analysis of similarity) between culture and reference plots during the gear-present phase, but did not persist to the next farming stage (postgear). Habitat complexity associated with shellfish aquaculture may attract some structure-associated transient species observed infrequently on reference beaches, and may displace other species that typically occur in areas lacking epibenthic structure. This study provides a first look at the effects of multiple phases of geoduck farming on macrofauna, and has important implications for the management of a rapidly expanding sector of the aquaculture industry.

Early Jurassic extensional inheritance in the Lurestan region of the Zagros fold-and-thrust belt, Iran.

NASA Astrophysics Data System (ADS)

Tavani, Stefano; Parente, Mariano; Vitale, Stefano; Puzone, Francesco; Erba, Elisabetta; Bottini, Cinzia; Morsalnejad, Davoud; Mazzoli, Stefano

2017-04-01

It has long been recognized that the tectonic architecture of the Zagros mountain belt was strongly controlled by inherited structures previously formed within the Arabian plate. These preexisting features span in age from the pre-Cambrian to the Mesozoic, showing different trends and deformation styles. Yet, these structures are currently not fully understood. This uncertainty is partly related with the paucity of exposures, which rarely allows a direct observation of these important deformation features. The Lurestan Province of Iran provides a remarkable exception, since it is one of the few places of the Zagros mountain belt where exposures of Triassic and Jurassic rocks are widespread. In this area we carried out structural observations on Mesozoic extensional structures developed at the southern margin of the Neo-Tethyan basin. Syn-sedimentary extensional faults are hosted within the Triassic-Cretaceous succession, being particularly abundant in the Jurassic portion of the stratigraphy. Early to Middle Jurassic syn-sedimentary faults are observed in different paleogeographic domains of the area, and their occurrence is coherent with the subsequent transition from shallow-water to deep-sea basin environments, observed in a wide portion of the area. Most of the thrusts exposed in the area may indeed be interpreted as reactivated Jurassic extensional faults, or as reverse faults whose nucleation was controlled by the location of preexisting normal faults, as a result of positive inversion during crustal shortening and mountain building.

WAXS studies of the structural diversity of hemoglobin in solution.

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

Makowski, L.; Bardhan, J.; Gore, D.

2011-01-01

Specific ligation states of hemoglobin are, when crystallized, capable of taking on multiple quaternary structures. The relationship between these structures, captured in crystal lattices, and hemoglobin structure in solution remains uncertain. Wide-angle X-ray solution scattering (WAXS) is a sensitive probe of protein structure in solution that can distinguish among similar structures and has the potential to contribute to these issues. We used WAXS to assess the relationships among the structures of human and bovine hemoglobins in different liganded forms in solution. WAXS data readily distinguished among the various forms of hemoglobins. WAXS patterns confirm some of the relationships among hemoglobinmore » structures that have been defined through crystallography and NMR and extend others. For instance, methemoglobin A in solution is, as expected, nearly indistinguishable from HbCO A. Interestingly, for bovine hemoglobin, the differences between deoxy-Hb, methemoglobin and HbCO are smaller than the corresponding differences in human hemoglobin. WAXS data were also used to assess the spatial extent of structural fluctuations of various hemoglobins in solution. Dynamics has been implicated in allosteric control of hemoglobin, and increased dynamics has been associated with lowered oxygen affinity. Consistent with that notion, WAXS patterns indicate that deoxy-Hb A exhibits substantially larger structural fluctuations than HbCO A. Comparisons between the observed WAXS patterns and those predicted on the basis of atomic coordinate sets suggest that the structures of Hb in different liganded forms exhibit clear differences from known crystal structure.« less

Mass loss from red giants - Infrared spectroscopy

NASA Technical Reports Server (NTRS)

Wannier, P. G.

1985-01-01

A discussion is presented of IR spectroscopy, particularly high-resolution spectroscopy in the approximately 1-20 micron band, as it impacts the study of circumstellar envelopes. The molecular bands within this region contain an enormous amount of information, especially when observed with sufficient resolution to obtain kinematic information. In a single spectrum, it is possible to resolve lines from up to 50 different rotational/vibrational levels of a given molecule and to detect several different isotopic variants. When high resolution techniques are combined with mapping techniques and/or time sequence observations of variable stars, the resulting information can paint a very detailed picture of the mass-loss phenomenon. To date, near-IR observations have been made of 20 molecular species. CO is the most widely observed molecule and useful information has been gleaned from the observed rotational excitation, kinematics, time variability and spatial structure of its lines. Examples of different observing techniques are discussed in the following sections.

[Rapid ecological assessment of tropical fish communities in a gold mine area of Costa Rica].

PubMed

Espinoza Mendiola, Mario

2008-12-01

Gold mining impacts have generated a great concern regarding aquatic systems and habitat fragmentation. Anthropogenic disturbances on the structure and heterogeneity of a system can have an important effect on aquatic community stability. Ecological rapid assessments (1996, 2002, and 2007) were employed to determine the structure, composition and distribution of tropical fish communities in several rivers and smaller creeks from a gold mining area in Cerro Crucitas, Costa Rica. In addition, species composition and relative abundance were related with habitat structure. A total of 35 species were registered, among which sardine Astyanax aeneus (Characidae) and livebearer Alfaro cultratus (Poeciliidae) were the most abundant fish (71%). The highest species richness was observed in Caño Crucitas (s=19) and Minas Creek (s=18). Significant differences in fish communities structure and composition from Infiernillo river and Minas creek were observed (lamda = 0.0, F(132, 66) = 2.24, p < 0.001). Presence and/or absence of certain species such as Dormitor gobiomorus, Rhamdia nicaraguensis, Parachromis loiseillei and Atractosteus tropicus explained most of the spatial variation among sites. Habitat structure also contributed to explain differences among sites (lamda = 0.004, F(60.183) = 5.52, p < 0.001). Substratum (soft and hard bottom types) and habitat attributes (elevation, width and depth) explained most of the variability observed in Infiernillo River, Caño Crucitas and Tamagá Creek. In addition, a significant association between fish species and habitat structure was observed. This study reveals a high complexity in tropical fish communities that inhabit a gold mine area. Furthermore, it highlights the importance of habitat heterogeneity in fish community dynamics. The loss and degradation of aquatic systems in Cerro Crucitas can have a strong negative effect on fish community structure and composition of local species. A better understanding of the use of specific habitats that serve as essential fish habitats can improve tropical fish conservation and management strategies, thus increasing local diversity, and thereby, the biological importance of the area.

Structure-driven turbulence in ``No man's Land''

NASA Astrophysics Data System (ADS)

Kosuga, Yusuke; Diamond, Patrick

2012-10-01

Structures are often observed in many physical systems. In tokamaks, for example, such structures are observed as density blobs and holes. Such density blobs and holes are generated at the tokamak edge, where strong gradient perturbations generate an outgoing blob and an incoming hole. Since density holes can propagate from the edge to the core, such structures may play an important role in understanding the phenomenology of the edge-core coupling region, so-called ``No Man's Land.'' In this work, we discuss the dynamics of such structures in real space. In particular, we consider the dynamics of density blobs and holes in the Hasegawa-Wakatani system. Specific questions addressed here include: i) how these structures extract free energy and enhance transport? how different is the relaxation driven by such structures from that driven by linear drift waves? ii) how these structures interact with shear flows? In particular, how these structures interact with a shear layer, which can absorb structures resonantly? iii) how can we calculate the coupled evolution of structures and shear flows? Implications for edge-core coupling problem are discussed as well.

Orientale and Caloris. [lunar basins with similar structural features

NASA Technical Reports Server (NTRS)

Mccauley, J. F.

1977-01-01

Based on revised stratigraphy, structural interpretation, explosion-crater data, and a genetic model for Orientale, it is suggested that Orientale and Caloris have much in common. It is noted that: (1) although the basin fill in Caloris is different from that seen in Orientale, the materials between the most prominent scarp and the weakly-developed outer scarp may be degraded equivalents of the massifs and knobs associated with the Montes Rook, (2) the Montes Rook and the main Caloris scarp have similar stratigraphic and structural features, (3) the lineated ejecta derived from shallower horizons are found near and beyond the weakly-developed outer Caloris scarp which is the counterpart of the Orientale scarp, (4) a well developed field of secondary craters is observed beyond 1 basin diameter at Caloris, (5) the observed textural differences between the material around the main Caloris scarp and the lineated material beyond suggest that Mercury is layered and that Caloris crater excavated coherent materials from one or more of these layers at depth, and (6) the difference in spacing between the Caloris rings is not related to internal layering effects.

Exploring the difference in xerogels and organogels through in situ observation

PubMed Central

Li, Zhiming; Wang, Haitao; Li, Min; Ozaki, Yukihiro; Wei, Jue

2018-01-01

Solvent–gelator interactions play a key role in mediating organogel formation and ultimately determine the physico-chemical properties of the organogels and xerogels. The ethanol organogels of 1,4-bis[(3,4,5-trihexyloxy phenyl)hydrazide]phenylene (TC6) were investigated in situ by FT-IR, Raman and fluorescence spectra, and XRD, and it was confirmed that the intermolecular interaction and aggregation structure of TC6 ethanol organogels were quite different from those of xerogels. Simultaneously, unprecedented phase transition from organogel to suspension upon heating was observed in ethanol organogel, and the suspension phase exhibited lytropic liquid crystalline behaviour with a rectangular columnar structure. This study may open the possibility to design new gelators with a new dimension of versatility. PMID:29410792

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

NASA Astrophysics Data System (ADS)

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

1998-07-01

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

Power in methods: language to infants in structured and naturalistic contexts.

PubMed

Tamis-LeMonda, Catherine S; Kuchirko, Yana; Luo, Rufan; Escobar, Kelly; Bornstein, Marc H

2017-11-01

Methods can powerfully affect conclusions about infant experiences and learning. Data from naturalistic observations may paint a very different picture of learning and development from those based on structured tasks, as illustrated in studies of infant walking, object permanence, intention understanding, and so forth. Using language as a model system, we compared the speech of 40 mothers to their 13-month-old infants during structured play and naturalistic home routines. The contrasting methods yielded unique portrayals of infant language experiences, while simultaneously underscoring cross-situational correspondence at an individual level. Infants experienced substantially more total words and different words per minute during structured play than they did during naturalistic routines. Language input during structured play was consistently dense from minute to minute, whereas language during naturalistic routines showed striking fluctuations interspersed with silence. Despite these differences, infants' language experiences during structured play mirrored the peak language interactions infants experienced during naturalistic routines, and correlations between language inputs in the two conditions were strong. The implications of developmental methods for documenting the nature of experiences and individual differences are discussed. © 2017 John Wiley & Sons Ltd.

[Study on the histological anatomy on medicinal parts of Semiaquilegia adoxoides in different developmental stages].

PubMed

Yang, Jun; Peng, Hua-Sheng; Wang, De-Qun; Sun, Jing

2012-08-01

To study the structural characteristics of medicinal parts at different developmental stages of Semiaquilegia adoxoides. Observed on sections of medicinal parts of Semiaquilegia adoxoides at various developmental stages during growth periods. There was a great difference between the upper and bottom of the medicinal parts of Semiaquilegia adoxoides: rhizome at the top of root had the structure of rhizome with pith; The upper one third of enlarged root was root-stem transition zone, also with pith; And the other two thirds of enlarged root had the structure of root without pith. The microscopic structures of the medicinal parts of Semiaquilegia adoxoides at various developmental stages presented great disparities, the structures regularly increased as the size of plant increased. It was the first time to find that there were structure of growth rings in xylem of the root and rhizome of Semiaquilegia adoxoides. The method of identification of characteristics and histology of medicinal parts of Semiaquilegia adoxoides at different developmental stages is established, and the results provide a basis for identification of Semiaquilegia adoxoides medicinal materials.

Plasmonic-based colorimetric and spectroscopic discrimination of acetic and butyric acids produced by different types of Escherichia coli through the different assembly structures formation of gold nanoparticles.

PubMed

La, Ju A; Lim, Sora; Park, Hyo Jeong; Heo, Min-Ji; Sang, Byoung-In; Oh, Min-Kyu; Cho, Eun Chul

2016-08-24

We present a plasmonic-based strategy for the colourimetric and spectroscopic differentiation of various organic acids produced by bacteria. The strategy is based on our discovery that particular concentrations of dl-lactic, acetic, and butyric acids induce different assembly structures, colours, and optical spectra of gold nanoparticles. We selected wild-type (K-12 W3110) and genetically-engineered (JHL61) Escherichia coli (E. coli) that are known to primarily produce acetic and butyric acid, respectively. Different assembly structures and optical properties of gold nanoparticles were observed when different organic acids, obtained after the removal of acid-producing bacteria, were mixed with gold nanoparticles. Moreover, at moderate cell concentrations of K-12 W3110 E. coli, which produce sufficient amounts of acetic acid to induce the assembly of gold nanoparticles, a direct estimate of the number of bacteria was possible based on time-course colour change observations of gold nanoparticle aqueous suspensions. The plasmonic-based colourimetric and spectroscopic methods described here may enable onsite testing for the identification of organic acids produced by bacteria and the estimation of bacterial numbers, which have applications in health and environmental sciences. Copyright © 2016 Elsevier B.V. All rights reserved.

The neuro-muscular system in cercaria with different patterns of locomotion.

PubMed

Tolstenkov, Oleg O; Prokofiev, Vladimir V; Terenina, Nadezhda B; Gustafsson, Margaretha K S

2011-05-01

The neuro-muscular system (NMS) of cercariae with different swimming patterns was studied with immunocytochemical methods and confocal scanning laser microscopy. Specimens of the continuously swimming Cercaria parvicaudata, Maritrema subdolum and Himasthla elongata were compared with specimens of the intermittently swimming Cryptocotyle lingua and the attached Podocotyle atomon. The patterns of F-actin in the musculature, 5-HT immunoreactive (-IR), FMRFamide-IR neuronal elements, α-tubulin-IR elements in the nervous and sensory systems and DAPI-stained nuclei were investigated. The general plan of the NMS was similar in all cercariae studied. No major structural differences in the patterns of muscle fibres were observed. However, in the tail of C. lingua, transverse muscle fibres connecting the bands of longitudinal muscles were found. No major structural differences in the 5-HT- or FMRFamide-IR nervous systems were observed. The number of 5-HT-IR neurones in the cercarial bodies varied between 12 and 14. The number and distribution of the α-tubulin-IR processes on the cercarial bodies and tails differed from each other. The relation between the number and structure of the α-tubulin-IR processes and the host finding strategy of the cercariae is discussed. A detailed schematic picture of the NMS in the tails of C. lingua and M. subdolum is presented.

Signatures of solar wind latitudinal structure in interplanetary Lyman-alpha emissions - Mariner 10 observations

NASA Technical Reports Server (NTRS)

Kumar, S.; Broadfoot, A. L.

1979-01-01

A detailed analysis is conducted which shows that signatures in the interplanetary Lyman-alpha emissions observed in three different data sets from Mariner 10 (corresponding to different locations of the spacecraft) provide firm evidence that the intensity departures are correlated with a decrease in solar wind flux with increasing latitude. It is suggested that observations of the interplanetary emission can be used to monitor average solar wind activity at high latitudes. The asymmetry in the solar radiation field as a source of observed departures in L-alpha data is considered and attention is given to the interstellar hydrogen and helium density.

A design procedure for fan inflow control structures

NASA Technical Reports Server (NTRS)

Gedge, M. R.

1980-01-01

Significant differences exist in the noise generated by engine in flight and engines operating on the test stand. It was observed that these differences can be reduced by use of an inflow control structure (ICS) in the static test configuration. The results of the second phase of a three phase program are described and the results of a test program conducted to assess and modify various theoretical models, leading to the development of an ICS design system is summarized.

Differences in macroinvertebrate community structure in streams and rivers with different hydrologic regimes in the semi-arid Colorado Plateau

USGS Publications Warehouse

Miller, Matthew P.; Brasher, Anne M.D.

2011-01-01

Aquatic macroinvertebrates are sensitive to changes in their chemical and physical environment, and as such, serve as excellent indicators of overall ecosystem health. Moreover, temporal and spatial differences in macroinvertebrate community structure can be used to investigate broad issues in aquatic science, such as the hypothesis that changes in climate are likely to have disproportionately large effects on small, intermittent stream ecosystems. We quantified macroinvertebrate community structure and abiotic conditions at ten stream sites with different dominant hydrologic regimes in the Colorado Plateau, ranging from small, intermittent desert streams to large perennial mountain rivers. Considerable differences were observed in community structure between sites with differing hydrologic regimes. Quantitative results of non-metric multidimensional scaling (NMDS) ordination and Spearman rank correlations between physical habitat and macroinvertebrate resemblance matrices indicate that discharge, geomorphic channel unit type (% pools vs. % riffles), percent of substrate composed of sand, and velocity were the subset of measured habitat variables that best explained the differences in macroinvertebrate community structure among sites. Of the 134 taxa identified, nine taxa explained 95 % of the variability in community structure between sites. These results add to a growing base of knowledge regarding the functioning of lotic ecosystems in the Colorado Plateau, and provide timely information on anticipated changes in the structure and function of aquatic ecosystems in response to predicted future environmental conditions.

The Structure of the Elusive Simplest Dipeptide Gly-Gly.

PubMed

Cabezas, Carlos; Varela, Marcelino; Alonso, José L

2017-06-01

Among the hundreds of peptide compounds for which conformations have been determined by using different spectroscopic techniques, the structure of the simplest dipeptide glycylglycine (Gly-Gly) is conspicuously absent. Herein, for the first time, solid samples of Gly-Gly have been vaporized by laser ablation and three different structures have been revealed in a supersonic expansion by Fourier transform microwave spectroscopy. The intramolecular hydrogen bonding interactions that stabilize the observed forms have been established based on the 14 N nuclear quadrupole hyperfine structure. We have illustrated how conformer interconversion distorts the equilibrium conformational distribution, giving rise to missing conformers in the conformational landscape. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

High resolution 10 mu spectrometry at different planetary latitudes. A practical Hadamard transform spectrometer for astronomical application. Final Report, 1 Sep. 1973 - 28 Apr. 1977. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Tai, M. H.; Harwit, M.; Melnick, G.; Dain, F. W.; Stasavage, G.; Briotta, D. A., Jr.; King, L. W.; Kameth, M.

1977-01-01

Infrared observations at different latitudes were studied in order to obtain spectra in the 10 micrometers region to understand differences in chemical composition or physical structure of the optical features. In order to receive such spectra of a rotating planet, simultaneous observations at different latitudes were made. A Hadamard transform spectrometer with 15 entrance slits was used to obtain 15 simultaneous spectra, at a resolution of 0.01 micrometers. The spectral band covered contained 255 spectral elements.

Brain structure differences between Chinese and Caucasian cohorts: A comprehensive morphometry study.

PubMed

Tang, Yuchun; Zhao, Lu; Lou, Yunxia; Shi, Yonggang; Fang, Rui; Lin, Xiangtao; Liu, Shuwei; Toga, Arthur

2018-05-01

Numerous behavioral observations and brain function studies have demonstrated that neurological differences exist between East Asians and Westerners. However, the extent to which these factors relate to differences in brain structure is still not clear. As the basis of brain functions, the anatomical differences in brain structure play a primary and critical role in the origination of functional and behavior differences. To investigate the underlying differences in brain structure between the two cultural/ethnic groups, we conducted a comparative study on education-matched right-handed young male adults (age = 22-29 years) from two cohorts, Han Chinese (n = 45) and Caucasians (n = 45), using high-dimensional structural magnetic resonance imaging (MRI) data. Using two well-validated imaging analysis techniques, surface-based morphometry (SBM) and voxel-based morphometry (VBM), we performed a comprehensive vertex-wise morphometric analysis of the brain structures between Chinese and Caucasian cohorts. We identified consistent significant between-group differences in cortical thickness, volume, and surface area in the frontal, temporal, parietal, occipital, and insular lobes as well as the cingulate cortices. The SBM analyses revealed that compared with Caucasians, the Chinese population showed larger cortical structures in the temporal and cingulate regions, and smaller structural measures in the frontal and parietal cortices. The VBM data of the same sample was well-aligned with the SBM findings. Our findings systematically revealed comprehensive brain structural differences between young male Chinese and Caucasians, and provided new neuroanatomical insights to the behavioral and functional distinctions in the two cultural/ethnic populations. © 2018 Wiley Periodicals, Inc.

The Growth of Human Hair.

ERIC Educational Resources Information Center

Jones, Helen J.

1984-01-01

Suggests a simple technique for collecting and observing human hair roots to compare structure, function, and variation. Students extract their own hair samples and view them using a 40-power microscope objective. Differences between active/inactive phases of hair growth are readily observed. (The activity can be adapted for younger students.) (DH)

Job Orientation of Male and Female College Graduates in Business

ERIC Educational Resources Information Center

Manhardt, Philip J.

1972-01-01

There was little overall sex differences in intrinsic job orientation but it was shown that the intrinsic-extrinsic dimension provides neither a complete explanation of the observed differences nor an accurate description of the underlying structure of job orientation. (Author)

View-angle-dependent AIRS Cloudiness and Radiance Variance: Analysis and Interpretation

NASA Technical Reports Server (NTRS)

Gong, Jie; Wu, Dong L.

2013-01-01

Upper tropospheric clouds play an important role in the global energy budget and hydrological cycle. Significant view-angle asymmetry has been observed in upper-level tropical clouds derived from eight years of Atmospheric Infrared Sounder (AIRS) 15 um radiances. Here, we find that the asymmetry also exists in the extra-tropics. It is larger during day than that during night, more prominent near elevated terrain, and closely associated with deep convection and wind shear. The cloud radiance variance, a proxy for cloud inhomogeneity, has consistent characteristics of the asymmetry to those in the AIRS cloudiness. The leading causes of the view-dependent cloudiness asymmetry are the local time difference and small-scale organized cloud structures. The local time difference (1-1.5 hr) of upper-level (UL) clouds between two AIRS outermost views can create parts of the observed asymmetry. On the other hand, small-scale tilted and banded structures of the UL clouds can induce about half of the observed view-angle dependent differences in the AIRS cloud radiances and their variances. This estimate is inferred from analogous study using Microwave Humidity Sounder (MHS) radiances observed during the period of time when there were simultaneous measurements at two different view-angles from NOAA-18 and -19 satellites. The existence of tilted cloud structures and asymmetric 15 um and 6.7 um cloud radiances implies that cloud statistics would be view-angle dependent, and should be taken into account in radiative transfer calculations, measurement uncertainty evaluations and cloud climatology investigations. In addition, the momentum forcing in the upper troposphere from tilted clouds is also likely asymmetric, which can affect atmospheric circulation anisotropically.

Modulation of the multistate folding of designed TPR proteins through intrinsic and extrinsic factors

PubMed Central

Phillips, J J; Javadi, Y; Millership, C; Main, E R G

2012-01-01

Tetratricopeptide repeats (TPRs) are a class of all alpha-helical repeat proteins that are comprised of 34-aa helix-turn-helix motifs. These stack together to form nonglobular structures that are stabilized by short-range interactions from residues close in primary sequence. Unlike globular proteins, they have few, if any, long-range nonlocal stabilizing interactions. Several studies on designed TPR proteins have shown that this modular structure is reflected in their folding, that is, modular multistate folding is observed as opposed to two-state folding. Here we show that TPR multistate folding can be suppressed to approximate two-state folding through modulation of intrinsic stability or extrinsic environmental variables. This modulation was investigated by comparing the thermodynamic unfolding under differing buffer regimes of two distinct series of consensus-designed TPR proteins, which possess different intrinsic stabilities. A total of nine proteins of differing sizes and differing consensus TPR motifs were each thermally and chemically denatured and their unfolding monitored using differential scanning calorimetry (DSC) and CD/fluorescence, respectively. Analyses of both the DSC and chemical denaturation data show that reducing the total stability of each protein and repeat units leads to observable two-state unfolding. These data highlight the intimate link between global and intrinsic repeat stability that governs whether folding proceeds by an observably two-state mechanism, or whether partial unfolding yields stable intermediate structures which retain sufficient stability to be populated at equilibrium. PMID:22170589

Features of highly structured equatorial plasma irregularities deduced from CHAMP observations

NASA Astrophysics Data System (ADS)

Xiong, C.; Lühr, H.; Ma, S. Y.; Stolle, C.; Fejer, B. G.

2012-08-01

In this study five years of CHAMP (Challenging Mini-satellite Payload) fluxgate magnetometer (FGM) data is used to investigate the characteristics of Equatorial Plasma Bubbles (EPBs). We filtered the FGM data by using band-passes with four different cut-off periods to get the EPBs with different maximum spatial scale sizes in the meridional plane ranging from 76-608 km. Associated with the EPB observations at about 400 km, the typical altitude of CHAMP during the year 2000-2005, we also investigate the post-sunset equatorial vertical plasma drift data from ROCSAT-1 (Republic of China Satellite 1). Since the height of the F-layer is highly correlated with the vertical plasma drift and solar flux, we sorted the ROCSAT-1 data into different groups by F10.7. From the integrated vertical drift we have estimated the post-sunset uplift of the ionosphere. By comparing the properties of EPB occurrence for different scale sizes with the global distribution of plasma vertical uplift, we have found that EPBs reaching higher altitudes are more structured than those which are sampled by CHAMP near the top side of the depleted fluxtube. Such a result is in accord with 3-D model simulations (Aveiro and Hysell, 2010). Small-scale EPB structures are observed by CHAMP when the irregularities reach apex heights of 800 km and more. Such events are encountered primarily in the Brazilian sector during the months around November, when the post-sunset vertical plasma drift is high.

Characterising protein, salt and water interactions with combined vibrational spectroscopic techniques.

PubMed

Perisic, Nebojsa; Afseth, Nils Kristian; Ofstad, Ragni; Hassani, Sahar; Kohler, Achim

2013-05-01

In this paper a combination of NIR spectroscopy and FTIR and Raman microspectroscopy was used to elucidate the effects of different salts (NaCl, KCl and MgSO(4)) on structural proteins and their hydration in muscle tissue. Multivariate multi-block technique Consensus Principal Component Analysis enabled integration of different vibrational spectroscopic techniques: macroscopic information obtained by NIR spectroscopy is directly related to microscopic information obtained by FTIR and Raman microspectroscopy. Changes in protein secondary structure observed at different concentrations of salts were linked to changes in protein hydration affinity. The evidence for this was given by connecting the underlying FTIR bands of the amide I region (1700-1600 cm(-1)) and the water region (3500-3000 cm(-1)) with water vibrations obtained by NIR spectroscopy. In addition, Raman microspectroscopy demonstrated that different cations affected structures of aromatic amino acid residues differently, which indicates that cation-π interactions play an important role in determination of the final structure of protein molecules. Copyright © 2012 Elsevier Ltd. All rights reserved.

Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions.

PubMed

Baltoumas, Fotis A; Theodoropoulou, Margarita C; Hamodrakas, Stavros J

2016-06-01

A significant amount of experimental evidence suggests that G-protein coupled receptors (GPCRs) do not act exclusively as monomers but also form biologically relevant dimers and oligomers. However, the structural determinants, stoichiometry and functional importance of GPCR oligomerization remain topics of intense speculation. In this study we attempted to evaluate the nature and dynamics of GPCR oligomeric interactions. A representative set of GPCR homodimers were studied through Coarse-Grained Molecular Dynamics simulations, combined with interface analysis and concepts from network theory for the construction and analysis of dynamic structural networks. Our results highlight important structural determinants that seem to govern receptor dimer interactions. A conserved dynamic behavior was observed among different GPCRs, including receptors belonging in different GPCR classes. Specific GPCR regions were highlighted as the core of the interfaces. Finally, correlations of motion were observed between parts of the dimer interface and GPCR segments participating in ligand binding and receptor activation, suggesting the existence of mechanisms through which dimer formation may affect GPCR function. The results of this study can be used to drive experiments aimed at exploring GPCR oligomerization, as well as in the study of transmembrane protein-protein interactions in general.

Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions

NASA Astrophysics Data System (ADS)

Baltoumas, Fotis A.; Theodoropoulou, Margarita C.; Hamodrakas, Stavros J.

2016-06-01

A significant amount of experimental evidence suggests that G-protein coupled receptors (GPCRs) do not act exclusively as monomers but also form biologically relevant dimers and oligomers. However, the structural determinants, stoichiometry and functional importance of GPCR oligomerization remain topics of intense speculation. In this study we attempted to evaluate the nature and dynamics of GPCR oligomeric interactions. A representative set of GPCR homodimers were studied through Coarse-Grained Molecular Dynamics simulations, combined with interface analysis and concepts from network theory for the construction and analysis of dynamic structural networks. Our results highlight important structural determinants that seem to govern receptor dimer interactions. A conserved dynamic behavior was observed among different GPCRs, including receptors belonging in different GPCR classes. Specific GPCR regions were highlighted as the core of the interfaces. Finally, correlations of motion were observed between parts of the dimer interface and GPCR segments participating in ligand binding and receptor activation, suggesting the existence of mechanisms through which dimer formation may affect GPCR function. The results of this study can be used to drive experiments aimed at exploring GPCR oligomerization, as well as in the study of transmembrane protein-protein interactions in general.

Velocity and Attenuation Structure of the Earth's Inner Core Boundary From Semi-Automatic Waveform Modeling

NASA Astrophysics Data System (ADS)

Jin, J.; Song, X.; Sun, D.; Helmberger, D. V.

2013-12-01

The structure of the Earth's inner core boundary (ICB) is complex. Hemispherical differences and local variations of velocity and attenuation structures, as well as the ICB topography have been reported in previous studies. We are using an automatic waveform modeling method to improve the resolution of the ICB structures. The full waveforms of triplicated PKP phases at distance ranges from 120 to 165 degrees are used to model the lowermost 200 km of the outer core and the uppermost 600km of the inner core. Given a 1D velocity and attenuation model, synthetic seismograms are generated by Generalized Ray Theory. We are also experimenting 2D synthetic methods (WKM, AXISEM, and 2D FD) for 2D models (in the mantle and the inner core). The source time function is determined by observed seismic data. We use neighborhood algorithm to search for a group of models that minimize the misfit between predictions and observations. Tests on synthetic data show the efficiency of this method in resolving detailed velocity and attenuation structures of the ICB simultaneously. We are analyzing seismic record sections at dense arrays along different paths and will report our modeling and inversion results in the meeting.

An Analysis of Cassini Observations Regarding the Structure of Jupiter's Equatorial Atmosphere

NASA Technical Reports Server (NTRS)

Choi, David S.; Simon-Miller, Amy A.

2012-01-01

A variety of intriguing atmospheric phenomena reside on both sides of Jupiter's equator. 5-micron bright hot spots and opaque plumes prominently exhibit dynamic behavior to the north, whereas compact, dark chevron-shaped features and isolated anticyclonic disturbances periodically occupy the southern equatorial latitudes. All of these phenomena are associated with the vertical and meridional perturbations of Rossby waves disturbing the mean atmospheric state. As previous observational analysis and numerical simulations have investigated the dynamics of the region, an examination of the atmosphere's vertical structure though radiative transfer analysis is necessary for improved understanding of this unique environment. Here we present preliminary analysis of a multispectral Cassini imaging data set acquired during the spacecraft's flyby of Jupiter in 2000. We evaluated multiple methane and continuum spectral channels at available viewing angles to improve constraints on the vertical structure of the haze and cloud layers comprising these interesting features. Our preliminary results indicate distinct differences in the structure for both hemispheres. Upper troposphere hazes and cloud layers are prevalent in the northern equatorial latitudes, but are not present in corresponding southern latitudes. Continued analysis will further constrain the precise structure present in these phenomena and the differences between them.

Experimental and Numerical Evaluation of the Mechanical Behavior of Strongly Anisotropic Light-Weight Metallic Fiber Structures under Static and Dynamic Compressive Loading

PubMed Central

Andersen, Olaf; Vesenjak, Matej; Fiedler, Thomas; Jehring, Ulrike; Krstulović-Opara, Lovre

2016-01-01

Rigid metallic fiber structures made from a variety of different metals and alloys have been investigated mainly with regard to their functional properties such as heat transfer, pressure drop, or filtration characteristics. With the recent advent of aluminum and magnesium-based fiber structures, the application of such structures in light-weight crash absorbers has become conceivable. The present paper therefore elucidates the mechanical behavior of rigid sintered fiber structures under quasi-static and dynamic loading. Special attention is paid to the strongly anisotropic properties observed for different directions of loading in relation to the main fiber orientation. Basically, the structures show an orthotropic behavior; however, a finite thickness of the fiber slabs results in moderate deviations from a purely orthotropic behavior. The morphology of the tested specimens is examined by computed tomography, and experimental results for different directions of loading as well as different relative densities are presented. Numerical calculations were carried out using real structural data derived from the computed tomography data. Depending on the direction of loading, the fiber structures show a distinctively different deformation behavior both experimentally and numerically. Based on these results, the prevalent modes of deformation are discussed and a first comparison with an established polymer foam and an assessment of the applicability of aluminum fiber structures in crash protection devices is attempted. PMID:28773522

Experimental and Numerical Evaluation of the Mechanical Behavior of Strongly Anisotropic Light-Weight Metallic Fiber Structures under Static and Dynamic Compressive Loading.

PubMed

Andersen, Olaf; Vesenjak, Matej; Fiedler, Thomas; Jehring, Ulrike; Krstulović-Opara, Lovre

2016-05-21

Rigid metallic fiber structures made from a variety of different metals and alloys have been investigated mainly with regard to their functional properties such as heat transfer, pressure drop, or filtration characteristics. With the recent advent of aluminum and magnesium-based fiber structures, the application of such structures in light-weight crash absorbers has become conceivable. The present paper therefore elucidates the mechanical behavior of rigid sintered fiber structures under quasi-static and dynamic loading. Special attention is paid to the strongly anisotropic properties observed for different directions of loading in relation to the main fiber orientation. Basically, the structures show an orthotropic behavior; however, a finite thickness of the fiber slabs results in moderate deviations from a purely orthotropic behavior. The morphology of the tested specimens is examined by computed tomography, and experimental results for different directions of loading as well as different relative densities are presented. Numerical calculations were carried out using real structural data derived from the computed tomography data. Depending on the direction of loading, the fiber structures show a distinctively different deformation behavior both experimentally and numerically. Based on these results, the prevalent modes of deformation are discussed and a first comparison with an established polymer foam and an assessment of the applicability of aluminum fiber structures in crash protection devices is attempted.

Looking at Earth observation impacts with fresh eyes: a Landsat example

NASA Astrophysics Data System (ADS)

Wu, Zhuoting; Snyder, Greg; Quirk, Bruce; Stensaas, Greg; Vadnais, Carolyn; Babcock, Michael; Dale, Erin; Doucette, Peter

2016-05-01

The U. S. Geological Survey (USGS) initiated the Requirements, Capabilities and Analysis for Earth Observations (RCA-EO) activity in the Land Remote Sensing (LRS) program to provide a structured approach to collect, store, maintain, and analyze user requirements and Earth observing system capabilities information. RCA-EO enables the collection of information on current key Earth observation products, services, and projects, and to evaluate them at different organizational levels within an agency, in terms of how reliant they are on Earth observation data from all sources, including spaceborne, airborne, and ground-based platforms. Within the USGS, RCA-EO has engaged over 500 subject matter experts in this assessment, and evaluated the impacts of more than 1000 different Earth observing data sources on 345 key USGS products and services. This paper summarizes Landsat impacts at various levels of the organizational structure of the USGS and highlights the feedback of the subject matter experts regarding Landsat data and Landsat-derived products. This feedback is expected to inform future Landsat mission decision making. The RCA-EO approach can be applied in a much broader scope to derive comprehensive knowledge of Earth observing system usage and impacts, to inform product and service development and remote sensing technology innovation beyond the USGS.

How to Quantify Penile Corpus Cavernosum Structures with Histomorphometry: Comparison of Two Methods

PubMed Central

Felix-Patrício, Bruno; De Souza, Diogo Benchimol; Gregório, Bianca Martins; Costa, Waldemar Silva; Sampaio, Francisco José

2015-01-01

The use of morphometrical tools in biomedical research permits the accurate comparison of specimens subjected to different conditions, and the surface density of structures is commonly used for this purpose. The traditional point-counting method is reliable but time-consuming, with computer-aided methods being proposed as an alternative. The aim of this study was to compare the surface density data of penile corpus cavernosum trabecular smooth muscle in different groups of rats, measured by two observers using the point-counting or color-based segmentation method. Ten normotensive and 10 hypertensive male rats were used in this study. Rat penises were processed to obtain smooth muscle immunostained histological slices and photomicrographs captured for analysis. The smooth muscle surface density was measured in both groups by two different observers by the point-counting method and by the color-based segmentation method. Hypertensive rats showed an increase in smooth muscle surface density by the two methods, and no difference was found between the results of the two observers. However, surface density values were higher by the point-counting method. The use of either method did not influence the final interpretation of the results, and both proved to have adequate reproducibility. However, as differences were found between the two methods, results obtained by either method should not be compared. PMID:26413547

How to Quantify Penile Corpus Cavernosum Structures with Histomorphometry: Comparison of Two Methods.

PubMed

Felix-Patrício, Bruno; De Souza, Diogo Benchimol; Gregório, Bianca Martins; Costa, Waldemar Silva; Sampaio, Francisco José

2015-01-01

The use of morphometrical tools in biomedical research permits the accurate comparison of specimens subjected to different conditions, and the surface density of structures is commonly used for this purpose. The traditional point-counting method is reliable but time-consuming, with computer-aided methods being proposed as an alternative. The aim of this study was to compare the surface density data of penile corpus cavernosum trabecular smooth muscle in different groups of rats, measured by two observers using the point-counting or color-based segmentation method. Ten normotensive and 10 hypertensive male rats were used in this study. Rat penises were processed to obtain smooth muscle immunostained histological slices and photomicrographs captured for analysis. The smooth muscle surface density was measured in both groups by two different observers by the point-counting method and by the color-based segmentation method. Hypertensive rats showed an increase in smooth muscle surface density by the two methods, and no difference was found between the results of the two observers. However, surface density values were higher by the point-counting method. The use of either method did not influence the final interpretation of the results, and both proved to have adequate reproducibility. However, as differences were found between the two methods, results obtained by either method should not be compared.

Correlation of ICME Magnetic Fields at Radially Aligned Spacecraft

NASA Astrophysics Data System (ADS)

Good, S. W.; Forsyth, R. J.; Eastwood, J. P.; Möstl, C.

2018-03-01

The magnetic field structures of two interplanetary coronal mass ejections (ICMEs), each observed by a pair of spacecraft close to radial alignment, have been analysed. The ICMEs were observed in situ by MESSENGER and STEREO-B in November 2010 and November 2011, while the spacecraft were separated by more than 0.6 AU in heliocentric distance, less than 4° in heliographic longitude, and less than 7° in heliographic latitude. Both ICMEs took approximately two days to travel between the spacecraft. The ICME magnetic field profiles observed at MESSENGER have been mapped to the heliocentric distance of STEREO-B and compared directly to the profiles observed by STEREO-B. Figures that result from this mapping allow for easy qualitative assessment of similarity in the profiles. Macroscale features in the profiles that varied on timescales of one hour, and which corresponded to the underlying flux rope structure of the ICMEs, were well correlated in the solar east-west and north-south directed components, with Pearson's correlation coefficients of approximately 0.85 and 0.95, respectively; microscale features with timescales of one minute were uncorrelated. Overall correlation values in the profiles of one ICME were increased when an apparent change in the flux rope axis direction between the observing spacecraft was taken into account. The high degree of similarity seen in the magnetic field profiles may be interpreted in two ways. If the spacecraft sampled the same region of each ICME ( i.e. if the spacecraft angular separations are neglected), the similarity indicates that there was little evolution in the underlying structure of the sampled region during propagation. Alternatively, if the spacecraft observed different, nearby regions within the ICMEs, it indicates that there was spatial homogeneity across those different regions. The field structure similarity observed in these ICMEs points to the value of placing in situ space weather monitors well upstream of the Earth.

Strain rate dependent calcite microfabric evolution at natural conditions

NASA Astrophysics Data System (ADS)

Rogowitz, Anna; Grasemann, Bernhard; Huet, Benjamin; Habler, Gerlinde

2014-05-01

Crystal plastic deformational behaviour of calcite has been the focus of many experimental studies. Different strain rates, pressure and temperature conditions have been addressed to investigate a wide range of deformation regimes. However, a direct comparison with natural fault rocks remains difficult because of extreme differences between experimental and natural strain rates. A flanking structure developed in almost pure calcite marble on Syros (Cyclades, Greece). Due to rotation of a planar feature (crack) a heterogeneous strain field in the surrounding area occurred resulting in different strain domains and the formation of the flanking structure. Assuming that deformation was active continuously during the development of the flanking structure, the different strain domains correspond to different strain-rate domains. The outcrop thus represents the final state of a natural experiment and gives us a great opportunity to get natural constraints on strain rate dependent deformation behaviour of calcite. Comparing the microfabrics in the 1 to 2.5 cm thick shear zone and the surrounding host rocks, which formed under the same metamorphic conditions but with different strain rates, is the central focus of this study. Due to the extreme variation in strain and strain rate, different microstructures and textures can be observed corresponding to different deformation mechanisms. With increasing strain rate we observe a change in dominant deformation mechanism from dislocation glide to dislocation creep and finally diffusion creep. Additionally, a change from subgrain rotation to bulging recrystallization can be observed in the dislocation creep regime. Crystallographic preferred orientations (CPO) and the grade of intracrystalline deformation were measured on a FEI Quanta 3D FEG instrument equipped with an EDAX Digiview IV EBSD camera. At all strain rates clear CPOs developed leading to the assumption that calcite preferentially deforms within the dislocation creep field. However, we can also find clear evidence for grain size sensitive deformation mechanisms at smaller grain sizes (3.6 μm) consistent with experimental observations and determined flaw laws. The results of this study are compared with experimental data, closing the gap between experimental and natural geological strain rates.

Power in Methods: Language to Infants in Structured and Naturalistic Contexts

ERIC Educational Resources Information Center

Tamis-LeMonda, Catherine S.; Kuchirko, Yana; Luo, Rufan; Escobar, Kelly; Bornstein, Marc H.

2017-01-01

Methods can powerfully affect conclusions about infant experiences and learning. Data from naturalistic observations may paint a very different picture of learning and development from those based on structured tasks, as illustrated in studies of infant walking, object permanence, intention understanding, and so forth. Using language as a model…

Relationships Between Classroom Behavior and Cognitive Development Characteristics in Elementary School Children

ERIC Educational Resources Information Center

Good, Ron; And Others

1976-01-01

Studied classroom behaviors and conservation ability of elementary school science students taught by either Student-Structured Learning in Science (SSLS) or Teacher-Structured Learning in Science (TSLS). Reports on how behavior of conservers and nonconservers differs in SSLS and TSLS with respect to observing, following directions, and inventing…

The Social Organization of Participation Structures in Two Classrooms of Indian Students.

ERIC Educational Resources Information Center

Erickson, Frederick; Mohatt, Gerald

Participation structures in two classrooms of culturally similar children (Indian) taught by teachers with different cultural backgrounds (both experienced, one Indian, one non-Indian) were investigated in an Odawa reserve community in Northern Ontario, Canada. Data came from direct observation, videotaping in classrooms and in some children's…

Relationships between physical properties and sequence in silkworm silks

PubMed Central

Malay, Ali D.; Sato, Ryota; Yazawa, Kenjiro; Watanabe, Hiroe; Ifuku, Nao; Masunaga, Hiroyasu; Hikima, Takaaki; Guan, Juan; Mandal, Biman B.; Damrongsakkul, Siriporn; Numata, Keiji

2016-01-01

Silk has attracted widespread attention due to its superlative material properties and promising applications. However, the determinants behind the variations in material properties among different types of silk are not well understood. We analysed the physical properties of silk samples from a variety of silkmoth cocoons, including domesticated Bombyx mori varieties and several species from Saturniidae. Tensile deformation tests, thermal analyses, and investigations on crystalline structure and orientation of the fibres were performed. The results showed that saturniid silks produce more highly-defined structural transitions compared to B. mori, as seen in the yielding and strain hardening events during tensile deformation and in the changes observed during thermal analyses. These observations were analysed in terms of the constituent fibroin sequences, which in B. mori are predicted to produce heterogeneous structures, whereas the strictly modular repeats of the saturniid sequences are hypothesized to produce structures that respond in a concerted manner. Within saturniid fibroins, thermal stability was found to correlate with the abundance of poly-alanine residues, whereas differences in fibre extensibility can be related to varying ratios of GGX motifs versus bulky hydrophobic residues in the amorphous phase. PMID:27279149

Analysis of evoked deep brain connectivity.

PubMed

Klimeš, Petr; Janeček, Jiři; Jurák, Pavel; Halámek, Josef; Chládek, Han; Brázdil, Milan

2013-01-01

Establishing dependencies and connectivity among different structures in the human brain is an extremely complex issue. Methods that are often used for connectivity analysis are based on correlation mechanisms. Correlation methods can analyze changes in signal shape or instantaneous power level. Although recent studies imply that observation of results from both groups of methods together can disclose some of the basic functions and behavior of the human brain during mental activity and decision-making, there is no technique covering changes in the shape of signals along with changes in their power levels. We present a method using a time evaluation of the correlation along with a comparison of power levels in every available contact pair from intracranial electrodes placed in deep brain structures. Observing shape changes in signals after stimulation together with their power levels provides us with new information about signal character between different structures in the brain during task-related events - visual stimulation with motor response. The results for a subject with 95 intracerebral contacts used in this paper demonstrate a clear methodology capable of spatially analyzing connectivity among deep brain structures.

Relationships between physical properties and sequence in silkworm silks

NASA Astrophysics Data System (ADS)

Malay, Ali D.; Sato, Ryota; Yazawa, Kenjiro; Watanabe, Hiroe; Ifuku, Nao; Masunaga, Hiroyasu; Hikima, Takaaki; Guan, Juan; Mandal, Biman B.; Damrongsakkul, Siriporn; Numata, Keiji

2016-06-01

Silk has attracted widespread attention due to its superlative material properties and promising applications. However, the determinants behind the variations in material properties among different types of silk are not well understood. We analysed the physical properties of silk samples from a variety of silkmoth cocoons, including domesticated Bombyx mori varieties and several species from Saturniidae. Tensile deformation tests, thermal analyses, and investigations on crystalline structure and orientation of the fibres were performed. The results showed that saturniid silks produce more highly-defined structural transitions compared to B. mori, as seen in the yielding and strain hardening events during tensile deformation and in the changes observed during thermal analyses. These observations were analysed in terms of the constituent fibroin sequences, which in B. mori are predicted to produce heterogeneous structures, whereas the strictly modular repeats of the saturniid sequences are hypothesized to produce structures that respond in a concerted manner. Within saturniid fibroins, thermal stability was found to correlate with the abundance of poly-alanine residues, whereas differences in fibre extensibility can be related to varying ratios of GGX motifs versus bulky hydrophobic residues in the amorphous phase.

Experimental study of copper-alkali ion exchange in glass

NASA Astrophysics Data System (ADS)

Gonella, F.; Caccavale, F.; Bogomolova, L. D.; D'Acapito, F.; Quaranta, A.

1998-02-01

Copper-alkali ion exchange was performed by immersing different silicate glasses (soda-lime and BK7) in different molten eutectic salt baths (CuSO4:Na2SO4 and CuSO4:K2SO4). The obtained optical waveguides were characterized by m-lines spectroscopy for the determination of refractive index profiles, and by secondary ion mass spectrometry for the concentration profiles of the ion species involved in the exchange process. The different oxidation states of copper inside the glass structure were studied by electron paramagnetic resonance and x-ray absorption techniques. Interdiffusion copper coefficients were also determined. The Cu-alkali exchange was observed to give rise to local structural rearrangement of the atoms in the glass matrix. The Cu+ ion was found to mainly govern the exchange process, while competition between Cu-Na and K-Na exchanges occurred when a potassium sulfate bath was used. In this case, significant waveguide modal birefringence was observed.

The Origin of Time in the Songbird Motor Pathway

NASA Astrophysics Data System (ADS)

Long, Michael

2010-03-01

Many complex behaviors, like speech or music, have a hierarchical organization with structure on many timescales. How does the brain control the timing and ordering of behavioral sequences? Do different circuits control different timescales of the behavior? To begin answering these questions, we use temperature to manipulate the biophysical dynamics in different regions of the songbird forebrain involved in song production. We found that cooling premotor nucleus HVC (high vocal center) uniformly slows song speed by up to 40% while only slightly altering the acoustic structure, whereas cooling downstream motor nucleus RA (robust nucleus of the arcopallium) has no observable effect on song timing, despite a marked affect of RA spiking activity. To better understand the circuit mechanisms of precise premotor timing, we perform intracellular recordings in RA-projecting HVC neurons during singing. Our observations suggest highly ordered dynamics within HVC which are consistent with a synfire-like neuronal architecture.

Comparative ultrastructure of the cuticle of trichostrongyle nematodes.

PubMed

Beveridge, I; Durette-Desset, M C

1994-09-01

The ultrastructure of the cuticle was examined in Austrostrongylus victoriensis, Patricialina birdi and Woolleya monodelphis (Herpetostrongylidae) from marsupials, Paraustrostrongylus ratti (Herpetostrongylidae) from rodents, Nippostrongylus magnus and Odilia bainae (Heligmonellidae) from rodents, Cooperia oncophora and Camelostrongylus mentulatus (Trichostrongylidae) from ruminants, and Nematodirus spathiger (Molineidae) from ruminants. The principal cuticular layers described previously were present in all species investigated. Major differences in the shape and composition of cuticular struts were observed as well as differences in components of the median zone of the cuticle, including the fluid-filled regions present in several species. Several different types of strut were observed. Although strut structure within the Heligmonellidae appeared to be constant, there were variations within both the Herpetostrongylidae and Trichostrongylidae. In Nem. spathiger the cuticular ridges lacked struts. The diversity of structures found in the species examined suggests that more extensive comparative studies of the trichostrongyle cuticle are warranted.

Cross-Cultural and Gender Differences in ADHD Among Young Adults.

PubMed

Gómez-Benito, Juana; Van de Vijver, Fons J R; Balluerka, Nekane; Caterino, Linda

2015-10-29

This study explored the effect of cultural and gender differences in ADHD among Spanish, African American, Hispanic American, and European American young adults. Structural equivalence between the four groups was examined by Tucker's phi coefficient. A MANCOVA was carried out with cultural groups and gender as factors and age as covariate. Structural equivalence was observed across all groups, and no differential item functioning was found. No significant effect was found for gender, although, with the exception of the Hispanic group, males scored higher than females. Furthermore, small, though significant, cultural differences were found. The lowest levels of ADHD were observed in the European American group and the highest in the Hispanic American group. ADHD symptoms, notably inattention, showed some decline with age. Findings extend existing data and suggest a relationship between culture and the development of ADHD, which might be mediated by parenting style. © The Author(s) 2015.

Development of methodology for identification the nature of the polyphenolic extracts by FTIR associated with multivariate analysis.

PubMed

Grasel, Fábio dos Santos; Ferrão, Marco Flôres; Wolf, Carlos Rodolfo

2016-01-15

Tannins are polyphenolic compounds of complex structures formed by secondary metabolism in several plants. These polyphenolic compounds have different applications, such as drugs, anti-corrosion agents, flocculants, and tanning agents. This study analyses six different type of polyphenolic extracts by Fourier transform infrared spectroscopy (FTIR) combined with multivariate analysis. Through both principal component analysis (PCA) and hierarchical cluster analysis (HCA), we observed well-defined separation between condensed (quebracho and black wattle) and hydrolysable (valonea, chestnut, myrobalan, and tara) tannins. For hydrolysable tannins, it was also possible to observe the formation of two different subgroups between samples of chestnut and valonea and between samples of tara and myrobalan. Among all samples analysed, the chestnut and valonea showed the greatest similarity, indicating that these extracts contain equivalent chemical compositions and structure and, therefore, similar properties. Copyright © 2015 Elsevier B.V. All rights reserved.

Molecular interactions within the halophilic, thermophilic, and mesophilic prokaryotic ribosomal complexes: clues to environmental adaptation.

PubMed

Mallik, Saurav; Kundu, Sudip

2015-01-01

Using the available crystal structures of 50S ribosomal subunits from three prokaryotic species: Escherichia coli (mesophilic), Thermus thermophilus (thermophilic), and Haloarcula marismortui (halophilic), we have analyzed different structural features of ribosomal RNAs (rRNAs), proteins, and of their interfaces. We have correlated these structural features with the environmental adaptation strategies of the corresponding species. While dense intra-rRNA packing is observed in thermophilic, loose intra-rRNA packing is observed in halophilic (both compared to mesophilic). Interestingly, protein-rRNA interfaces of both the extremophiles are densely packed compared to that of the mesophilic. The intersubunit bridge regions are almost devoid of cavities, probably ensuring the proper formation of each bridge (by not allowing any loosely packed region nearby). During rRNA binding, the ribosomal proteins experience some structural transitions. Here, we have analyzed the intrinsically disordered and ordered regions of the ribosomal proteins, which are subjected to such transitions. The intrinsically disordered and disorder-to-order transition sites of the thermophilic and mesophilic ribosomal proteins are simultaneously (i) highly conserved and (ii) slowly evolving compared to rest of the protein structure. Although high conservation is observed at such sites of halophilic ribosomal proteins, but slow rate of evolution is absent. Such differences between thermophilic, mesophilic, and halophilic can be explained from their environmental adaptation strategy. Interestingly, a universal biophysical principle evident by a linear relationship between the free energy of interface formation, interface area, and structural changes of r-proteins during assembly is always maintained, irrespective of the environmental conditions.

Vancomycin: ligand recognition, dimerization and super-complex formation.

PubMed

Jia, ZhiGuang; O'Mara, Megan L; Zuegg, Johannes; Cooper, Matthew A; Mark, Alan E

2013-03-01

The antibiotic vancomycin targets lipid II, blocking cell wall synthesis in Gram-positive bacteria. Despite extensive study, questions remain regarding how it recognizes its primary ligand and what is the most biologically relevant form of vancomycin. In this study, molecular dynamics simulation techniques have been used to examine the process of ligand binding and dimerization of vancomycin. Starting from one or more vancomycin monomers in solution, together with different peptide ligands derived from lipid II, the simulations predict the structures of the ligated monomeric and dimeric complexes to within 0.1 nm rmsd of the structures determined experimentally. The simulations reproduce the conformation transitions observed by NMR and suggest that proposed differences between the crystal structure and the solution structure are an artifact of the way the NMR data has been interpreted in terms of a structural model. The spontaneous formation of both back-to-back and face-to-face dimers was observed in the simulations. This has allowed a detailed analysis of the origin of the cooperatively between ligand binding and dimerization and suggests that the formation of face-to-face dimers could be functionally significant. The work also highlights the possible role of structural water in stabilizing the vancomycin ligand complex and its role in the manifestation of vancomycin resistance. © 2013 The Authors Journal compilation © 2013 FEBS.

Changes in fish communities on a small spatial scale, an effect of increased habitat complexity by an offshore wind farm.

PubMed

van Hal, R; Griffioen, A B; van Keeken, O A

2017-05-01

The number of offshore wind farms (OWF) is increasing to meet the demands for renewable energy. The piles and hard substrate surrounding these piles creates new habitat for species with preference to hard substrates. We studied the impact of this hard substrate on the fish community in a Dutch OWF in the sandy southern North Sea, which had been in operation for five years. Multi-mesh gillnets were placed near the OWF structures on the hard substrate protection revetments and on the sandy bottom in the middle of the farm. The catches indicated attraction of cod, pouting, bullrout and edible and velvet crab, while attraction to the sandy habitat was shown for flatfish and whiting. Further, two species previously not caught in this area, goldsinny wrasse and grey trigger fish, were caught on the hard substrate. In addition a Dual-Frequency Identification Sonar (DIDSON) was used to record transects through the farm to observe individual fish in the water column throughout the farm and very near the OWF structures. High abundances of fish near the structure were observed during some days, while during other days equal distribution of fish in the area was observed. The area around the structures is thus only used temporarily for shelter or feeding. The DIDSON also allowed looking at the aggregation level of the fish. Seasonally the aggregation level differed most likely due to different species occurring in the area. In April, most fish were aggregated in schools, while in summer most observations were individual fish or loose aggregations. The wind farm structures had limited effect on the aggregation level compared to season or weather conditions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Understanding Transient Forcing with Plasma Instability Model, Ionospheric Propagation Model and GNSS Observations

NASA Astrophysics Data System (ADS)

Deshpande, K.; Zettergren, M. D.; Datta-Barua, S.

2017-12-01

Fluctuations in the Global Navigation Satellite Systems (GNSS) signals observed as amplitude and phase scintillations are produced by plasma density structures in the ionosphere. Phase scintillation events in particular occur due to structures at Fresnel scales, typically about 250 meters at ionospheric heights and GNSS frequency. Likely processes contributing to small-scale density structuring in auroral and polar regions include ionospheric gradient-drift instability (GDI) and Kelvin-Helmholtz instability (KHI), which result, generally, from magnetosphere-ionosphere interactions (e.g. reconnection) associated with cusp and auroral zone regions. Scintillation signals, ostensibly from either GDI or KHI, are frequently observed in the high latitude ionosphere and are potentially useful diagnostics of how energy from the transient forcing in the cusp or polar cap region cascades, via instabilities, to small scales. However, extracting quantitative details of instabilities leading to scintillation using GNSS data drastically benefits from both a model of the irregularities and a model of GNSS signal propagation through irregular media. This work uses a physics-based model of the generation of plasma density irregularities (GEMINI - Geospace Environment Model of Ion-Neutral Interactions) coupled to an ionospheric radio wave propagation model (SIGMA - Satellite-beacon Ionospheric-scintillation Global Model of the upper Atmosphere) to explore the cascade of density structures from medium to small (sub-kilometer) scales. Specifically, GEMINI-SIGMA is used to simulate expected scintillation from different instabilities during various stages of evolution to determine features of the scintillation that may be useful to studying ionospheric density structures. Furthermore we relate the instabilities producing GNSS scintillations to the transient space and time-dependent magnetospheric phenomena and further predict characteristics of scintillation in different geophysical situations. Finally we present initial comparison of our modeling results with GNSS scintillation observed via an array of receivers at Poker Flat.

Impact of genetic variation on three dimensional structure and function of proteins

PubMed Central

Bhattacharya, Roshni; Rose, Peter W.; Burley, Stephen K.

2017-01-01

The Protein Data Bank (PDB; http://wwpdb.org) was established in 1971 as the first open access digital data resource in biology with seven protein structures as its initial holdings. The global PDB archive now contains more than 126,000 experimentally determined atomic level three-dimensional (3D) structures of biological macromolecules (proteins, DNA, RNA), all of which are freely accessible via the Internet. Knowledge of the 3D structure of the gene product can help in understanding its function and role in disease. Of particular interest in the PDB archive are proteins for which 3D structures of genetic variant proteins have been determined, thus revealing atomic-level structural differences caused by the variation at the DNA level. Herein, we present a systematic and qualitative analysis of such cases. We observe a wide range of structural and functional changes caused by single amino acid differences, including changes in enzyme activity, aggregation propensity, structural stability, binding, and dissociation, some in the context of large assemblies. Structural comparison of wild type and mutated proteins, when both are available, provide insights into atomic-level structural differences caused by the genetic variation. PMID:28296894

Structural analysis of the receptor binding domain of botulinum neurotoxin serotype D

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

Zhang, Yanfeng; Buchko, Garry W.; Qin, Lin

2010-10-28

Botulinum neurotoxins (BoNTs) are the most toxic proteins known. The mechanism for entry into neuronal cells for serotypes A, B, E, F, and G involves a well understood dual receptor (protein and ganglioside) process, however, the mechanism of entry for serotypes C and D remains unclear. To provide structural insights into how BoNT/D enters neuronal cells, the crystal structure of the receptor binding domain (S863-E1276) for this serotype (BoNT/D-HCR) was determined at 1.65 Å resolution. While BoNT/D-HCR adopts an overall fold similar to that observed in other known BoNT HCRs, several major structural differences are present. These structural differences aremore » located at, or near, putative receptor binding sites and may be responsible for BoNT/D host preferences. Two loops, S1195-I1204 and K1236-N1244, located on both sides of the putative protein receptor binding pocket, are displaced >10 Å relative to the corresponding residues in the crystal structures of BoNT/B and G. Obvious clashes were observed in the putative protein receptor binding site when the BoNT/B protein receptor synaptotagmin II was modeled into the BoNT/D-HCR structure. Although a ganglioside binding site has never been unambiguously identified in BoNT/D-HCR, a shallow cavity in an analogous location to the other BoNT serotypes HCR domains is observed in BoNT/D-HCR that has features compatible with membrane binding. A portion of a loop near the putative receptor binding site, K1236-N1244, is hydrophobic and solvent-exposed and may directly bind membrane lipids. Liposome-binding experiments with BoNT/D-HCR demonstrate that this membrane lipid may be phosphatidylethanolamine.« less

Structural Analysis of the Receptor Binding Domain of Botulinum Neurotoxin Serotype D

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

Y Zhang; G Buchko; L Qin

2011-12-31

Botulinum neurotoxins (BoNTs) are the most toxic proteins known. The mechanism for entry into neuronal cells for serotypes A, B, E, F, and G involves a well understood dual receptor (protein and ganglioside) process, however, the mechanism of entry for serotypes C and D remains unclear. To provide structural insights into how BoNT/D enters neuronal cells, the crystal structure of the receptor binding domain (S863-E1276) for this serotype (BoNT/D-HCR) was determined at 1.65{angstrom} resolution. While BoNT/D-HCR adopts an overall fold similar to that observed in other known BoNT HCRs, several major structural differences are present. These structural differences are locatedmore » at, or near, putative receptor binding sites and may be responsible for BoNT/D host preferences. Two loops, S1195-I1204 and K1236-N1244, located on both sides of the putative protein receptor binding pocket, are displaced >10{angstrom} relative to the corresponding residues in the crystal structures of BoNT/B and G. Obvious clashes were observed in the putative protein receptor binding site when the BoNT/B protein receptor synaptotagmin II was modeled into the BoNT/D-HCR structure. Although a ganglioside binding site has never been unambiguously identified in BoNT/D-HCR, a shallow cavity in an analogous location to the other BoNT serotypes HCR domains is observed in BoNT/D-HCR that has features compatible with membrane binding. A portion of a loop near the putative receptor binding site, K1236-N1244, is hydrophobic and solvent-exposed and may directly bind membrane lipids. Liposome-binding experiments with BoNT/D-HCR demonstrate that this membrane lipid may be phosphatidylethanolamine.« less

Predicting structures in the Zone of Avoidance

NASA Astrophysics Data System (ADS)

Sorce, Jenny G.; Colless, Matthew; Kraan-Korteweg, Renée C.; Gottlöber, Stefan

2017-11-01

The Zone of Avoidance (ZOA), whose emptiness is an artefact of our Galaxy dust, has been challenging observers as well as theorists for many years. Multiple attempts have been made on the observational side to map this region in order to better understand the local flows. On the theoretical side, however, this region is often simply statistically populated with structures but no real attempt has been made to confront theoretical and observed matter distributions. This paper takes a step forward using constrained realizations (CRs) of the local Universe shown to be perfect substitutes of local Universe-like simulations for smoothed high-density peak studies. Far from generating completely `random' structures in the ZOA, the reconstruction technique arranges matter according to the surrounding environment of this region. More precisely, the mean distributions of structures in a series of constrained and random realizations (RRs) differ: while densities annihilate each other when averaging over 200 RRs, structures persist when summing 200 CRs. The probability distribution function of ZOA grid cells to be highly overdense is a Gaussian with a 15 per cent mean in the random case, while that of the constrained case exhibits large tails. This implies that areas with the largest probabilities host most likely a structure. Comparisons between these predictions and observations, like those of the Puppis 3 cluster, show a remarkable agreement and allow us to assert the presence of the, recently highlighted by observations, Vela supercluster at about 180 h-1 Mpc, right behind the thickest dust layers of our Galaxy.

Tuning reactivity of diphenylpropynone derivatives with metal-associated amyloid-β species via structural modifications.

PubMed

Liu, Yuzhong; Kochi, Akiko; Pithadia, Amit S; Lee, Sanghyun; Nam, Younwoo; Beck, Michael W; He, Xiaoming; Lee, Dongkuk; Lim, Mi Hee

2013-07-15

A diphenylpropynone derivative, DPP2, has been recently demonstrated to target metal-associated amyloid-β (metal-Aβ) species implicated in Alzheimer's disease (AD). DPP2 was shown to interact with metal-Aβ species and subsequently control Aβ aggregation (reactivity) in vitro; however, its cytotoxicity has limited further biological applications. In order to improve reactivity toward Aβ species and lower cytotoxicity, along with gaining an understanding of a structure-reactivity-cytotoxicity relationship, we designed, prepared, and characterized a series of small molecules (C1/C2, P1/P2, and PA1/PA2) as structurally modified DPP2 analogues. A similar metal binding site to that of DPP2 was contained in these compounds while their structures were varied to afford different interactions and reactivities with metal ions, Aβ species, and metal-Aβ species. Distinct reactivities of our chemical family toward in vitro Aβ aggregation in the absence and presence of metal ions were observed. Among our chemical series, the compound (C2) with a relatively rigid backbone and a dimethylamino group was observed to noticeably regulate both metal-free and metal-mediated Aβ aggregation to different extents. Using our compounds, cell viability was significantly improved, compared to that with DPP2. Lastly, modifications on the DPP framework maintained the structural properties for potential blood-brain barrier (BBB) permeability. Overall, our studies demonstrated that structural variations adjacent to the metal binding site of DPP2 could govern different metal binding properties, interactions with Aβ and metal-Aβ species, reactivity toward metal-free and metal-induced Aβ aggregation, and cytotoxicity of the compounds, establishing a structure-reactivity-cytotoxicity relationship. This information could help gain insight into structural optimization for developing nontoxic chemical reagents toward targeting metal-Aβ species and modulating their reactivity in biological systems.

CHIMERA: Top-down model for hierarchical, overlapping and directed cluster structures in directed and weighted complex networks

NASA Astrophysics Data System (ADS)

Franke, R.

2016-11-01

In many networks discovered in biology, medicine, neuroscience and other disciplines special properties like a certain degree distribution and hierarchical cluster structure (also called communities) can be observed as general organizing principles. Detecting the cluster structure of an unknown network promises to identify functional subdivisions, hierarchy and interactions on a mesoscale. It is not trivial choosing an appropriate detection algorithm because there are multiple network, cluster and algorithmic properties to be considered. Edges can be weighted and/or directed, clusters overlap or build a hierarchy in several ways. Algorithms differ not only in runtime, memory requirements but also in allowed network and cluster properties. They are based on a specific definition of what a cluster is, too. On the one hand, a comprehensive network creation model is needed to build a large variety of benchmark networks with different reasonable structures to compare algorithms. On the other hand, if a cluster structure is already known, it is desirable to separate effects of this structure from other network properties. This can be done with null model networks that mimic an observed cluster structure to improve statistics on other network features. A third important application is the general study of properties in networks with different cluster structures, possibly evolving over time. Currently there are good benchmark and creation models available. But what is left is a precise sandbox model to build hierarchical, overlapping and directed clusters for undirected or directed, binary or weighted complex random networks on basis of a sophisticated blueprint. This gap shall be closed by the model CHIMERA (Cluster Hierarchy Interconnection Model for Evaluation, Research and Analysis) which will be introduced and described here for the first time.

Development of solar flares and features of the fine structure of solar radio emission

NASA Astrophysics Data System (ADS)

Chernov, G. P.; Fomichev, V. V.; Yan, Y.; Tan, B.; Tan, Ch.; Fu, Q.

2017-11-01

The reason for the occurrence of different elements of the fine structure of solar radio bursts in the decimeter and centimeter wavelength ranges has been determined based on all available data from terrestrial and satellite observations. In some phenomena, fast pulsations, a zebra structre, fiber bursts, and spikes have been observed almost simultaneously. Two phenomena have been selected to show that the pulsations of radio emission are caused by particles accelerated in the magnetic reconnection region and that the zebra structure is excited in a source, such as a magnetic trap for fast particles. The complex combination of unusual fiber bursts, zebra structure, and spikes in the phenomenon on December 1, 2004, is associated with a single source, a magnetic island formed after a coronal mass ejection.

Magnetically-induced ferroelectricity in the (ND4)2[FeCl5(D2O)] molecular compound

PubMed Central

Alberto Rodríguez-Velamazán, José; Fabelo, Óscar; Millán, Ángel; Campo, Javier; Johnson, Roger D.; Chapon, Laurent

2015-01-01

The number of magnetoelectric multiferroic materials reported to date is scarce, as magnetic structures that break inversion symmetry and induce an improper ferroelectric polarization typically arise through subtle competition between different magnetic interactions. The (NH4)2[FeCl5(H2O)] compound is a rare case where such improper ferroelectricity has been observed in a molecular material. We have used single crystal and powder neutron diffraction to obtain detailed solutions for the crystal and magnetic structures of (NH4)2[FeCl5(H2O)], from which we determined the mechanism of multiferroicity. From the crystal structure analysis, we observed an order-disorder phase transition related to the ordering of the ammonium counterion. We have determined the magnetic structure below TN, at 2 K and zero magnetic field, which corresponds to a cycloidal spin arrangement with magnetic moments contained in the ac-plane, propagating parallel to the c-axis. The observed ferroelectricity can be explained, from the obtained magnetic structure, via the inverse Dzyaloshinskii-Moriya mechanism. PMID:26417890

Disappearance of dielectric anomaly in spite of presence of structural phase transition in reduced BaTiO3: Effect of defect states within the bandgap

NASA Astrophysics Data System (ADS)

Sagdeo, Archna; Nagwanshi, Anjali; Pokhriyal, Preeti; Sinha, A. K.; Rajput, Parasmani; Mishra, Vikash; Sagdeo, P. R.

2018-04-01

We report the structural, optical, ferroelectric, and dielectric properties of reduced BaTiO3 samples. For this purpose, oxygen vacancies in BaTiO3 are created by heating these samples with a Ti metal in a vacuum environment at different temperatures. It is observed that with an increase in oxygen deficiencies, the c/a ratio decreases as compared to that of the oxygen treated sample. The ferroelectric properties of the oxygen deficient samples are visibly different as compared to those of the oxygen treated sample. The disappearance of the P-E loop and the anomaly in the temperature variation of the dielectric constant have been observed; however, the structural phase transition corresponding to ferroelectric phase transitions still persists. Thus, it appears that the anomaly in dielectric data and the presence of the P-E loop are getting masked possibly by the Maxwell-Wagner effect. The presence of Ti+3 states in the prepared samples has been confirmed by X-ray absorption near edge structure measurements. The Kubelka-Munk optical absorption shows the presence of extra states below fundamental transition, indicating the emergence of new electronic states within the bandgap, which might be due to Ti+3 states. These new states appear at different energy positions, and with different intensities for different samples, which are reduced in the presence of Ti. These new states within the bandgap appear to modify the electronic structure, thereby reducing the overall bandgap, and hence, they seem to modify the ferroelectric and dielectric properties of the samples. Our results may be treated as experimental evidence for theoretically proposed defect states in oxygen deficient or reduced BaTiO3.

Emerging optical properties from the combination of simple optical effects

NASA Astrophysics Data System (ADS)

England, Grant T.; Aizenberg, Joanna

2018-01-01

Structural color arises from the patterning of geometric features or refractive indices of the constituent materials on the length-scale of visible light. Many different organisms have developed structurally colored materials as a means of creating multifunctional structures or displaying colors for which pigments are unavailable. By studying such organisms, scientists have developed artificial structurally colored materials that take advantage of the hierarchical geometries, frequently employed for structural coloration in nature. These geometries can be combined with absorbers—a strategy also found in many natural organisms—to reduce the effects of fabrication imperfections. Furthermore, artificial structures can incorporate materials that are not available to nature—in the form of plasmonic nanoparticles or metal layers—leading to a host of novel color effects. Here, we explore recent research involving the combination of different geometries and materials to enhance the structural color effect or to create entirely new effects, which cannot be observed otherwise.

The Implications of 3D Thermal Structure on 1D Atmospheric Retrieval

NASA Astrophysics Data System (ADS)

Blecic, Jasmina; Dobbs-Dixon, Ian; Greene, Thomas

2017-10-01

Using the atmospheric structure from a 3D global radiation-hydrodynamic simulation of HD 189733b and the open-source Bayesian Atmospheric Radiative Transfer (BART) code, we investigate the difference between the secondary-eclipse temperature structure produced with a 3D simulation and the best-fit 1D retrieved model. Synthetic data are generated by integrating the 3D models over the Spitzer, the Hubble Space Telescope (HST), and the James Web Space Telescope (JWST) bandpasses, covering the wavelength range between 1 and 11 μm where most spectroscopically active species have pronounced features. Using the data from different observing instruments, we present detailed comparisons between the temperature-pressure profiles recovered by BART and those from the 3D simulations. We calculate several averages of the 3D thermal structure and explore which particular thermal profile matches the retrieved temperature structure. We implement two temperature parameterizations that are commonly used in retrieval to investigate different thermal profile shapes. To assess which part of the thermal structure is best constrained by the data, we generate contribution functions for our theoretical model and each of our retrieved models. Our conclusions are strongly affected by the spectral resolution of the instruments included, their wavelength coverage, and the number of data points combined. We also see some limitations in each of the temperature parametrizations, as they are not able to fully match the complex curvatures that are usually produced in hydrodynamic simulations. The results show that our 1D retrieval is recovering a temperature and pressure profile that most closely matches the arithmetic average of the 3D thermal structure. When we use a higher resolution, more data points, and a parametrized temperature profile that allows more flexibility in the middle part of the atmosphere, we find a better match between the retrieved temperature and pressure profile and the arithmetic average. The Spitzer and HST simulated observations sample deep parts of the planetary atmosphere and provide fewer constraints on the temperature and pressure profile, while the JWST observations sample the middle part of the atmosphere, providing a good match with the middle and most complex part of the arithmetic average of the 3D temperature structure.

Linking Microbial Community and Catabolic Gene Structures during the Adaptation of Three Contaminated Soils under Continuous Long-Term Pollutant Stress

PubMed Central

Lima-Morales, Daiana; Jáuregui, Ruy; Camarinha-Silva, Amelia; Geffers, Robert; Vilchez-Vargas, Ramiro

2016-01-01

Three types of contaminated soil from three geographically different areas were subjected to a constant supply of benzene or benzene/toluene/ethylbenzene/xylenes (BTEX) for a period of 3 months. Different from the soil from Brazil (BRA) and Switzerland (SUI), the Czech Republic (CZE) soil which was previously subjected to intensive in situ bioremediation displayed only negligible changes in community structure. BRA and SUI soil samples showed a clear succession of phylotypes. A rapid response to benzene stress was observed, whereas the response to BTEX pollution was significantly slower. After extended incubation, actinobacterial phylotypes increased in relative abundance, indicating their superior fitness to pollution stress. Commonalities but also differences in the phylotypes were observed. Catabolic gene surveys confirmed the enrichment of actinobacteria by identifying the increase of actinobacterial genes involved in the degradation of pollutants. Proteobacterial phylotypes increased in relative abundance in SUI microcosms after short-term stress with benzene, and catabolic gene surveys indicated enriched metabolic routes. Interestingly, CZE soil, despite staying constant in community structure, showed a change in the catabolic gene structure. This indicates that a highly adapted community, which had to adjust its gene pool to meet novel challenges, has been enriched. PMID:26850298

The structure of myristoylated Mason-Pfizer monkey virus matrix protein and the role of phosphatidylinositol-(4,5)-bisphosphate in its membrane binding.

PubMed

Prchal, Jan; Srb, Pavel; Hunter, Eric; Ruml, Tomáš; Hrabal, Richard

2012-10-26

We determined the solution structure of myristoylated Mason-Pfizer monkey virus matrix protein by NMR spectroscopy. The myristoyl group is buried inside the protein and causes a slight reorientation of the helices. This reorientation leads to the creation of a binding site for phosphatidylinositols. The interaction between the matrix protein and phosphatidylinositols carrying C(8) fatty acid chains was monitored by observation of concentration-dependent chemical shift changes of the affected amino acid residues, a saturation transfer difference experiment and changes in (31)P chemical shifts. No differences in the binding mode or affinity were observed with differently phosphorylated phosphatidylinositols. The structure of the matrix protein-phosphatidylinositol-(4,5)-bisphosphate [PI(4,5)P(2)] complex was then calculated with HADDOCK software based on the intermolecular nuclear Overhauser enhancement contacts between the ligand and the matrix protein obtained from a (13)C-filtered/(13)C-edited nuclear Overhauser enhancement spectroscopy experiment. PI(4,5)P(2) binding was not strong enough for triggering of the myristoyl-switch. The structural changes of the myristoylated matrix protein were also found to result in a drop in the oligomerization capacity of the protein. Copyright © 2012. Published by Elsevier Ltd.

Effects of Artificial Ligaments with Different Porous Structures on the Migration of BMSCs

PubMed Central

Wang, Chun-Hui; Hou, Wei; Yan, Ming; Guo, Zhong-shang; Wu, Qi; Bi, Long; Han, Yi-Sheng

2015-01-01

Polyethylene terephthalate- (PET-) based artificial ligaments (PET-ALs) are commonly used in anterior cruciate ligament (ACL) reconstruction surgery. The effects of different porous structures on the migration of bone marrow mesenchymal stem cells (BMSCs) on artificial ligaments and the underlying mechanisms are unclear. In this study, a cell migration model was utilized to observe the migration of BMSCs on PET-ALs with different porous structures. A rabbit extra-articular graft-to-bone healing model was applied to investigate the in vivo effects of four types of PET-ALs, and a mechanical test and histological observation were performed at 4 weeks and 12 weeks. The BMSC migration area of the 5A group was significantly larger than that of the other three groups. The migration of BMSCs in the 5A group was abolished by blocking the RhoA/ROCK signaling pathway with Y27632. The in vivo study demonstrated that implantation of 5A significantly improved osseointegration. Our study explicitly demonstrates that the migration ability of BMSCs can be regulated by varying the porous structures of the artificial ligaments and suggests that this regulation is related to the RhoA/ROCK signaling pathway. Artificial ligaments prepared using a proper knitting method and line density may exhibit improved biocompatibility and clinical performance. PMID:26106429

Comparative morphology of the axial complex and interdependence of internal organ systems in sea urchins (Echinodermata: Echinoidea).

PubMed

Ziegler, Alexander; Faber, Cornelius; Bartolomaeus, Thomas

2009-06-09

The axial complex of echinoderms (Echinodermata) is composed of various primary and secondary body cavities that interact with each other. In sea urchins (Echinoidea), structural differences of the axial complex in "regular" and irregular species have been observed, but the reasons underlying these differences are not fully understood. In addition, a better knowledge of axial complex diversity could not only be useful for phylogenetic inferences, but improve also an understanding of the function of this enigmatic structure. We therefore analyzed numerous species of almost all sea urchin orders by magnetic resonance imaging, dissection, histology, and transmission electron microscopy and compared the results with findings from published studies spanning almost two centuries. These combined analyses demonstrate that the axial complex is present in all sea urchin orders and has remained structurally conserved for a long time, at least in the "regular" species. Within the Irregularia, a considerable morphological variation of the axial complex can be observed with gradual changes in topography, size, and internal architecture. These modifications are related to the growing size of the gastric caecum as well as to the rearrangement of the morphology of the digestive tract as a whole. The structurally most divergent axial complex can be observed in the highly derived Atelostomata in which the reorganization of the digestive tract is most pronounced. Our findings demonstrate a structural interdependence of various internal organs, including digestive tract, mesenteries, and the axial complex.

The Three-part Structure of a Filament-unrelated Solar Coronal Mass Ejection

NASA Astrophysics Data System (ADS)

Song, H. Q.; Cheng, X.; Chen, Y.; Zhang, J.; Wang, B.; Li, L. P.; Li, B.; Hu, Q.; Li, G.

2017-10-01

Coronal mass ejections (CMEs) often exhibit the typical three-part structure in the corona when observed with white-light coronagraphs, I.e., the bright leading front, dark cavity, and bright core, corresponding to a high-low-high density sequence. As CMEs result from eruptions of magnetic flux ropes (MFRs), which can possess either lower (e.g., coronal-cavity MFRs) or higher (e.g., hot-channel MFRs) density compared to their surroundings in the corona, the traditional opinion regards the three-part structure as the manifestations of coronal plasma pileup (high density), coronal-cavity MFR (low density), and filament (high density) contained in the trailing part of MFR, respectively. In this paper, we demonstrate that filament-unrelated CMEs can also exhibit the classical three-part structure. The observations were made from different perspectives through an event that occurred on 2011 October 4. The CME cavity corresponds to the low-density zone between the leading front and the high-density core, and it is obvious in the low corona and gradually becomes fuzzy when propagating outward. The bright core corresponds to a high-density structure that is suggested to be an erupting MFR. The MFR is recorded from both edge-on and face-on perspectives, exhibiting different morphologies that are due to projection effects. We stress that the zone (MFR) with lower (higher) density in comparison to the surroundings can appear as the dark cavity (bright core) when observed through white-light coronagraphs, which is not necessarily the coronal-cavity MFR (erupted filament).

Resistive switching characteristic of electrolyte-oxide-semiconductor structures

NASA Astrophysics Data System (ADS)

Chen, Xiaoyu; Wang, Hao; Sun, Gongchen; Ma, Xiaoyu; Gao, Jianguang; Wu, Wengang

2017-08-01

The resistive switching characteristic of SiO2 thin film in electrolyte-oxide-semiconductor (EOS) structures under certain bias voltage is reported. To analyze the mechanism of the resistive switching characteristic, a batch of EOS structures were fabricated under various conditions and their electrical properties were measured with a set of three-electrode systems. A theoretical model based on the formation and rupture of conductive filaments in the oxide layer is proposed to reveal the mechanism of the resistive switching characteristic, followed by an experimental investigation of Auger electron spectroscopy (AES) and secondary ion mass spectroscopy (SIMS) to verify the proposed theoretical model. It is found that different threshold voltage, reverse leakage current and slope value features of the switching I-V characteristic can be observed in different EOS structures with different electrolyte solutions as well as different SiO2 layers made by different fabrication processes or in different thicknesses. With a simple fabrication process and significant resistive switching characteristic, the EOS structures show great potential for chemical/biochemical applications. Project supported by the National Natural Science Foundation of China (No. 61274116) and the National Basic Research Program of China (No. 2015CB352100).

Structural transition and amorphization in compressed α - Sb 2 O 3

DOE PAGES

Zhao, Zhao; Zeng, Qiaoshi; Zhang, Haijun; ...

2015-05-27

Sb₂O₃-based materials are of broad interest in materials science and industry. High-pressure study using diamond anvil cells shows promise in obtaining new crystal and electronic structures different from their pristine states. Here, we conducted in situ angle dispersive synchrotron x-ray-diffraction and Raman spectroscopy experiments on α-Sb₂O₃ up to 50 GPa with neon as the pressure transmitting medium. A first-order structural transition was observed in between 15 and 20 GPa, where the cubic phase I gradually transformed into a layered tetragonal phase II through structural distortion and symmetry breaking. To explain the dramatic changes in sample color and transparency, we performedmore » first-principles calculations to track the evolution of its density of states and electronic structure under pressure. At higher pressure, a sluggish amorphization was observed. Our results highlight the structural connections among the sesquioxides, where the lone electron pair plays an important role in determining the local structures.« less

Using Concept Maps to Monitor Knowledge Structure Changes in a Science Classroom

NASA Astrophysics Data System (ADS)

Cook, Leah J.

The aim of this research is to determine what differences may exist in students' structural knowledge while using a variety of concept mapping assessments. A concept map can be used as an assessment which connects concepts in a knowledge domain. A single assessment may not be powerful enough to establish how students' new knowledge relates to prior knowledge. More research is needed to establish how various aspects of the concept mapping task influence the output of map creation by students. Using multiple concept maps and pre-instruction and post-instruction VNOS instruments during a 16-week semester, this study was designed to investigate the impact of concept map training and the impact of assessment design on the created maps. Also, this study was designed to determine what differences can be observed between expert and novice maps and if similarities and differences exist between concept maps and an open-ended assessment. Participants created individual maps and the maps were analyzed for structural complexity, overall structure, and content. The concept maps were then compared by their timing, design, and scores. The results indicate that concept mapping training does significantly impact the shape and structure complexity of the map created by students. Additionally, these data support that students should be frequently reminded of appropriate concept mapping skills and opportunities so that good mapping skills will be utilized. Changing the assessment design does appear to be able to impact the overall structure and complexity of created maps, while narrowing the content focus of the map does not necessarily restrict the overall structure or the complexity. Furthermore, significant differences in structural complexity were observed between novice and expert mappers. The fluctuations of NOS concepts identified in student created maps may suggest why some students were still confused or had incorrect conceptions of NOS, despite explicit and reflective instruction throughout the semester.

Theoretical prediction and direct observation of the 9R structure in Ag

NASA Astrophysics Data System (ADS)

Ernst, F.; Finnis, M. W.; Hofmann, D.; Muschik, T.; Schönberger, U.; Wolf, U.; Methfessel, M.

1992-07-01

Molecular-dynamics simulations of the Σ3<110>(211) twin boundary in Ag predict a thin (1 nm) boundary phase of the 9R (α-Sm) structure. High-resolution electron microscopy shows the presence of the predicted structure. We also calculate the energy ab initio for several hypothetical structures of Cu and Ag. Low energies of the 9R structure and other polytypes, low experimental stacking-fault energies, and the hcp-fcc energy difference are correlated and explained in terms of an effective nearest-neighbor Ising interaction.

Is there a seamount effect on microbial community structure and biomass? The case study of Seine and Sedlo seamounts (northeast Atlantic).

PubMed

Mendonça, Ana; Arístegui, Javier; Vilas, Juan Carlos; Montero, Maria Fernanda; Ojeda, Alicia; Espino, Minerva; Martins, Ana

2012-01-01

Seamounts are considered to be "hotspots" of marine life but, their role in oceans primary productivity is still under discussion. We have studied the microbial community structure and biomass of the epipelagic zone (0-150 m) at two northeast Atlantic seamounts (Seine and Sedlo) and compared those with the surrounding ocean. Results from two cruises to Sedlo and three to Seine are presented. Main results show large temporal and spatial microbial community variability on both seamounts. Both Seine and Sedlo heterotrophic community (abundance and biomass) dominate during winter and summer months, representing 75% (Sedlo, July) to 86% (Seine, November) of the total plankton biomass. In Seine, during springtime the contribution to total plankton biomass is similar (47% autotrophic and 53% heterotrophic). Both seamounts present an autotrophic community structure dominated by small cells (nano and picophytoplankton). It is also during spring that a relatively important contribution (26%) of large cells to total autotrophic biomass is found. In some cases, a "seamount effect" is observed on Seine and Sedlo microbial community structure and biomass. In Seine this is only observed during spring through enhancement of large autotrophic cells at the summit and seamount stations. In Sedlo, and despite the observed low biomasses, some clear peaks of picoplankton at the summit or at stations within the seamount area are also observed during summer. Our results suggest that the dominance of heterotrophs is presumably related to the trapping effect of organic matter by seamounts. Nevertheless, the complex circulation around both seamounts with the presence of different sources of mesoscale variability (e.g. presence of meddies, intrusion of African upwelling water) may have contributed to the different patterns of distribution, abundances and also changes observed in the microbial community.

Time Delays of Blazar Flares Observed at Different Wavebands

NASA Technical Reports Server (NTRS)

Marscher, Alan P.

2000-01-01

Correlated variability at different frequencies can probe the structure and physics of the jet of a blazar on size scales much smaller than can be resolved by telescopes and interferometers. I discuss some observations of frequency dependent time lags and how these place constraints on models for the nonthermal emission in blazars. The time lags can be either positive (high frequency variations leading those at lower frequencies) or negative, while simultaneous flares are also possible.

Constraint factor in optimization of truss structures via flower pollination algorithm

NASA Astrophysics Data System (ADS)

Bekdaş, Gebrail; Nigdeli, Sinan Melih; Sayin, Baris

2017-07-01

The aim of the paper is to investigate the optimum design of truss structures by considering different stress and displacement constraints. For that reason, the flower pollination algorithm based methodology was applied for sizing optimization of space truss structures. Flower pollination algorithm is a metaheuristic algorithm inspired by the pollination process of flowering plants. By the imitation of cross-pollination and self-pollination processes, the randomly generation of sizes of truss members are done in two ways and these two types of optimization are controlled with a switch probability. In the study, a 72 bar space truss structure was optimized by using five different cases of the constraint limits. According to the results, a linear relationship between the optimum structure weight and constraint limits was observed.

Structural analysis of commercial ceramides by gas chromatography-mass spectrometry.

PubMed

Bleton, J; Gaudin, K; Chaminade, P; Goursaud, S; Baillet, A; Tchapla, A

2001-05-11

A simple method using gas chromatography-mass spectrometry was applied to analyse structures of ceramides. Identification of trimethylsilylated ceramides were obtained in short analysis times (derivatization of ceramides in 30 min at room temperature and 20 min gas chromatography mass spectrometry run) even for complex mixtures. For example in ceramide Type III, 18 peaks were observed which represent 27 various structures. The coeluted compounds were ceramides containing the same functional groups and the same carbon number but with a different distribution on the two alkyl chains of the molecule. They were accurately differentiated by mass spectrometry. Therefore, 83 structures of trimethylsilylated ceramides were identified in 11 different commercial mixtures. For 52 structures of these, mass spectral data were not described in the literature, neither full mass spectra nor characteristic fragments.

On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II).

PubMed

Chan, Eric J; Rae, A David; Welberry, T Richard

2009-08-01

A low-temperature structural phase transition has been observed for form (II) of benzocaine (BZC). Lowering the temperature doubles the b-axis repeat and changes the space group from P2(1)2(1)2(1) to P112(1) with gamma now 99.37 degrees. The structure is twinned, the twin rule corresponding to a 2(1) screw rotation parallel to a. The phase transition is associated with a sequential displacement parallel to a of zigzag bi-layers of ribbons perpendicular to b*. No similar phase transition was observed for form (I) and this was attributed to the different packing symmetries of the two room-temperature polymorphic forms.

Effect of iron doping on structural and microstructural properties of nanocrystalline ZnSnO3 thin films prepared by spray pyrolysis techniques

NASA Astrophysics Data System (ADS)

Pathan, Idris G.; Suryawanshi, Dinesh N.; Bari, Anil R.; Patil, Lalchand A.

2018-05-01

This work presents the effect of iron doping having different volume ratios (1 ml, 2.5 ml and 5 ml) on the structural, microstructural and electrical properties of zinc stannate thin films, prepared by spray pyrolysis method. These properties were characterized with X-ray diffraction (XRD) and Transmission Electron Microscope (TEM). In our study, XRD pattern indicates that ZnSnO3 has a perovskite phase with face exposed hexahedron structure. The electron diffraction fringes observed are in consistent with the peak observed in XRD patterns. Moreover the sensor reported in our study is cost-effective, user friendly and easy to fabricate.

Dust Density Distribution and Imaging Analysis of Different Ice Lines in Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Pinilla, P.; Pohl, A.; Stammler, S. M.; Birnstiel, T.

2017-08-01

Recent high angular resolution observations of protoplanetary disks at different wavelengths have revealed several kinds of structures, including multiple bright and dark rings. Embedded planets are the most used explanation for such structures, but there are alternative models capable of shaping the dust in rings as it has been observed. We assume a disk around a Herbig star and investigate the effect that ice lines have on the dust evolution, following the growth, fragmentation, and dynamics of multiple dust size particles, covering from 1 μm to 2 m sized objects. We use simplified prescriptions of the fragmentation velocity threshold, which is assumed to change radially at the location of one, two, or three ice lines. We assume changes at the radial location of main volatiles, specifically H2O, CO2, and NH3. Radiative transfer calculations are done using the resulting dust density distributions in order to compare with current multiwavelength observations. We find that the structures in the dust density profiles and radial intensities at different wavelengths strongly depend on the disk viscosity. A clear gap of emission can be formed between ice lines and be surrounded by ring-like structures, in particular between the H2O and CO2 (or CO). The gaps are expected to be shallower and narrower at millimeter emission than at near-infrared, opposite to model predictions of particle trapping. In our models, the total gas surface density is not expected to show strong variations, in contrast to other gap-forming scenarios such as embedded giant planets or radial variations of the disk viscosity.

Understanding Fracturing and Alteration at ODP Borehole 504B: 3D Seismic Structure and Anisotropy of 5.9 Ma Oceanic Crust

NASA Astrophysics Data System (ADS)

Gregory, E. P. M.; Hobbs, R. W.; Peirce, C.; Wilson, D. J.; Zhang, L.

2016-12-01

Faults and fracture networks within the oceanic crust influence the pattern of hydrothermal circulation. This circulation changes the primary composition and structure of the crust as it evolves, particularly the upper crust (layer 2), through the secondary alteration of minerals and the infilling and 'sealing' of cracks. Processes influencing the extent and the depth within the crust of these changes are currently not well known. Alteration can be quantified by observing changes in the seismic velocity structure of the crust, and analysis of seismic anisotropy within the upper crust reveals the nature of ridge-parallel aligned faults and fractures. Here we show a 3D P-wave velocity model and anisotropy maps for 5.9 Ma crust at ODP borehole 504B, situated 200 km south of the Costa Rica Rift, derived from an active-source wide-angle seismic survey in the Panama Basin conducted in 2015. The seismic structure reveals relatively homogeneous, 5 km thick oceanic crust with upper crustal velocity boundaries occurring coincident with alteration fronts observed in 504B. Correlations between basement topography, velocity anomaly and anisotropy indicate that a distinct relationship between hydrothermal alteration, basement ridges, fractures, and the velocity structure of layer 2 exists in this location. A significant difference is seen in the velocity and anisotropic structure between regions to the east and west of the borehole, that correlates with patterns in heat flow observations and indicates that: 1) these two regions of crust have inherited differences in crustal fabric during accretion; and/or 2) different regimes of hydrothermal circulation have been active in each part of the crust as they have aged. This research is part of a major, interdisciplinary NERC-funded research collaboration entitled: Oceanographic and Seismic Characterisation of heat dissipation and alteration by hydrothermal fluids at an Axial Ridge (OSCAR).

Experimental investigation of large-scale vortices in a freely spreading gravity current

NASA Astrophysics Data System (ADS)

Yuan, Yeping; Horner-Devine, Alexander R.

2017-10-01

A series of laboratory experiments are presented to compare the dynamics of constant-source buoyant gravity currents propagating into laterally confined (channelized) and unconfined (spreading) environments. The plan-form structure of the spreading current and the vertical density and velocity structures on the interface are quantified using the optical thickness method and a combined particle image velocimetry and planar laser-induced fluorescence method, respectively. With lateral boundaries, the buoyant current thickness is approximately constant and Kelvin-Helmholtz instabilities are generated within the shear layer. The buoyant current structure is significantly different in the spreading case. As the current spreads laterally, nonlinear large-scale vortex structures are observed at the interface, which maintain a coherent shape as they propagate away from the source. These structures are continuously generated near the river mouth, have amplitudes close to the buoyant layer thickness, and propagate offshore at speeds approximately equal to the internal wave speed. The observed depth and propagation speed of the instabilities match well with the fastest growing mode predicted by linear stability analysis, but with a shorter wavelength. The spreading flows have much higher vorticity, which is aggregated within the large-scale structures. Secondary instabilities are generated on the leading edge of the braids between the large-scale vortex structures and ultimately break and mix on the lee side of the structures. Analysis of the vortex dynamics shows that lateral stretching intensifies the vorticity in the spreading currents, contributing to higher vorticity within the large-scale structures in the buoyant plume. The large-scale instabilities and vortex structures observed in the present study provide new insights into the origin of internal frontal structures frequently observed in coastal river plumes.

Same but not alike: Structure, flexibility and energetics of domains in multi-domain proteins are influenced by the presence of other domains

PubMed Central

Vishwanath, Sneha

2018-01-01

The majority of the proteins encoded in the genomes of eukaryotes contain more than one domain. Reasons for high prevalence of multi-domain proteins in various organisms have been attributed to higher stability and functional and folding advantages over single-domain proteins. Despite these advantages, many proteins are composed of only one domain while their homologous domains are part of multi-domain proteins. In the study presented here, differences in the properties of protein domains in single-domain and multi-domain systems and their influence on functions are discussed. We studied 20 pairs of identical protein domains, which were crystallized in two forms (a) tethered to other proteins domains and (b) tethered to fewer protein domains than (a) or not tethered to any protein domain. Results suggest that tethering of domains in multi-domain proteins influences the structural, dynamic and energetic properties of the constituent protein domains. 50% of the protein domain pairs show significant structural deviations while 90% of the protein domain pairs show differences in dynamics and 12% of the residues show differences in the energetics. To gain further insights on the influence of tethering on the function of the domains, 4 pairs of homologous protein domains, where one of them is a full-length single-domain protein and the other protein domain is a part of a multi-domain protein, were studied. Analyses showed that identical and structurally equivalent functional residues show differential dynamics in homologous protein domains; though comparable dynamics between in-silico generated chimera protein and multi-domain proteins were observed. From these observations, the differences observed in the functions of homologous proteins could be attributed to the presence of tethered domain. Overall, we conclude that tethered domains in multi-domain proteins not only provide stability or folding advantages but also influence pathways resulting in differences in function or regulatory properties. PMID:29432415

Determinants of the spatiotemporal dynamics of the 2009 H1N1 pandemic in Europe: implications for real-time modelling.

PubMed

Merler, Stefano; Ajelli, Marco; Pugliese, Andrea; Ferguson, Neil M

2011-09-01

Influenza pandemics in the last century were characterized by successive waves and differences in impact and timing between different regions, for reasons not clearly understood. The 2009 H1N1 pandemic showed rapid global spread, but with substantial heterogeneity in timing within each hemisphere. Even within Europe substantial variation was observed, with the UK being unique in experiencing a major first wave of transmission in early summer and all other countries having a single major epidemic in the autumn/winter, with a West to East pattern of spread. Here we show that a microsimulation model, parameterised using data about H1N1pdm collected by the beginning of June 2009, explains the occurrence of two waves in UK and a single wave in the rest of Europe as a consequence of timing of H1N1pdm spread, fluxes of travels from US and Mexico, and timing of school vacations. The model provides a description of pandemic spread through Europe, depending on intra-European mobility patterns and socio-demographic structure of the European populations, which is in broad agreement with observed timing of the pandemic in different countries. Attack rates are predicted to depend on the socio-demographic structure, with age dependent attack rates broadly agreeing with available serological data. Results suggest that the observed heterogeneity can be partly explained by the between country differences in Europe: marked differences in school calendars, mobility patterns and sociodemographic structures. Moreover, higher susceptibility of children to infection played a key role in determining the epidemiology of the 2009 pandemic. Our work shows that it would have been possible to obtain a broad-brush prediction of timing of the European pandemic well before the autumn of 2009, much more difficult to achieve with simpler models or pre-pandemic parameterisation. This supports the use of models accounting for the structure of complex modern societies for giving insight to policy makers.

Same but not alike: Structure, flexibility and energetics of domains in multi-domain proteins are influenced by the presence of other domains.

PubMed

Vishwanath, Sneha; de Brevern, Alexandre G; Srinivasan, Narayanaswamy

2018-02-01

The majority of the proteins encoded in the genomes of eukaryotes contain more than one domain. Reasons for high prevalence of multi-domain proteins in various organisms have been attributed to higher stability and functional and folding advantages over single-domain proteins. Despite these advantages, many proteins are composed of only one domain while their homologous domains are part of multi-domain proteins. In the study presented here, differences in the properties of protein domains in single-domain and multi-domain systems and their influence on functions are discussed. We studied 20 pairs of identical protein domains, which were crystallized in two forms (a) tethered to other proteins domains and (b) tethered to fewer protein domains than (a) or not tethered to any protein domain. Results suggest that tethering of domains in multi-domain proteins influences the structural, dynamic and energetic properties of the constituent protein domains. 50% of the protein domain pairs show significant structural deviations while 90% of the protein domain pairs show differences in dynamics and 12% of the residues show differences in the energetics. To gain further insights on the influence of tethering on the function of the domains, 4 pairs of homologous protein domains, where one of them is a full-length single-domain protein and the other protein domain is a part of a multi-domain protein, were studied. Analyses showed that identical and structurally equivalent functional residues show differential dynamics in homologous protein domains; though comparable dynamics between in-silico generated chimera protein and multi-domain proteins were observed. From these observations, the differences observed in the functions of homologous proteins could be attributed to the presence of tethered domain. Overall, we conclude that tethered domains in multi-domain proteins not only provide stability or folding advantages but also influence pathways resulting in differences in function or regulatory properties.

Architecture of Columnar Nacre, and Implications for Its Formation Mechanism

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

Metzler, Rebecca A.; Olabisi, Ronke M.; Coppersmith, Susan N.

2007-06-29

We analyze the structure of Haliotis rufescens nacre, or mother-of-pearl, using synchrotron spectromicroscopy and x-ray absorption near-edge structure spectroscopy. We observe imaging contrast between adjacent individual nacre tablets, arising because different tablets have different crystal orientations with respect to the radiation's polarization vector. Comparing previous data and our new data with models for columnar nacre growth, we find the data are most consistent with a model in which nacre tablets are nucleated by randomly distributed sites in the organic matrix layers.

Effects of interplanetary magnetic clouds, interaction regions, and high-speed streams on the transient modulation of galactic cosmic rays

NASA Astrophysics Data System (ADS)

Singh, Y. P.; Badruddin

2007-02-01

Interplanetary manifestations of coronal mass ejections (CMEs) with specific plasma and field properties, called ``interplanetary magnetic clouds,'' have been observed in the heliosphere since the mid-1960s. Depending on their associated features, a set of observed magnetic clouds identified at 1 AU were grouped in four different classes using data over 4 decades: (1) interplanetary magnetic clouds moving with the ambient solar wind (MC structure), (2) magnetic clouds moving faster than the ambient solar wind and forming a shock/sheath structure of compressed plasma and field ahead of it (SMC structure), (3) magnetic clouds ``pushed'' by the high-speed streams from behind, forming an interaction region between the two (MIH structure), and (4) shock-associated magnetic clouds followed by high-speed streams (SMH structure). This classification into different groups led us to study the role, effect, and the relative importance of (1) closed field magnetic cloud structure with low field variance, (2) interplanetary shock and magnetically turbulent sheath region, (3) interaction region with large field variance, and (4) the high-speed solar wind stream coming from the open field regions, in modulating the galactic cosmic rays (GCRs). MC structures are responsible for transient decrease with fast recovery. SMC structures are responsible for fast decrease and slow recovery, MIH structures produce depression with slow decrease and slow recovery, and SMH structures are responsible for fast decrease with very slow recovery. Simultaneous variations of GCR intensity, solar plasma velocity, interplanetary magnetic field strength, and its variance led us to study the relative effectiveness of different structures as well as interplanetary plasma/field parameters. Possible role of the magnetic field, its topology, field turbulence, and the high-speed streams in influencing the amplitude and time profile of resulting decreases in GCR intensity have also been discussed.

Verification of Loop Diagnostics

NASA Technical Reports Server (NTRS)

Winebarger, A.; Lionello, R.; Mok, Y.; Linker, J.; Mikic, Z.

2014-01-01

Many different techniques have been used to characterize the plasma in the solar corona: density-sensitive spectral line ratios are used to infer the density, the evolution of coronal structures in different passbands is used to infer the temperature evolution, and the simultaneous intensities measured in multiple passbands are used to determine the emission measure. All these analysis techniques assume that the intensity of the structures can be isolated through background subtraction. In this paper, we use simulated observations from a 3D hydrodynamic simulation of a coronal active region to verify these diagnostics. The density and temperature from the simulation are used to generate images in several passbands and spectral lines. We identify loop structures in the simulated images and calculate the loop background. We then determine the density, temperature and emission measure distribution as a function of time from the observations and compare with the true temperature and density of the loop. We find that the overall characteristics of the temperature, density, and emission measure are recovered by the analysis methods, but the details of the true temperature and density are not. For instance, the emission measure curves calculated from the simulated observations are much broader than the true emission measure distribution, though the average temperature evolution is similar. These differences are due, in part, to inadequate background subtraction, but also indicate a limitation of the analysis methods.

"Trunk-like" heavy ion structures observed by the Van Allen Probes

NASA Astrophysics Data System (ADS)

Zhang, J.-C.; Kistler, L. M.; Spence, H. E.; Wolf, R. A.; Reeves, G.; Skoug, R.; Funsten, H.; Larsen, B. A.; Niehof, J. T.; MacDonald, E. A.; Friedel, R.; Ferradas, C. P.; Luo, H.

2015-10-01

Dynamic ion spectral features in the inner magnetosphere are the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. We report "trunk-like" ion structures observed by the Van Allen Probes on 2 November 2012. This new type of ion structure looks like an elephant's trunk on an energy-time spectrogram, with the energy of the peak flux decreasing Earthward. The trunks are present in He+ and O+ ions but not in H+. During the event, ion energies in the He+ trunk, located at L = 3.6-2.6, magnetic local time (MLT) = 9.1-10.5, and magnetic latitude (MLAT) = -2.4-0.09°, vary monotonically from 3.5 to 0.04 keV. The values at the two end points of the O+ trunk are energy = 4.5-0.7 keV, L = 3.6-2.5, MLT = 9.1-10.7, and MLAT = -2.4-0.4°. Results from backward ion drift path tracings indicate that the trunks are likely due to (1) a gap in the nightside ion source or (2) greatly enhanced impulsive electric fields associated with elevated geomagnetic activity. Different ion loss lifetimes cause the trunks to differ among ion species.

Structural Abnormalities in the Hair of a Patient with a Novel Ribosomopathy.

PubMed

Alsop, Richard J; Soomro, Asfia; Zhang, Yuchen; Pieterse, Marc; Fatona, Ayodele; Dej, Kimberly; Rheinstädter, Maikel C

2016-01-01

We report the biophysical characterization of hair from a patient with a de novo ribosomopathy. The patient was diagnosed with a mutation on gene RPS23, which codes for a protein which comprises part of the 40S subunit of the ribosome. The patient presents with a number of phenotypes, including hypotonia, autism, extra teeth, elastic skin, and thin/brittle hair. We combined optical microscopy, tensile tests, and X-ray diffraction experiments on hair samples obtained from the scalp of the patient to a multi-scale characterization of the hair from macroscopic to molecular length scales and observe distinct differences in the biophysical properties in the patient's hair when compared to hair from other family members. While no differences were observed in the coiled-coil structure of the keratin proteins or the structure of the intermediate filaments, the patient's hair was 22% thinner, while the Young's modulus remained roughly constant. The X-ray diffraction results give evidence that the amount of lipids in the cell membrane complex is reduced by 20%, which well accounts for the other observations. The pathologies characterized by these techniques may be used to inform the diagnosis of similar de novo mutations in the future.

Anisotropic Light Scattering from Ferrofluids

NASA Astrophysics Data System (ADS)

Rablau, Corneliu; Vaishnava, Prem; Naik, Ratna; Lawes, Gavin; Tackett, Ron; Sudakar, C.

2008-03-01

We have investigated the light scattering in DC magnetic fields from aqueous suspensions of Fe3O4 nanoparticles coated with tetra methyl ammonium hydroxide and γ-Fe2O3 nanoparticles embedded in alginate hydrogel. For Fe3O4 ferrofluid, anomalous light scattering behavior was observed when light propagated both parallel and perpendicular to the magnetic fields. This behavior is attributed to the alignment and aggregation of the nanoparticles in chain-like structures. A very different light scattering behavior was observed for γ-Fe2O3 alginate sample where, under the similar conditions, the application of the magnetic field produced no structured change in scattering. We attribute this difference to the absence of chain-like structures and constrained mobility of iron nanoparticles in the alginate sample. The observation is in agreement with our relaxation and dissipative heating results^1 where both samples exhibited Neel relaxation but only the Fe3O4 ferrofluid showed Brownian relaxation. The results suggest that Brownian relaxation and nanoparticle mobility are important for producing non-linear light scattering in such systems. ^1P.P. Vaishnava, R. Tackett, A. Dixit, C. Sudakar, R. Naik, and G. Lawes, J. Appl. Phys. 102, 063914 (2007).

The Best of Two Worlds: ALMA + IRAM30M Observations of the Orion Integral Shape Filament

NASA Astrophysics Data System (ADS)

Hacar Gonzalez, Alvaro

2018-01-01

We have investigated the internal gas structure of the Orion Integral Shape filament using two large-scale, 150-pointing ALMA-12m mosaics and previous IRAM30m single-dish (SD) observations. From the combination of both single-dish and interferometric data we have produced a high-dynamic range and high-sensitivity map describing the internal gas structure of this filament at scales between 2 pc and 2000 AU (Hacar et al, submitted to A&A). In a series of individual CASA reductions (w/o SD data + w/o feathering), we have investigated the impact of the different uv-coverages on both the total flux and line velocity structure of our ALMA maps. Our analysis highlights the critical role played by the zero-spacing data at the different stages of the cleaning process. The results of these ALMA+IRAM30m experiments emphasize the need of high-sensitivity SD observations for the analysis of large-scale interferometric maps. During my talk, I will discuss the implications of these experiments on the dawn of the ALMA era and in the context of the new AtLAST telescope.

ALMA data suggest the presence of spiral structure in the inner wind of CW Leonis

NASA Astrophysics Data System (ADS)

Decin, L.; Richards, A. M. S.; Neufeld, D.; Steffen, W.; Melnick, G.; Lombaert, R.

2015-02-01

Context. Evolved low-mass stars lose a significant fraction of their mass through stellar winds. While the overall morphology of the stellar wind structure during the asymptotic giant branch (AGB) phase is thought to be roughly spherically symmetric, the morphology changes dramatically during the post-AGB and planetary nebula phase, during which bipolar and multi-polar structures are often observed. Aims: We aim to study the inner wind structure of the closest well-known AGB star CW Leo. Different diagnostics probing different geometrical scales have implied a non-homogeneous mass-loss process for this star: dust clumps are observed at milli-arcsec scale, a bipolar structure is seen at arcsecond-scale, and multi-concentric shells are detected beyond 1''. Methods: We present the first ALMA Cycle 0 band 9 data around 650 GHz (450 μm) tracing the inner wind of CW Leo. The full-resolution data have a spatial resolution of 0.̋42 × 0.̋24, allowing us to study the morpho-kinematical structure of CW Leo within ~6''. Results: We have detected 25 molecular emission lines in four spectral windows. The emission of all but one line is spatially resolved. The dust and molecular lines are centered around the continuum peak position, which is assumed to be dominated by stellar emission. The dust emission has an asymmetric distribution with a central peak flux density of ~2 Jy. The molecular emission lines trace different regions in the wind acceleration region and imply that the wind velocity increases rapidly from about 5 R⋆, almost reaching the terminal velocity at ~11 R⋆. The images prove that vibrational lines are excited close to the stellar surface and that SiO is a parent molecule. The channel maps for the brighter lines show a complex structure; specifically, for the 13CO J = 6-5 line, different arcs are detected within the first few arcseconds. The curved structure in the position-velocity (PV) map of the 13CO J = 6-5 line can be explained by a spiral structure in the inner wind of CW Leo, probably induced by a binary companion. From modelling the ALMA data, we deduce that the potential orbital axis for the binary system lies at a position angle of ~10-20° to the north-east and that the spiral structure is seen almost edge-on. We infer an orbital period of 55 yr and a binary separation of 25 au (or ~8.2 R⋆). We tentatively estimate that the companion is an unevolved low-mass main-sequence star. Conclusions: A scenario of a binary-induced spiral shell can explain the correlated structure seen in the ALMA PV images of CW Leo. Moreover, this scenario can also explain many other observational signatures seen at different spatial scales and in different wavelength regions, such as the bipolar structure and the almost concentric shells. ALMA data hence for the first time provide the crucial kinematical link between the dust clumps seen at milli-arcsecond scale and the almost concentric arcs seen at arcsecond scale. Appendix A is available in electronic form at http://www.aanda.org

Galactic gamma-ray observations and galactic structure

NASA Technical Reports Server (NTRS)

Stecker, F. W.

1975-01-01

Recent observations of gamma-rays originating in the galactic disk together with radio observations, support an emerging picture of the overall structure of our galaxy with higher interstellar gas densities and star formation rates in a region which corresponds to that of the inner arms. The emerging picture is one where molecular clouds make up the dominant constituent of the interstellar gas in the inner galaxy and play a key role in accounting for the gamma-rays and phenomena associated with the production of young stars and other population 1 objects. In this picture, cosmic rays are associated with supernovae and are primarily of galactic origin. These newly observed phenomena can be understood as consequences of the density wave theories of spiral structure. Based on these new developments, the suggestion is made that a new galactic population class, Population O, be added to the standard Populations 1 and 2 in order to recognize important differences in dynamics and distribution between diffuse galactic H1 and interstellar molecular clouds.

Comparison between cone-beam and multislice computed tomography depicting mandibular neurovascular canal structures.

PubMed

Naitoh, Munetaka; Nakahara, Kino; Suenaga, Yutaka; Gotoh, Kenichi; Kondo, Shintaro; Ariji, Eiichiro

2010-01-01

The most common diagnostic imaging modalities for cross-sectional imaging in dental implant planning are currently cone-beam computed tomography (CBCT) and multislice CT (MSCT). However, clinical differences between CBCT and MSCT in this task have not been fully clarified. In this investigation, the detection of fine anatomical structures in the mandible was assessed and compared between CBCT and MSCT images. The sample consisted of 28 patients who had undergone CBCT and MSCT. The bifid mandibular canal in the mandibular ramus, accessory mental and buccal foramina, and median and lateral lingual bony canals were observed in 2-D images, and the findings were compared between CBCT and MSCT. Four of 19 canals observed in CBCT were not observed in MSCT images. Three accessory mental foramina in 2 patients and 28 lateral lingual bony canals in 18 patients were observed consistently using the two methods. Depiction of fine anatomic features in the mandible associated with neurovascular structures is consistent between CBCT and MSCT images. Copyright 2010 Mosby, Inc. All rights reserved.

Electrical properties of crystallized 30B2O3-70V2O5 glass

NASA Astrophysics Data System (ADS)

Gwoo, Donggun; Kim, Taehee; Han, Kyungseok; Choi, Wongyu; Kim, Jonghwan; Ryu, Bongki

2013-05-01

30B2O3-70V2O5 binary-system glass was prepared, and variations in structural and electrical property were examined using crystallization. While different related research studies exist, few have evaluated the variations in the structure and properties with changes in the crystallization rate. 30B2O3-70V2O5 glass was annealed in the graphite mold above the glass transition temperature for 2 h and heat-treated at each crystallization temperature for 3 h. 30B2O3-70V2O5 glass showed predominantly electronic conductive characteristic. FTIR was preferentially used for analyzing the structural changes of B-O bond after crystallization, while XRD was utilized to verify the inferred changes in the structure array (BO3 + V2O5 ↔ BO4 + 2VO2). Structural changes induced by heat treatment were confirmed by analyzing the molecular volume determined from the sample density, and conductance was measured to correlate structural and property changes. Conductivity is discussed based on the migration of vanadate ions with different valence states because of the increase in VO2 crystallinity at 130°C, which, however, was not observed at 170°C. After VO2 structures were reinforced, a 1.8-fold increase in conductance was observed (as compared to the annealed sample) after crystallization at 130°C for 3 h.

The diversity effect in diagnostic reasoning.

PubMed

Rebitschek, Felix G; Krems, Josef F; Jahn, Georg

2016-07-01

Diagnostic reasoning draws on knowledge about effects and their potential causes. The causal-diversity effect in diagnostic reasoning normatively depends on the distribution of effects in causal structures, and thus, a psychological diversity effect could indicate whether causally structured knowledge is used in evaluating the probability of a diagnosis, if the effect were to covary with manipulations of causal structures. In four experiments, participants dealt with a quasi-medical scenario presenting symptom sets (effects) that consistently suggested a specified diagnosis (cause). The probability that the diagnosis was correct had to be rated for two opposed symptom sets that differed with regard to the symptoms' positions (proximal or diverse) in the causal structure that was initially acquired. The causal structure linking the diagnosis to the symptoms and the base rate of the diagnosis were manipulated to explore whether the diagnosis was rated as more probable for diverse than for proximal symptoms when alternative causations were more plausible (e.g., because of a lower base rate of the diagnosis in question). The results replicated the causal diversity effect in diagnostic reasoning across these conditions, but no consistent effects of structure and base rate variations were observed. Diversity effects computed in causal Bayesian networks are presented, illustrating the consequences of the structure manipulations and corroborating that a diversity effect across the different experimental manipulations is normatively justified. The observed diversity effects presumably resulted from shortcut reasoning about the possibilities of alternative causation.

Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

NASA Astrophysics Data System (ADS)

Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

2013-01-01

In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

Formation of nano-laminated structures in a dry sliding wear-induced layer under different wear mechanisms of 20CrNi2Mo steel

NASA Astrophysics Data System (ADS)

Yin, Cun-hong; Liang, Yi-long; Jiang, Yun; Yang, Ming; Long, Shao-lei

2017-11-01

The microstructures of 20CrNi2Mo steel underneath the contact surface were examined after dry sliding. Scanning Electronic Microscopy (SEM), Transmission Electron Microscopy (TEM), Electron Backscattered Diffraction (EBSD) and an ultra-micro-hardness tester were used to characterize the worn surface and dry sliding wear-induced layer. Martensite laths were ultra-refined due to cumulative strains and a large strain gradient that occurred during cyclic loading in wear near the surface. The microstructure evolution in dominant abrasive wear differs from that in adhesive wear. In dominant abrasive wear, only bent martensite laths with high-density deformation dislocations were observed. In contrast, in dominant adhesive wear, gradient structures were formed along the depth from the wear surface. Cross-sectional TEM foils were prepared in a focused ion beam (FIB) to observe the gradient structures in a dry sliding wear-induced layer at depths of approximately 1-5 μm and 5-20 μm. The gradient structures contained nano-laminated structures with an average thickness of 30-50 nm and bent martensite laths. We found that the original martensite laths coordinated with the strain energy and provided origin boundaries for the formation of gradient structures. Geometrically necessary boundaries (GNBs) and isolated dislocation boundaries (IDBs) play important roles in forming the nano-laminated structures.

Modeling of snow avalanches for protection measures designing

NASA Astrophysics Data System (ADS)

Turchaninova, Alla; Lazarev, Anton; Loginova, Ekaterina; Seliverstov, Yuri; Glazovskaya, Tatiana; Komarov, Anton

2017-04-01

Avalanche protection structures such as dams have to be designed using well known standard engineering procedures that differ in different countries. Our intent is to conduct a research on structural avalanche protection measures designing and their reliability assessment during the operation using numerical modeling. In the Khibini Mountains, Russia, several avalanche dams have been constructed at different times to protect settlements and mining. Compared with other mitigation structures dams are often less expensive to construct in mining regions. The main goal of our investigation was to test the capabilities of Swiss avalanche dynamics model RAMMS and Russian methods to simulate the interaction of avalanches with mitigation structures such as catching and reflecting dams as well as to reach the observed runout distances after the transition through a dam. We present the RAMMS back-calculation results of an artificially triggered and well-documented catastrophic avalanche occurred in the town of Kirovsk, Khibini Mountains in February 2016 that has unexpectedly passed through a system of two catching dams and took the lives of 3 victims. The estimated volume of an avalanche was approximately 120,000 m3. For the calculation we used a 5 m DEM including catching dams generated from field measurements in summer 2015. We simulated this avalanche (occurred below 1000 m.a.s.l.) in RAMMS having taken the friction parameters (µ and ζ) from the upper altitude limit (above 1500 m.a.s.l.) from the table recommended for Switzerland (implemented into RAMMS) according to the results of our previous research. RAMMS reproduced the observed avalanche behavior and runout distance. No information is available concerning the flow velocity; however, calculated values correspond in general to the values measured in this avalanche track before. We applied RAMMS using an option of adding structures to DEM (including a dam in GIS) in other to test other operating catching dams in Khibini Mountains by different avalanche scenarios and discuss the technical procedure and obtained results. RAMMS results were compared with field observations data and values received with Russian well-known one dimensional avalanche models. In the Caucasus, Russia, new ski resorts are being under the development which is impossible without avalanche protection. The choice of the avalanche mitigation type has to be done by experts depending on many factors. Within the ski resort Arkhyz, Caucasus we implemented RAMMS into the procedure of the structural measures type decision making. RAMMS as well as Russian well-known one-dimensional models were used to calculate the key input parameters for structures designing. The calculation results were coupled with field observations data and historical records. Finally we suggested the avalanche protection plan for the area of interest. The interpretation of RAMMS simulations including mitigation structures has been made in order to assess the reliability of the proposed protection.

Seismic structures in the inner and outer core constrained by the PKP observations near the caustic distance range

NASA Astrophysics Data System (ADS)

Yu, W.; Wen, L.; Niu, F.

2002-05-01

We have extensively collected PKP waveforms around the PKP caustic distance range (141o - 147o) recorded in several dense regional arrays and the Global Seismic Network covering from 1990 to 2000. PKP observations at this distance range (141o - 147o) are usually purposely avoided in travel time analyses, because of the interference of various PKP branches. The observations there, however, will be extremely useful for constraining the seismic structures at both the top of the inner core and the bottom of the outer core. Moreover, because PKIKP phases sample a depth range of 100 km - 170 km below the inner-core boundary at this distant range, their observations fill the sampling depth gap between the PKiKP-PKIKP observations at the smaller distances and the PKPbc-PKIKP phases at the larger distances. Before the PKP caustics (141o - 145o), the diffracted PKP phases near the B caustics (PKPBdiff) and PKiKP phases are discernible in the long-period seismograms, and their differential travel times and waveforms could be used to constrain seismic structures at the bottom of the outer core and/or at the base of the mantle. The observed long-period PKiKP-PKPBdiff waveforms exhibit a hemispheric difference between those sampling the "eastern" and "western" hemispheres, with those sampling the "western" hemisphere showing larger time separations between the two phases. These observations can be explained by models with P velocity gradients of 0.0806 (km/s)/ 200 km for the "western" hemisphere and 0.114 (km/s)/200 km for the "eastern" hemisphere at the bottom of the outer core. Alternatively, these observations can also be explained by models with different velocity structures at the bottom 200 km of the mantle with P velocity variations in an order of 3 percent with respect to PREM. Broadband PKP observations after the PKP caustics (145o - 147o), on the other hand, provide high-quality constraints on the seismic structures at both the top of the inner core and the bottom of the outer core, as PKPbc phases can be used as excellent reference phases. We explore seismic models in both the bottom of the outer core and the top of the inner core, which can consistently explain the seismic observations at the caustic distance range (141o - 147o) and the PKiKP-PKIKP observations at the closer distances (Niu and Wen, Nature, 410, 1081-1084, 2001, Wen and Niu, JGR, submitted).

Modeling Chinese ionospheric layer parameters based on EOF analysis

NASA Astrophysics Data System (ADS)

Yu, You; Wan, Weixing; Xiong, Bo; Ren, Zhipeng; Zhao, Biqiang; Zhang, Yun; Ning, Baiqi; Liu, Libo

2015-05-01

Using 24-ionosonde observations in and around China during the 20th solar cycle, an assimilative model is constructed to map the ionospheric layer parameters (foF2, hmF2, M(3000)F2, and foE) over China based on empirical orthogonal function (EOF) analysis. First, we decompose the background maps from the International Reference Ionosphere model 2007 (IRI-07) into different EOF modes. The obtained EOF modes consist of two factors: the EOF patterns and the corresponding EOF amplitudes. These two factors individually reflect the spatial distributions (e.g., the latitudinal dependence such as the equatorial ionization anomaly structure and the longitude structure with east-west difference) and temporal variations on different time scales (e.g., solar cycle, annual, semiannual, and diurnal variations) of the layer parameters. Then, the EOF patterns and long-term observations of ionosondes are assimilated to get the observed EOF amplitudes, which are further used to construct the Chinese Ionospheric Maps (CIMs) of the layer parameters. In contrast with the IRI-07 model, the mapped CIMs successfully capture the inherent temporal and spatial variations of the ionospheric layer parameters. Finally, comparison of the modeled (EOF and IRI-07 model) and observed values reveals that the EOF model reproduces the observation with smaller root-mean-square errors and higher linear correlation coefficients. In addition, IRI discrepancy at the low latitude especially for foF2 is effectively removed by EOF model.

Modeling Chinese ionospheric layer parameters based on EOF analysis

NASA Astrophysics Data System (ADS)

Yu, You; Wan, Weixing

2016-04-01

Using 24-ionosonde observations in and around China during the 20th solar cycle, an assimilative model is constructed to map the ionospheric layer parameters (foF2, hmF2, M(3000)F2, and foE) over China based on empirical orthogonal function (EOF) analysis. First, we decompose the background maps from the International Reference Ionosphere model 2007 (IRI-07) into different EOF modes. The obtained EOF modes consist of two factors: the EOF patterns and the corresponding EOF amplitudes. These two factors individually reflect the spatial distributions (e.g., the latitudinal dependence such as the equatorial ionization anomaly structure and the longitude structure with east-west difference) and temporal variations on different time scales (e.g., solar cycle, annual, semiannual, and diurnal variations) of the layer parameters. Then, the EOF patterns and long-term observations of ionosondes are assimilated to get the observed EOF amplitudes, which are further used to construct the Chinese Ionospheric Maps (CIMs) of the layer parameters. In contrast with the IRI-07 model, the mapped CIMs successfully capture the inherent temporal and spatial variations of the ionospheric layer parameters. Finally, comparison of the modeled (EOF and IRI-07 model) and observed values reveals that the EOF model reproduces the observation with smaller root-mean-square errors and higher linear correlation co- efficients. In addition, IRI discrepancy at the low latitude especially for foF2 is effectively removed by EOF model.

Structural anomalies in undoped Gallium Arsenide observed in high resolution diffraction imaging with monochromatic synchrotron radiation

NASA Technical Reports Server (NTRS)

Steiner, B.; Kuriyama, M.; Dobbyn, R. C.; Laor, U.; Larson, D.; Brown, M.

1988-01-01

Novel, streak-like disruption features restricted to the plane of diffraction have recently been observed in images obtained by synchrotron radiation diffraction from undoped, semi-insulating gallium arsenide crystals. These features were identified as ensembles of very thin platelets or interfaces lying in (110) planes, and a structural model consisting of antiphase domain boundaries was proposed. We report here the other principal features observed in high resolution monochromatic synchrotron radiation diffraction images: (quasi) cellular structure; linear, very low-angle subgrain boundaries in (110) directions, and surface stripes in a (110) direction. In addition, we report systematic differences in the acceptance angle for images involving various diffraction vectors. When these observations are considered together, a unifying picture emerges. The presence of ensembles of thin (110) antiphase platelet regions or boundaries is generally consistent not only with the streak-like diffraction features but with the other features reported here as well. For the formation of such regions we propose two mechanisms, operating in parallel, that appear to be consistent with the various defect features observed by a variety of techniques.

Structural anomalies in undoped gallium arsenide observed in high-resolution diffraction imaging with monochromatic synchrotron radiation

NASA Technical Reports Server (NTRS)

Steiner, B.; Kuriyama, M.; Dobbyn, R. C.; Laor, U.; Larson, D.

1989-01-01

Novel, streak-like disruption features restricted to the plane of diffraction have recently been observed in images obtained by synchrotron radiation diffraction from undoped, semi-insulating gallium arsenide crystals. These features were identified as ensembles of very thin platelets or interfaces lying in (110) planes, and a structural model consisting of antiphase domain boundaries was proposed. We report here the other principal features observed in high resolution monochromatic synchrotron radiation diffraction images: (quasi) cellular structure; linear, very low-angle subgrain boundaries in (110) directions, and surface stripes in a (110) direction. In addition, we report systematic differences in the acceptance angle for images involving various diffraction vectors. When these observations are considered together, a unifying picture emerges. The presence of ensembles of thin (110) antiphase platelet regions or boundaries is generally consistent not only with the streak-like diffraction features but with the other features reported here as well. For the formation of such regions we propose two mechanisms, operating in parallel, that appear to be consistent with the various defect features observed by a variety of techniques.

Mixing and Matching Detergents for Membrane Protein NMR Structure Determination

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

Columbus, Linda; Lipfert, Jan; Jambunathan, Kalyani

2009-10-21

One major obstacle to membrane protein structure determination is the selection of a detergent micelle that mimics the native lipid bilayer. Currently, detergents are selected by exhaustive screening because the effects of protein-detergent interactions on protein structure are poorly understood. In this study, the structure and dynamics of an integral membrane protein in different detergents is investigated by nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR) spectroscopy and small-angle X-ray scattering (SAXS). The results suggest that matching of the micelle dimensions to the protein's hydrophobic surface avoids exchange processes that reduce the completeness of the NMR observations. Based onmore » these dimensions, several mixed micelles were designed that improved the completeness of NMR observations. These findings provide a basis for the rational design of mixed micelles that may advance membrane protein structure determination by NMR.« less

Global Dynamics of Proteins: Bridging Between Structure and Function

PubMed Central

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

2010-01-01

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

Global dynamics of proteins: bridging between structure and function.

PubMed

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

2010-01-01

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

Transient Structures and Possible Limits of Data Recording in Phase-Change Materials.

PubMed

Hu, Jianbo; Vanacore, Giovanni M; Yang, Zhe; Miao, Xiangshui; Zewail, Ahmed H

2015-07-28

Phase-change materials (PCMs) represent the leading candidates for universal data storage devices, which exploit the large difference in the physical properties of their transitional lattice structures. On a nanoscale, it is fundamental to determine their performance, which is ultimately controlled by the speed limit of transformation among the different structures involved. Here, we report observation with atomic-scale resolution of transient structures of nanofilms of crystalline germanium telluride, a prototypical PCM, using ultrafast electron crystallography. A nonthermal transformation from the initial rhombohedral phase to the cubic structure was found to occur in 12 ps. On a much longer time scale, hundreds of picoseconds, equilibrium heating of the nanofilm is reached, driving the system toward amorphization, provided that high excitation energy is invoked. These results elucidate the elementary steps defining the structural pathway in the transformation of crystalline-to-amorphous phase transitions and describe the essential atomic motions involved when driven by an ultrafast excitation. The establishment of the time scales of the different transient structures, as reported here, permits determination of the possible limit of performance, which is crucial for high-speed recording applications of PCMs.

Detection of underground structures using UAV and field spectroscopy for defence and security in Cyprus

NASA Astrophysics Data System (ADS)

Melillos, George; Themistocleous, Kyriacos; Prodromou, Maria; Hadjimitsis, Diofantos G.

2017-10-01

The purpose of this paper is to present the results obtained from unmanned aerial vehicle (UAV) and field spectroscopy campaigns for detecting underground structures. Underground structures can affect their surrounding landscapes in different ways, such as soil moisture content, soil composition and vegetation vigor. The last is often observed on the ground as a crop mark; a phenomenon which can be used as a proxy to denote the presence of underground non-visible structures. A number of vegetation indices such as the Normalized Difference Vegetation Index (NDVI), Simple Ratio (SR), Difference Vegetation Index (DVI) and Soil Adjusted Vegetation Index (SAVI) were utilized for the development of a vegetation index-based procedure aiming at the detection of underground military structures by using existing vegetation indices or other in-band algorithms. The measurements were taken at the following test areas such as: (a) vegetation area covered with the vegetation (barley), in the presence of an underground military structure (b) vegetation area covered with the vegetation (barley), in the absence of an underground military structure.

Structural analysis of the human fibroblast growth factor receptor 4 kinase.

PubMed

Lesca, E; Lammens, A; Huber, R; Augustin, M

2014-11-11

The family of fibroblast growth factor receptors (FGFRs) plays an important and well-characterized role in a variety of pathological disorders. FGFR4 is involved in myogenesis and muscle regeneration. Mutations affecting the kinase domain of FGFR4 may cause cancer, for example, breast cancer or rhabdomyosarcoma. Whereas FGFR1-FGFR3 have been structurally characterized, the structure of the FGFR4 kinase domain has not yet been reported. In this study, we present four structures of the kinase domain of FGFR4, in its apo-form and in complex with different types of small-molecule inhibitors. The two apo-FGFR4 kinase domain structures show an activation segment similar in conformation to an autoinhibitory segment observed in the hepatocyte growth factor receptor kinase but different from the known structures of other FGFR kinases. The structures of FGFR4 in complex with the type I inhibitor Dovitinib and the type II inhibitor Ponatinib reveal the molecular interactions with different types of kinase inhibitors and may assist in the design and development of FGFR4 inhibitors. Copyright © 2014 Elsevier Ltd. All rights reserved.

Constraining the volatile fraction of planets from transit observations

NASA Astrophysics Data System (ADS)

Alibert, Y.

2016-06-01

Context. The determination of the abundance of volatiles in extrasolar planets is very important as it can provide constraints on transport in protoplanetary disks and on the formation location of planets. However, constraining the internal structure of low-mass planets from transit measurements is known to be a degenerate problem. Aims: Using planetary structure and evolution models, we show how observations of transiting planets can be used to constrain their internal composition, in particular the amount of volatiles in the planetary interior, and consequently the amount of gas (defined in this paper to be only H and He) that the planet harbors. We first explore planets that are located close enough to their star to have lost their gas envelope. We then concentrate on planets at larger distances and show that the observation of transiting planets at different evolutionary ages can provide statistical information on their internal composition, in particular on their volatile fraction. Methods: We computed the evolution of low-mass planets (super-Earths to Neptune-like) for different fractions of volatiles and gas. We used a four-layer model (core, silicate mantle, icy mantle, and gas envelope) and computed the internal structure of planets for different luminosities. With this internal structure model, we computed the internal and gravitational energy of planets, which was then used to derive the time evolution of the planet. Since the total energy of a planet depends on its heat capacity and density distribution and therefore on its composition, planets with different ice fractions have different evolution tracks. Results: We show for low-mass gas-poor planets that are located close to their central star that assuming evaporation has efficiently removed the entire gas envelope, it is possible to constrain the volatile fraction of close-in transiting planets. We illustrate this method on the example of 55 Cnc e and show that under the assumption of the absence of gas, the measured mass and radius imply at least 20% of volatiles in the interior. For planets at larger distances, we show that the observation of transiting planets at different evolutionary ages can be used to set statistical constraints on the volatile content of planets. Conclusions: These results can be used in the context of future missions like PLATO to better understand the internal composition of planets, and based on this, their formation process and potential habitability.

The role of the micro-pattern and nano-topography of hydroxyapatite bioceramics on stimulating osteogenic differentiation of mesenchymal stem cells.

PubMed

Zhao, Cancan; Wang, Xiaoya; Gao, Long; Jing, Linguo; Zhou, Quan; Chang, Jiang

2018-06-01

The micro/nano hybrid structure is considered to be a biomaterial characteristic to stimulate osteogenesis by mimicking the three-dimensional structure of the bone matrix. However, the mechanism of the hybrid structure induced osteogenic differentiation of stem cells is still unknown. For elucidating the mechanisms, one of the challenge is to directly fabricate micro/nano hybrid structure on bioceramics because of its brittleness. In this study, hydroxyapatite (HA) bioceramics with the micro/nano hybrid structure were firstly fabricated via a hydrothermal treatment and template method, and the effect of the different surface structures on the expression of integrins, BMP2 signaling pathways and cell-cell communication was investigated. Interestingly, the results suggested that the osteogenic differentiation induced by micro/nano structures was modulated first through activating integrins and then further activating BMP2 signaling pathway and cell-cell communication, while activated BMP2 could in turn activate integrins and Cx43-related cell-cell communication. Furthermore, differences in activation of integrins, BMP2 signaling pathway, and gap junction-mediated cell-cell communication were observed, in which nanorod and micropattern structures activated different integrin subunits, BMP downstream receptors and Cx43. This finding may explain the synergistic effect of the micro/nano hybrid structure on the activation of osteogenic differentiation of BMSCs. Based on our study, we concluded that the different activation mechanisms of micro- and nano-structures led to the synergistic stimulatory effect on integrin activation and osteogenesis, in which not only the direct contact of cells on micro/nano structure played an important role, but also other surface characteristics such as protein adsorption might contribute to the bioactive effect. The micro/nano hybrid structure has been found to have synergistic bioactivity on osteogenesis. However, it is still a challenge to fabricate the hybrid structure directly on the bioceramics, and the role of micro- and nano-structure, in particular the mechanism of the micro/nano-hybrid structure induced stem cell differentiation is still unknown. In this study, we firstly fabricated hydroxyapatite bioceramics with the micro/nano hybrid structure, and then investigated the effect of different surface structure on expression of integrins, BMP2 signaling pathways and cell-cell communication. Interestingly, we found that the osteogenic differentiation induced by structure was modulated first through activating integrins and then further activating BMP2 signaling pathway and cell-cell communication, and activated BMP2 could in turn activate some integrin subunits and Cx43-related cell-cell communication. Furthermore, differences in activation of integrins, BMP2 signaling pathway, and gap junction-mediated cell-cell communication were observed, in which nanorod and micropattern structures activated different integrin subunits, BMP downstream receptors and Cx43. This finding may explain the synergistic effect of the micro/nano hybrid structure on the activation of osteogenic differentiation of BMSCs. Based on our study, we concluded that the different activation mechanisms of micro- and nano-structures led to the synergistic stimulatory effect on integrin activation and osteogenesis, in which not only the direct contact of cells on micro/nano structure played an important role, but also other surface characteristics such as protein adsorption might contribute to the bioactive effect. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

It Is Worth Thoroughly Looking at the Computer Display

ERIC Educational Resources Information Center

Kraftmakher, Yaakov

2009-01-01

Two useful observations are possible when thoroughly looking at the cathode-ray display of a computer. First, the structure of a color image is seen with a moderate magnification. Second, the decay of different phosphors corresponding to the red, green, and blue primary colors is observable with a photodiode and oscilloscope.

Observed Parenting Behavior with Teens: Measurement Invariance and Predictive Validity Across Race

PubMed Central

Skinner, Martie L.; MacKenzie, Elizabeth P.; Haggerty, Kevin P.; Hill, Karl G.; Roberson, Kendra C.

2011-01-01

Previous reports supporting measurement equality between European American and African American families have often focused on self-reported risk factors or observed parent behavior with young children. This study examines equality of measurement of observer ratings of parenting behavior with adolescents during structured tasks; mean levels of observed parenting; and predictive validity of teen self-reports of antisocial behaviors and beliefs using a sample of 163 African American and 168 European American families. Multiple-group confirmatory factor analyses supported measurement invariance across ethnic groups for 4 measures of observed parenting behavior: prosocial rewards, psychological costs, antisocial rewards, and problem solving. Some mean-level differences were found: African American parents exhibited lower levels of prosocial rewards, higher levels of psychological costs, and lower problem solving when compared to European Americans. No significant mean difference was found in rewards for antisocial behavior. Multigroup structural equation models suggested comparable relationships across race (predictive validity) between parenting constructs and youth antisocial constructs (i.e., drug initiation, positive drug attitudes, antisocial attitudes, problem behaviors) in all but one of the tested relationships. This study adds to existing evidence that family-based interventions targeting parenting behaviors can be generalized to African American families. PMID:21787057

Plasmaspheric Plumes Observed by the CLUSTER and IMAGE Spacecraft

NASA Technical Reports Server (NTRS)

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

2008-01-01

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

Measuring Category Intuitiveness in Unconstrained Categorization Tasks

ERIC Educational Resources Information Center

Pothos, Emmanuel M.; Perlman, Amotz; Bailey, Todd M.; Kurtz, Ken; Edwards, Darren J.; Hines, Peter; McDonnell, John V.

2011-01-01

What makes a category seem natural or intuitive? In this paper, an unsupervised categorization task was employed to examine observer agreement concerning the categorization of nine different stimulus sets. The stimulus sets were designed to capture different intuitions about classification structure. The main empirical index of category…

A Census of Plasma Waves and Structures Associated With an Injection Front in the Inner Magnetosphere

NASA Astrophysics Data System (ADS)

Malaspina, David M.; Ukhorskiy, Aleksandr; Chu, Xiangning; Wygant, John

2018-04-01

Now that observations have conclusively established that the inner magnetosphere is abundantly populated with kinetic electric field structures and nonlinear waves, attention has turned to quantifying the ability of these structures and waves to scatter and accelerate inner magnetospheric plasma populations. A necessary step in that quantification is determining the distribution of observed structure and wave properties (e.g., occurrence rates, amplitudes, and spatial scales). Kinetic structures and nonlinear waves have broadband signatures in frequency space, and consequently, high-resolution time domain electric and magnetic field data are required to uniquely identify such structures and waves as well as determine their properties. However, most high-resolution fields data are collected with a strong bias toward high-amplitude signals in a preselected frequency range, strongly biasing observations of structure and wave properties. In this study, an ˜45 min unbroken interval of 16,384 samples/s field burst data, encompassing an electron injection event, is examined. This data set enables an unbiased census of the kinetic structures and nonlinear waves driven by this electron injection, as well as determination of their "typical" properties. It is found that the properties determined using this unbiased burst data are considerably different than those inferred from amplitude-biased burst data, with significant implications for wave-particle interactions due to kinetic structures and nonlinear waves in the inner magnetosphere.

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.

Sex Differences in Parietal Lobe Morphology: Relationship to Mental Rotation Performance

ERIC Educational Resources Information Center

Koscik, Tim; O'Leary, Dan; Moser, David J.; Andreasen, Nancy C.; Nopoulos, Peg

2009-01-01

Structural magnetic resonance imaging (MRI) studies of the human brain have reported evidence for sexual dimorphism. In addition to sex differences in overall cerebral volume, differences in the proportion of gray matter (GM) to white matter (WM) volume have been observed, particularly in the parietal lobe. To our knowledge there have been no…

SAR and X-ray Structures of Enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and Cyclohexyldiamine Derivativies as Inhibitors of Coagulation Factor Xa

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

Qiao,J.; Chang, C.; Cheney, D.

In the search of Factor Xa (FXa) inhibitors structurally different from the pyrazole-based series, we identified a viable series of enantiopure cis-(1R,2S)-cycloalkyldiamine derivatives as potent and selective inhibitors of FXa. Among them, cyclohexyldiamide 7 and cyclopentyldiamide 9 were the most potent neutral compounds, and had good anticoagulant activity comparable to the pyrazole-based analogs. Crystal structures of 7-FXa and 9-FXa illustrate binding similarities and differences between the five- and the six-membered core systems, and provide rationales for the observed SAR of P1 and linker moieties.

An experimental study of oscillatory thermocapillary convection in cylindrical containers

NASA Technical Reports Server (NTRS)

Kamotani, Y.; Lee, J. H.; Ostrach, S.; Pline, A.

1992-01-01

An experimental study of oscillatory thermocapillary in small cylindrical containers with a heating wire placed along the center axis is performed by investigating the flow structures and temperature distributions under various conditions. To supplement the flow visualization the surface is scanned using an infrared imager. Here, 2 cS viscosity (Pr = 27) silicone oil is used as the test fluid. It is observed that beyond a certain temperature difference between the container wall and the heating wire, a distinctive unsteady flow pattern appears. This unsteady phenomenon is identified as oscillatory thermocapillary. After the onset of oscillations the flow structure becomes nonaxisymmetric and wave motion is observed at the free surface. It is shown that the critical temperature difference is independent of container dimensions if the aspect ratio is fixed.

Studying the Formation and Development of Molecular Clouds: With the CCAT Heterodyne Array Instrument (CHAI)

NASA Technical Reports Server (NTRS)

Goldsmith, Paul F.

2012-01-01

Surveys of all different types provide basic data using different tracers. Molecular clouds have structure over a very wide range of scales. Thus, "high resolution" surveys and studies of selected nearby clouds add critical information. The combination of large-area and high resolution allows Increased spatial dynamic range, which in turn enables detection of new and perhaps critical morphology (e.g. filaments). Theoretical modeling has made major progress, and suggests that multiple forces are at work. Galactic-scale modeling also progressing - indicates that stellar feedback is required. Models must strive to reproduce observed cloud structure at all scales. Astrochemical observations are not unrelated to questions of cloud evolution and star formation but we are still learning how to use this capability.

Correlative SEM SERS for quantitative analysis of dimer nanoparticles.

PubMed

Timmermans, F J; Lenferink, A T M; van Wolferen, H A G M; Otto, C

2016-11-14

A Raman microscope integrated with a scanning electron microscope was used to investigate plasmonic structures by correlative SEM-SERS analysis. The integrated Raman-SEM microscope combines high-resolution electron microscopy information with SERS signal enhancement from selected nanostructures with adsorbed Raman reporter molecules. Correlative analysis is performed for dimers of two gold nanospheres. Dimers were selected on the basis of SEM images from multi aggregate samples. The effect of the orientation of the dimer with respect to the polarization state of the laser light and the effect of the particle gap size on the Raman signal intensity is observed. Additionally, calculations are performed to simulate the electric near field enhancement. These simulations are based on the morphologies observed by electron microscopy. In this way the experiments are compared with the enhancement factor calculated with near field simulations and are subsequently used to quantify the SERS enhancement factor. Large differences between experimentally observed and calculated enhancement factors are regularly detected, a phenomenon caused by nanoscale differences between the real and 'simplified' simulated structures. Quantitative SERS experiments reveal the structure induced enhancement factor, ranging from ∼200 to ∼20 000, averaged over the full nanostructure surface. The results demonstrate correlative Raman-SEM microscopy for the quantitative analysis of plasmonic particles and structures, thus enabling a new analytical method in the field of SERS and plasmonics.

The multifractal nature of plume structure in high-Rayleigh-number convection

NASA Astrophysics Data System (ADS)

Puthenveettil, Baburaj A.; Ananthakrishna, G.; Arakeri, Jaywant H.

2005-03-01

The geometrically different planforms of near-wall plume structure in turbulent natural convection, visualized by driving the convection using concentration differences across a membrane, are shown to have a common multifractal spectrum of singularities for Rayleigh numbers in the range 1010-1011 at Schmidt number of 602. The scaling is seen for a length scale range of 25 and is independent of the Rayleigh number, the flux, the strength and nature of the large-scale flow, and the aspect ratio. Similar scaling is observed for the plume structures obtained in the presence of a weak flow across the membrane. This common non-trivial spatial scaling is proposed to be due to the same underlying generating process for the near-wall plume structures.

Enhancement of second harmonic generation in NaNO{sub 2}-infiltrated opal photonic crystal using structural light focusing

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

Zaytsev, Kirill I., E-mail: kirzay@gmail.com; Yurchenko, Stanislav O., E-mail: st.yurchenko@mail.ru

Experimental and numerical results for second harmonic generation (SHG) in photonic crystal (PC) based on NaNO{sub 2}-infiltrated opal matrix are presented. SHG is performed in reflection mode; thus, the direction of the SHG maximum is equal to the angle of mirror reflection. The PC was pumped with femtosecond optical pulses at different angles of incidence, allowing the dependence of the SHG efficiency on the location of the fundamental wavelength toward the PC band gap (BG) to be examined. The most efficient SHG was observed when pumping the BG of the PC. To interpret the experimental results, finite-difference time-domain numerical simulationsmore » of the light interaction with the PC were conducted. The observed effect of highly efficient SHG is associated with structural light focusing, and, as a consequence, with strong optical field localization within certain near-surface PC regions. Thus, SHG enhancement based on structural light focusing in PC was demonstrated.« less

Distribution function of random strains in an elastically anisotropic continuum and defect strengths of T m3 + impurity ions in crystals with zircon structure

NASA Astrophysics Data System (ADS)

Malkin, B. Z.; Abishev, N. M.; Baibekov, E. I.; Pytalev, D. S.; Boldyrev, K. N.; Popova, M. N.; Bettinelli, M.

2017-07-01

We construct a distribution function of the strain-tensor components induced by point defects in an elastically anisotropic continuum, which can be used to account quantitatively for many effects observed in different branches of condensed matter physics. Parameters of the derived six-dimensional generalized Lorentz distribution are expressed through the integrals computed over the array of strains. The distribution functions for the cubic diamond and elpasolite crystals and tetragonal crystals with the zircon and scheelite structures are presented. Our theoretical approach is supported by a successful modeling of specific line shapes of singlet-doublet transitions of the T m3 + ions doped into AB O4 (A =Y , Lu; B =P , V) crystals with zircon structure, observed in high-resolution optical spectra. The values of the defect strengths of impurity T m3 + ions in the oxygen surroundings, obtained as a result of this modeling, can be used in future studies of random strains in different rare-earth oxides.

Structural steady states and relaxation oscillations in a two-phase fluid under shear flow: Experiments and phenomenological model

NASA Astrophysics Data System (ADS)

Courbin, L.; Benayad, A.; Panizza, P.

2006-01-01

By means of several rheophysics techniques, we report on an extensive study of the couplings between flow and microstructures in a two-phase fluid made of lamellar (Lα) and sponge (L3) phases. Depending on the nature of the imposed dynamical parameter (stress or shear rate) and on the experimental conditions (brine salinity or temperature), we observe several different structural steady states consisting of either multilamellar droplets (with or without a long range order) or elongated (L3) phase domains. Two different astonishing phenomena, shear-induced phase inversion and relaxation oscillations, are observed. We show that (i) phase inversion is related to a shear-induced topological change between monodisperse multilamellar droplets and elongated structures and (ii) droplet size relaxation oscillations result from a shear-induced change of the surface tension between both coexisting (Lα) and (L3) phases. To explain these relaxation oscillations, we present a phenomenological model and compare its numerical predictions to our experimental results.

A Contribution to the Understanding of the Regional Seismic Structure in the Eastern Mediterranean

NASA Astrophysics Data System (ADS)

Di Luccio, F.; Thio, H.; Pino, N.

2001-12-01

Regional earthquakes recorded by two digital broadband stations (BGIO and KEG) located in the Eastern Mediterranean have been analyzed in order to study the seismic structure in this region. The area consists of different tectonic provinces, which complicate the modeling of the seismic wave propagation. We have modeled the Pnl arrivals using the FK-integration technique (Saikia, 1994) along different paths at the two stations, at several distances, ranging from 400 to 1500 km. Comparing the synthetics obtained by using several models compiled by other authors, we have constructed a velocity model, considering the informations deriving from group velocity distribution, in order to determine the finer structure in the analyzed paths. The model has been perturbed by trial and error until a compressional velocity profile has been found producing the shape of the observed waveforms. The crustal thickness, upper mantle P-wave velocity and 410-km discontinuity determine the shape of the observed waveform portions.

Chalcones: structural requirements for antioxidant, estrogenic and antiproliferative activities.

PubMed

Calliste, C A; Le Bail, J C; Trouillas, P; Pouget, C; Habrioux, G; Chulia, A J; Duroux, J L

2001-01-01

Flavonoids are largely studied for their biological properties and particularly for their scavenging and antioxidant activities. In the present study, we first evaluated the antioxidant and the estrogenic actions of chalcones, then we tested their effects on MCF-7 cell proliferation. Chalcones are unique in the flavonoids family in lacking a heterocyclic C ring. We tested substituted chalcones with different numbers and different positions of the hydroxy groups: 2'-hydroxychalcone, 4'-hydroxychalcone, 4-hydroxychalcone, 2',4-dihydroxychalcone, isoliquiritigenin, 2',4'-dihydroxychalcone, phloretin and naringenin chalcone. For the antioxidant tests we established the importance of the alpha-beta double bond and the 6'-hydroxy group. The establishment of the structure-activity relationship for the estrogenic properties showed a correlation between the antioxidant and the estrogenic properties. The importance of conformation and hydroxy group positions observed for chalcones, having antioxidant and estrogenic properties, was also observed on MCF-7 cell growth with the same structure-activity relationship. The role of electron and hydrogen transfer in the correlation between these three biological activities was discussed.

Dynamical ion transfer between coupled Coulomb crystals in a double-well potential.

PubMed

Klumpp, Andrea; Zampetaki, Alexandra; Schmelcher, Peter

2017-09-01

We investigate the nonequilibrium dynamics of coupled Coulomb crystals of different sizes trapped in a double well potential. The dynamics is induced by an instantaneous quench of the potential barrier separating the two crystals. Due to the intra- and intercrystal Coulomb interactions and the asymmetric population of the potential wells, we observe a complex reordering of ions within the two crystals as well as ion transfer processes from one well to the other. The study and analysis of the latter processes constitutes the main focus of this work. In particular, we examine the dependence of the observed ion transfers on the quench amplitude performing an analysis for different crystalline configurations ranging from one-dimensional ion chains via two-dimensional zigzag chains and ring structures to three-dimensional spherical structures. Such an analysis provides us with the means to extract the general principles governing the ion transfer dynamics and we gain some insight on the structural disorder caused by the quench of the barrier height.

Analysis of Protein Thermostability Enhancing Factors in Industrially Important Thermus Bacteria Species

PubMed Central

Kumwenda, Benjamin; Litthauer, Derek; Bishop, Özlem Tastan; Reva, Oleg

2013-01-01

Elucidation of evolutionary factors that enhance protein thermostability is a critical problem and was the focus of this work on Thermus species. Pairs of orthologous sequences of T. scotoductus SA-01 and T. thermophilus HB27, with the largest negative minimum folding energy (MFE) as predicted by the UNAFold algorithm, were statistically analyzed. Favored substitutions of amino acids residues and their properties were determined. Substitutions were analyzed in modeled protein structures to determine their locations and contribution to energy differences using PyMOL and FoldX programs respectively. Dominant trends in amino acid substitutions consistent with differences in thermostability between orthologous sequences were observed. T. thermophilus thermophilic proteins showed an increase in non-polar, tiny, and charged amino acids. An abundance of alanine substituted by serine and threonine, as well as arginine substituted by glutamine and lysine was observed in T. thermophilus HB27. Structural comparison showed that stabilizing mutations occurred on surfaces and loops in protein structures. PMID:24023508

Structural differences between yeast and mammalian microtubules revealed by cryo-EM

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

Howes, Stuart C.; Geyer, Elisabeth A.; LaFrance, Benjamin

Microtubules are polymers of αβ-tubulin heterodimers essential for all eukaryotes. Despite sequence conservation, there are significant structural differences between microtubules assembled in vitro from mammalian or budding yeast tubulin. Yeast MTs were not observed to undergo compaction at the interdimer interface as seen for mammalian microtubules upon GTP hydrolysis. Lack of compaction might reflect slower GTP hydrolysis or a different degree of allosteric coupling in the lattice. The microtubule plus end–tracking protein Bim1 binds yeast microtubules both between αβ-tubulin heterodimers, as seen for other organisms, and within tubulin dimers, but binds mammalian tubulin only at interdimer contacts. At the concentrationsmore » used in cryo-electron microscopy, Bim1 causes the compaction of yeast microtubules and induces their rapid disassembly. In conclusion, our studies demonstrate structural differences between yeast and mammalian microtubules that likely underlie their differing polymerization dynamics. These differences may reflect adaptations to the demands of different cell size or range of physiological growth temperatures.« less

Evaluation of Cloud-Resolving Model Intercomparison Simulations Using TWP-ICE Observations: Precipitation and Cloud Structure

NASA Technical Reports Server (NTRS)

Varble, Adam; Fridlind, Ann M.; Zipser, Edward J.; Ackerman, Andrew S.; Chaboureau, Jean-Pierre; Fan, Jiwen; Hill, Adrian; McFarlane, Sally A.; Pinty, Jean-Pierre; Shipway, Ben

2011-01-01

The Tropical Warm Pool.International Cloud Experiment (TWP ]ICE) provided extensive observational data sets designed to initialize, force, and constrain atmospheric model simulations. In this first of a two ]part study, precipitation and cloud structures within nine cloud ]resolving model simulations are compared with scanning radar reflectivity and satellite infrared brightness temperature observations during an active monsoon period from 19 to 25 January 2006. Seven of nine simulations overestimate convective area by 20% or more leading to general overestimation of convective rainfall. This is balanced by underestimation of stratiform rainfall by 5% to 50% despite overestimation of stratiform area by up to 65% because of a preponderance of very low stratiform rain rates in all simulations. All simulations fail to reproduce observed radar reflectivity distributions above the melting level in convective regions and throughout the troposphere in stratiform regions. Observed precipitation ]sized ice reaches higher altitudes than simulated precipitation ]sized ice despite some simulations that predict lower than observed top ]of ]atmosphere infrared brightness temperatures. For the simulations that overestimate radar reflectivity aloft, graupel is the cause with one ]moment microphysics schemes whereas snow is the cause with two ]moment microphysics schemes. Differences in simulated radar reflectivity are more highly correlated with differences in mass mean melted diameter (Dm) than differences in ice water content. Dm is largely dependent on the mass ]dimension relationship and gamma size distribution parameters such as size intercept (N0) and shape parameter (m). Having variable density, variable N0, or m greater than zero produces radar reflectivities closest to those observed.

Role of structural inheritance on present-day deformation in intraplate domains

NASA Astrophysics Data System (ADS)

Tarayoun, A.; Mazzotti, S.; Gueydan, F.

2017-12-01

Understanding the role of structural inheritance on present day surface deformation is a key element for better characterizing the dynamism of intraplate earthquakes. Current deformation and seismicity are poorly understood phenomenon in intra-continental domains. A commonly used hypothesis, based on observations, suggests that intraplate deformation is related to the reactivation of large tectonic paleo-structures, which can act as locally weakened domains. The objective of our study is to quantify the impact of these weakened areas on present-day strain localizations and rates. We combine GPS observations and numerical modeling to analyze the role of structural inheritance on strain rates, with specific observations along the St. Lawrence Valley of eastern Canada. We processed 143 GPS stations from five different networks, in particular one dense campaign network situated along a recognized major normal faults system of the Iapetus paleo-rift, in order to accurately determine the GPS velocities and strain rates. Results of strain rates show magnitude varying from 1.5x10-10 to 6.8x10-9 yr-1 in the St Lawrence valley. Weakened area strain rates are up to one order of magnitude higher than surrounding areas. We compare strain rates inferred from GPS and the new postglacial rebound model. We found that GPS signal is one order of magnitude higher in the weakened zone, which is likely due to structural inheritance. The numerical modeling investigates the steady-state deformation of the continental lithosphere with presence of a weak area. Our new approach integrates ductile structural inheritance using a weakening coefficient that decreases the lithosphere strength at different depths. This allows studying crustal strain rates mainly as a function of rheological contrast and geometry of the weakened domains. Comparison between model predictions and observed GPS strain rates will allow us to investigate the respective role of crustal and mantle tectonic inheritance.

Microwave Spectrum of Hydrogen Bonded HEXAFLUOROISOPROPANOL•••WATER Complex

NASA Astrophysics Data System (ADS)

Shahi, Abhishek; Arunan, Elangannan

2014-06-01

Stabilizing α-helical structure of protein and dissolving a hard to dissolve polymer, polythene terphthalete, are some of the unique properties of the organic solvent Hexafluoroisopropanol (HFIP). After determining the complete microwave spectrum of HFIP monomer, we have recorded the spectrum of HFIP***H_2O complex. Ab initio calculations were used to optimize three different possible structures. The global minimum, structure 1, had HFIP as proton donor. Another promising structure, Structure 2, has been obtained from a molecular dynamic study. A total of 46 observed lines have been fitted well for obtaining the rotational and distortion constants within experimental uncertainty. The observed rotational constants are A = 1134.53898(77) MHz, B = 989.67594(44) MHz and C = 705.26602(20) MHz. Interestingly, the rotational constants of structure 1, structure 2 and experiments were very close. Experimentally observed distortion constants were close to structure 1. b-type transitions were stronger than c-type which is also consistent with the calculated dipole moment components of structure 1. Calculations predict a non-zero a-dipole moment but experimentally a-type transitions were absent. Microwave spectra of two of the deuterium isotopologues of this complex i.e. HFIP***D_2O (30 transitions) and HFIP***HOD (33 transitions) have been also observed. Search for other isotopologues are in progress. To characterize the nature of hydrogen bonding, Atoms in Molecules and Natural Bond Orbital theoretical analysis have been done. Experimental structure and these theoretical analyses indicate that the hydrogen bonding in HFIP***H_2O complex is stronger than that in water dimer. A. Shahi and E. Arunan, Talk number RK16, 68th International Symposium on Molecular Spectroscopy 2013, Ohio, USA. Yamaguchi, T.; Imura, S.; Kai, T.; Yoshida, K. Zeitschrift für Naturforsch. A 2013, 68a, 145.

Team Structure and Regulatory Focus: The Impact of Regulatory Fit on Team Dynamic

ERIC Educational Resources Information Center

Dimotakis, Nikolaos; Davison, Robert B.; Hollenbeck, John R.

2012-01-01

We report a within-teams experiment testing the effects of fit between team structure and regulatory task demands on task performance and satisfaction through average team member positive affect and helping behaviors. We used a completely crossed repeated-observations design in which 21 teams enacted 2 tasks with different regulatory focus…

Transition from two-dimensional photonic crystals to dielectric metasurfaces in the optical diffraction with a fine structure

PubMed Central

Rybin, Mikhail V.; Samusev, Kirill B.; Lukashenko, Stanislav Yu.; Kivshar, Yuri S.; Limonov, Mikhail F.

2016-01-01

We study experimentally a fine structure of the optical Laue diffraction from two-dimensional periodic photonic lattices. The periodic photonic lattices with the C4v square symmetry, orthogonal C2v symmetry, and hexagonal C6v symmetry are composed of submicron dielectric elements fabricated by the direct laser writing technique. We observe surprisingly strong optical diffraction from a finite number of elements that provides an excellent tool to determine not only the symmetry but also exact number of particles in the finite-length structure and the sample shape. Using different samples with orthogonal C2v symmetry and varying the lattice spacing, we observe experimentally a transition between the regime of multi-order diffraction, being typical for photonic crystals to the regime where only the zero-order diffraction can be observed, being is a clear fingerprint of dielectric metasurfaces characterized by effective parameters. PMID:27491952

Velocity measurements in the near field of a diesel fuel injector by ultrafast imagery

NASA Astrophysics Data System (ADS)

Sedarsky, David; Idlahcen, Saïd; Rozé, Claude; Blaisot, Jean-Bernard

2013-02-01

This paper examines the velocity profile of fuel issuing from a high-pressure single-orifice diesel injector. Velocities of liquid structures were determined from time-resolved ultrafast shadow images, formed by an amplified two-pulse laser source coupled to a double-frame camera. A statistical analysis of the data over many injection events was undertaken to map velocities related to spray formation near the nozzle outlet as a function of time after start of injection. These results reveal a strong asymmetry in the liquid profile of the test injector, with distinct fast and slow regions on opposite sides of the orifice. Differences of ˜100 m/s can be observed between the `fast' and `slow' sides of the jet, resulting in different atomization conditions across the spray. On average, droplets are dispersed at a greater distance from the nozzle on the `fast' side of the flow, and distinct macrostructure can be observed under the asymmetric velocity conditions. The changes in structural velocity and atomization behavior resemble flow structures which are often observed in the presence of string cavitation produced under controlled conditions in scaled, transparent test nozzles. These observations suggest that widely used common-rail supply configurations and modern injectors can potentially generate asymmetric interior flows which strongly influence diesel spray morphology. The velocimetry measurements presented in this work represent an effective and relatively straightforward approach to identify deviant flow behavior in real diesel sprays, providing new spatially resolved information on fluid structure and flow characteristics within the shear layers on the jet periphery.

Observed large-scale structures and diabatic heating and drying profiles during TWP-ICE

DOE PAGES

Xie, Shaocheng; Hume, Timothy; Jakob, Christian; ...

2010-01-01

This study documents the characteristics of the large-scale structures and diabatic heating and drying profiles observed during the Tropical Warm Pool–International Cloud Experiment (TWP-ICE), which was conducted in January–February 2006 in Darwin during the northern Australian monsoon season. The examined profiles exhibit significant variations between four distinct synoptic regimes that were observed during the experiment. The active monsoon period is characterized by strong upward motion and large advective cooling and moistening throughout the entire troposphere, while the suppressed and clear periods are dominated by moderate midlevel subsidence and significant low- to midlevel drying through horizontal advection. The midlevel subsidence andmore » horizontal dry advection are largely responsible for the dry midtroposphere observed during the suppressed period and limit the growth of clouds to low levels. During the break period, upward motion and advective cooling and moistening located primarily at midlevels dominate together with weak advective warming and drying (mainly from horizontal advection) at low levels. The variations of the diabatic heating and drying profiles with the different regimes are closely associated with differences in the large-scale structures, cloud types, and rainfall rates between the regimes. Strong diabatic heating and drying are seen throughout the troposphere during the active monsoon period while they are moderate and only occur above 700 hPa during the break period. The diabatic heating and drying tend to have their maxima at low levels during the suppressed periods. Furthermore, the diurnal variations of these structures between monsoon systems, continental/coastal, and tropical inland-initiated convective systems are also examined.« less

Structural phase transition, electronic structure and optical properties of half Heusler alloys LiBeZ (Z = As, Sb)

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

Amudhavalli, A.; Rajeswarapalanichamy, R., E-mail: rajeswarapalanichamy@gmail.com

2016-05-23

Ab initio calculations are performed to investigate the structural stability, electronic structure, mechanical properties and optical properties of half Heusler alloys (LiBeAs and LiBeSb) for three different phases of zinc blende crystal structure. Among the considered phases, α- phase is found to be the most stable phase for these alloys at normal pressure. A pressure induced structural phase transition from α-phase to β- phase is observed for LiBeAs. The electronic structure reveals that these alloys are semiconductors. The optical properties confirm that these alloys are semiconductor in nature.

Sex Differences in Young Children's Responses to an Infant: An Observation Within a Day Care Setting.

ERIC Educational Resources Information Center

Berman, Phyllis W.

A sample of 43 boys and 43 girls (aged 32 to 63 months) was observed during interactions with a 13-month-old infant in a structured situation in a day care center. Attendance in an area surrounding an empty playpen, and behaviors in that area, were recorded on four preliminary days to adapt children to observers and measure baseline behavior; on…

Wavenumber-4 structures observed in the low-latitude ionosphere during low and high solar activity periods using FORMOSAT/COSMIC observations

NASA Astrophysics Data System (ADS)

Onohara, Amelia Naomi; Staciarini Batista, Inez; Prado Batista, Paulo

2018-03-01

The main purpose of this study is to investigate the four-peak structure observed in the low-latitude equatorial ionosphere by the FORMOSAT/COSMIC satellites. Longitudinal distributions of NmF2 (the density of the F layer peak) and hmF2 (ionospheric F2-layer peak height) averages, obtained around September equinox periods from 2007 to 2015, were submitted to a bi-spectral Fourier analysis in order to obtain the amplitudes and phases of the main waves. The four-peak structure in the equatorial and low-latitude ionosphere was present in both low and high solar activity periods. This kind of structure possibly has tropospheric origins related to the tidal waves propagating from below that modulate the E-region dynamo, mainly the eastward non-migrating diurnal tide with wavenumber 3 (DE3, E for eastward). This wave when combined with the migrating diurnal tide (DW1, W for westward) presents a wavenumber-4 (wave-4) structure under a synoptic view. Electron densities observed during 2008 and 2013 September equinoxes revealed that the wave-4 structures became more prominent around or above the F-region altitude peak (˜ 300-350 km). The four-peak structure remains up to higher ionosphere altitudes (˜ 800 km). Spectral analysis showed DE3 and SPW4 (stationary planetary wave with wavenumber 4) signatures at these altitudes. We found that a combination of DE3 and SPW4 with migrating tides is able to reproduce the wave-4 pattern in most of the ionospheric parameters. For the first time a study using wave variations in ionospheric observations for different altitude intervals and solar cycle was done. The conclusion is that the wave-4 structure observed at high altitudes in ionosphere is related to effects of the E-region dynamo combined with transport effects in the F region.

Genetic structure among continental and island populations of gyrfalcons.

PubMed

Johnson, Jeff A; Burnham, Kurt K; Burnham, William A; Mindell, David P

2007-08-01

Little is known about the possible influence that past glacial events have had on the phylogeography and population structure of avian predators in the Arctic and sub-Arctic. In this study, we use microsatellite and mitochondrial control region DNA variation to investigate the population genetic structure of gyrfalcons (Falco rusticolus) throughout a large portion of their circumpolar distribution. In most locations sampled, the mtDNA data revealed little geographic structure; however, five out of eight mtDNA haplotypes were unique to a particular geographic area (Greenland, Iceland, or Alaska) and the Iceland population differed from others based on haplotype frequency differences (F(ST)). With the microsatellite results, significant population structure (F(ST), principal components analysis, and cluster analysis) was observed identifying Greenland and Iceland as separate populations, while Norway, Alaska and Canada were identified as a single population consistent with contemporary gene flow across Russia. Within Greenland, differing levels of gene flow between western and eastern sampling locations was indicated with apparent asymmetric dispersal in western Greenland from north to south. This dispersal bias is in agreement with the distribution of plumage colour variants with white gyrfalcons in much higher proportion in northern Greenland. Lastly, because the mtDNA control region sequence differed by only one to four nucleotides from a common haplotype among all gyrfalcons, we infer that the observed microsatellite population genetic structure has developed since the last glacial maximum. This conclusion is further supported by our finding that a closely related species, the saker falcon (Falco cherrug), has greater genetic heterogeneity, including mtDNA haplotypes differing by 1-16 nucleotide substitutions from a common gyrfalcon haplotype. This is consistent with gyrfalcons having expanded rapidly from a single glacial-age refugium to their current circumpolar distribution. Additional sampling of gyrfalcons from Fennoscandia and Russia throughout Siberia is necessary to test putative gene flow between Norway and Alaska and Canada as suggested by this study.

Impact of model perfume molecules on the self-assembly of anionic surfactant sodium dodecyl 6-benzene sulfonate.

PubMed

Bradbury, Robert; Penfold, Jeffrey; Thomas, Robert K; Tucker, Ian M; Petkov, Jordan T; Jones, Craig; Grillo, Isabelle

2013-03-12

The impact of two model perfumes with differing degrees of hydrophobicity/hydrophilicity, linalool (LL) and phenylethanol (PE), on the solution structure of anionic surfactant sodium dodecyl 6-benzene sulfonate, LAS-6, has been studied by small angle neutron scattering, SANS. For both types of perfume molecules, complex phase behavior is observed. The phase behavior depends upon the concentration, surfactant/perfume composition, and type of perfume. The more hydrophilic perfume PE promotes the formation of more highly curved structures. At relatively low surfactant concentrations, small globular micelles, L1, are formed. These become perfume droplets, L(sm), stabilized by the surfactant at much higher perfume solution compositions. At higher surfactant concentrations, the tendency of LAS-6 to form more planar structures is evident. The more hydrophobic linalool promotes the formation of more planar structures. Combined with the greater tendency of LAS-6 to form planar structures, this results in the planar structures dominating the phase behavior for the LAS-6/linalool mixtures. For the LAS-6/linalool mixture, the self-assembly is in the form of micelles only at the lowest surfactant and perfume concentrations. Over most of the concentration-composition space explored, the structures are predominantly lamellar, L(α), or vesicle, L(v), or in the form of a lamellar/micellar coexistence. At low and intermediate amounts of LL, a significantly different structure is observed, and the aggregates are in the form of small, relatively monodisperse vesicles (i.e., nanovesicles), L(sv).

Pathways and hydrography in the Mesoamerican Barrier Reef System Part 2: Water masses and thermohaline structure

NASA Astrophysics Data System (ADS)

Carrillo, L.; Johns, E. M.; Smith, R. H.; Lamkin, J. T.; Largier, J. L.

2016-06-01

Hydrographic data from two oceanographic cruises conducted during March 2006 and January/February 2007 are used to investigate the thermohaline structure related to the observed circulation along the Mesoamerican Barrier Reef System (MBRS). From our observations we identify three water masses in the MBRS: the Caribbean Surface Water (CSW), North Atlantic Subtropical Underwater (SUW), and Tropical Atlantic Central Water (TACW). Little vertical structure in temperature is observed in the upper 100 m of the water column, but important differences are observed in the salinity distribution both horizontally and with depth. Freshwater inputs to the system from the mainland can be traced in the surface layer, with two possible sources: one from surface rivers located along the southern portion of the MBRS, and the other originating from an underground river system located along the northern portion of the MBRS. The thermohaline structure in the MBRS reflects the dynamics of the observed circulation. Uplifted isopycnals along most of the central and northern coastline of the MBRS reflect the effects of the strong geostrophic circulation flowing northward, i.e. the Yucatan Current. To the south along the MBRS, much weaker velocities are observed, with the Honduras Gyre dominating the flow in this region as presented during January/February 2007. These two regions are separated by onshore and divergent alongshore flow associated with the impingement of the Cayman Current on the shore and the MBRS.

The X-ray structure of Paramecium bursaria Chlorella virus arginine decarboxylase: insight into the structural basis for substrate specificity

PubMed Central

Shah, Rahul; Akella, Radha; Goldsmith, Elizabeth J.; Phillips, Margaret A.

2008-01-01

The group IV pyridoxal-5′-phosphate (PLP)-dependent decarboxylases belong to the β/α barrel structural family, and include enzymes with substrate specificity for a range of basic amino acids. A unique homolog of this family, the Paramecium bursaria Chlorella virus arginine decarboxylase (cvADC), shares about 40% amino acid sequence identity with the eukaryotic ornithine decarboxylases (ODCs). The X-ray structure of cvADC has been solved to 1.95 and 1.8 Å resolution for the free and agmatine (product)-bound enzymes. The global structural differences between cvADC and eukaryotic ODC are minimal (rmsd of 1.2 – 1.4 Å), however, the active site has significant structural rearrangements. The key “specificity element,” is identified as the 310-helix that contains and positions substrate-binding residues such as E296 cvADC (D332 in T. brucei ODC). In comparison to the ODC structures, the 310-helix in cvADC is shifted over 2 Å away from the PLP cofactor, thus accommodating the larger arginine substrate. Within the context of this conserved fold, the protein is designed to be flexible in the positioning and amino acid sequence of the 310-helix, providing a mechanism to evolve different substrate preferences within the family without large structural rearrangements. Also, in the structure, the “K148-loop” (homologous to the “K169-loop” of ODC) is observed in a closed, substrate-bound conformation for the first time. Apparently the K148 loop is a mobile loop, analogous to those observed in triose phosphate isomerase and tryptophan synthetase. In conjunction with prior structural studies these data predict that this loop adopts different conformations throughout the catalytic cycle, and that loop movement may be kinetically linked to the rate-limiting step of product release. PMID:17305368

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

Nigro, Valentina, E-mail: nigro@fis.uniroma3.it; Bruni, Fabio; Ricci, Maria Antonietta

The temperature dependence of the local intra-particle structure of colloidal microgel particles, composed of interpenetrated polymer networks, has been investigated by small-angle neutron scattering at different pH and concentrations, in the range (299÷315) K, where a volume phase transition from a swollen to a shrunken state takes place. Data are well described by a theoretical model that takes into account the presence of both interpenetrated polymer networks and cross-linkers. Two different behaviors are found across the volume phase transition. At neutral pH and T ≈ 307 K, a sharp change of the local structure from a water rich open inhomogeneousmore » interpenetrated polymer network to a homogeneous porous solid-like structure after expelling water is observed. Differently, at acidic pH, the local structure changes almost continuously. These findings demonstrate that a fine control of the pH of the system allows to tune the sharpness of the volume-phase transition.« less

Enhanced picture of protein-folding intermediates using organic solvents in H/D exchange and quench-flow experiments

PubMed Central

Nishimura, Chiaki; Dyson, H. Jane; Wright, Peter E.

2005-01-01

Hydrogen/deuterium exchange followed by trapping of the labeled species in the aprotic solvent DMSO has been used to elucidate structure in both the burst-phase molten globule-folding intermediate of apomyoglobin and in an equilibrium intermediate that models the kinetic intermediate. Precise estimates can be made of exchange times in an interrupted exchange-out experiment at pH 4 followed by analysis in DMSO solution, giving extensive sequence-specific information about the structure of the equilibrium intermediate. In addition, the use of DMSO as a solvent for NMR measurements after quench-flow pH-pulse labeling experiments gives a greatly increased data set for the elucidation of the kinetic folding pathway. Interestingly, differences are observed in some regions of apomyoglobin between the equilibrium and kinetic intermediates. These differences are quantitative rather than qualitative; that is, the overall patterns of labeling and secondary structure formation remain similar between the two species. However, local differences are observed, which probably reflect the difference in the solution conditions for the equilibrium experiment (pH 4) vs. the kinetic experiment (pH 6) and the change in the status of the stabilizing hydrogen bond between the side chains of His-24 and His-119. PMID:15769860

Novel use of residue from direct coal liquefaction process

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

Jianli Yang; Zhaixia Wang; Zhenyu Liu

2009-09-15

Direct coal liquefaction residue (DCLR) is, commonly, designed to be used as a feed stock for gasification or combustion. Use of DCLR as a value added product is very important for improving overall economy of direct coal liquefaction processes. This study shows that the DCLR may be used as a pavement asphalt modifier. The modification ability is similar to that of Trinidad Lake Asphalt (TLA), a superior commercial modifier. Asphalts modified by two DCLRs meet the specifications of ASTM D5710 and BSI BS-3690 designated for the TLA-modified asphalts. The required addition amount for the DCLRs tested is less than thatmore » for TLA due possibly to the high content of asphaltene in DCLRs. Different compatibility was observed for the asphalts with the same penetration grade but from the different origin. Different components in the DCLR play different roles in the modification. Positive synergetic effects among the fractions were observed, which may due to the formation of the stable colloid structure. Unlike polymer-type modifier, the structure of asphalt-type modifier has a similarity with petroleum asphalts which favors the formation of a stable dispersed polar fluid (DPF) colloid structure and improves the performance of pavement asphalt. 12 refs., 1 fig., 6 tabs.« less

The effect of char structure on burnout during pulverized coal combustion at pressure

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

Liu, G.; Wu, H.; Benfell, K.E.

An Australian bituminous coal sample was burnt in a drop tube furnace (DTF) at 1 atm and a pressurized drop tube furnace (PDTF) at 15 atm. The char samples were collected at different burnout levels, and a scanning electron microscope was used to examine the structures of chars. A model was developed to predict the burnout of char particles with different structures. The model accounts for combustion of the thin-walled structure of cenospheric char and its fragmentation during burnout. The effect of pressure on reaction rate was also considered in the model. As a result, approximately 40% and 70% cenosphericmore » char particles were observed in the char samples collected after coal pyrolysis in the DTF and PDTF respectively. A large number of fine particles (< 30 mm) were observed in the 1 atm char samples at burnout levels between 30% and 50%, which suggests that significant fragmentation occurred during early combustion. Ash particle size distributions show that a large number of small ash particles formed during burnout at high pressure. The time needed for 70% char burnout at 15 atm is approximately 1.6 times that at 1 atm under the same temperature and gas environment conditions, which is attributed to the different pressures as well as char structures. The overall reaction rate for cenospheric char was predicted to be approximately 2 times that of the dense chars, which is consistent with previous experimental results. The predicted char burnout including char structures agrees reasonably well with the experimental measurements that were obtained at 1 atm and 15 atm pressures.« less

Minnesota Multiphasic Personality Inventory-2-Restructured Form (MMPI-2-RF) scores generated from the MMPI-2 and MMPI-2-RF test booklets: internal structure comparability in a sample of criminal defendants.

PubMed

Tarescavage, Anthony M; Alosco, Michael L; Ben-Porath, Yossef S; Wood, Arcangela; Luna-Jones, Lynn

2015-04-01

We investigated the internal structure comparability of Minnesota Multiphasic Personality Inventory-2-Restructured Form (MMPI-2-RF) scores derived from the MMPI-2 and MMPI-2-RF booklets in a sample of 320 criminal defendants (229 males and 54 females). After exclusion of invalid protocols, the final sample consisted of 96 defendants who were administered the MMPI-2-RF booklet and 83 who completed the MMPI-2. No statistically significant differences in MMPI-2-RF invalidity rates were observed between the two forms. Individuals in the final sample who completed the MMPI-2-RF did not statistically differ on demographics or referral question from those who were administered the MMPI-2 booklet. Independent t tests showed no statistically significant differences between MMPI-2-RF scores generated with the MMPI-2 and MMPI-2-RF booklets on the test's substantive scales. Statistically significant small differences were observed on the revised Variable Response Inconsistency (VRIN-r) and True Response Inconsistency (TRIN-r) scales. Cronbach's alpha and standard errors of measurement were approximately equal between the booklets for all MMPI-2-RF scales. Finally, MMPI-2-RF intercorrelations produced from the two forms yielded mostly small and a few medium differences, indicating that discriminant validity and test structure are maintained. Overall, our findings reflect the internal structure comparability of MMPI-2-RF scale scores generated from MMPI-2 and MMPI-2-RF booklets. Implications of these results and limitations of these findings are discussed. © The Author(s) 2014.

Surviving the hole. I. Spatially resolved chemistry around Sagittarius A∗

NASA Astrophysics Data System (ADS)

Martín, S.; Martín-Pintado, J.; Montero-Castaño, M.; Ho, P. T. P.; Blundell, R.

2012-03-01

Context. The interstellar region within the few central parsecs around the super-massive black hole, Sgr A∗, at the very Galactic center is composed of a number of overlapping molecular structures that are subject to one of the most hostile physical environments in the Galaxy. Aims: Through the study of the morphology and kinematics of the emission from different molecular species as well as the variation of their line ratios we can attain a deeper understanding of the distribution and interaction between different gas structures and the energetic phenomena taking place in the surroundings of Sgr A∗ and of the physical processes responsible for the heating in this region. Methods: We performed high-resolution (4″ × 3″ ~ 0.16 × 0.11 pc) interferometric observations of CN, 13CN, H2CO, SiO, c-C3H2 and HC3N emission at 1.3 mm toward the central ~4 pc of the Galactic center region. Results: Strong differences are observed in the distribution of the different molecules. The UV resistant species CN, the only species tracing all previously identified circumnuclear disk (CND) structures, is mostly concentrated in optically thick clumps in the rotating filaments around Sgr A∗. H2CO emission traces a shell-like structure that we interpret as the expansion of Sgr A East against the 50 km s-1 and 20 km s-1 giant molecular clouds (GMCs). We derive isotopic ratios 12C/13C ~ 15-45 across most of the CND region, except for the northeast arm, where the peak of H2CO is observed and ratios <10 are found. The densest molecular material, traced by SiO and HC3N, is located in the southern CND, likely because of shocked gas infalling from the 20 km s-1 GMC streamers, and the northeast arm, as a result of the expansion of Sgr A East or a connecting point of the 50 km s-1 streamer east of the CND. The observed c-C3H2/HC3N ratio observed in the region is more than an order of magnitude lower than in Galactic PDRs. Toward the central region only CN was detected in absorption. In addition to the known narrow line-of-sight absorptions, a 90 km s-1 wide optically thick spectral feature is observed. We found evidence of an even wider (>100 km s-1) absorption feature. About 70-75% of the gas mass, concentrated in just the 27% densest molecular clumps, is associated with rotating structures and show evidence of an association with each of the arcs of ionized gas in the mini-spiral structure. Conclusions: These observations provide a combined chemical and kinematical picture of the very central region around Sgr A∗. Chemical differentiation has been proven to be a powerful tool to distinguish the many overlapping molecular components in this crowded and heavily obscured region. Figures 12-22 and Tables 3 and 4 are available in electronic form at http://www.aanda.org

Hydroxyl migration disorders the surface structure of hydroxyapatite nanoparticles

NASA Astrophysics Data System (ADS)

Cheng, Xiajie; Wu, Hong; Zhang, Li; Ma, Xingtao; Zhang, Xingdong; Yang, Mingli

2017-09-01

The surface structure of nano-hydroxyapatite (HAP) was investigated using a combined simulated annealing and molecular dynamics method. The stationary structures of nano-HAP with 4-7 nm in diameter and annealed under different temperatures were analyzed in terms of pair distribution function, structural factor, mean square displacement and atomic coordination number. The particles possess different structures from bulk crystal. A clear radial change in their atomic arrangements was noted. From core to surface the structures change from ordered to disordered. A three-shell model was proposed to describe the structure evolution of nano-HAP. Atoms in the core zone keep their arrangements as in crystal, while atoms in the surface shell are in short-range order and long-range disorder, adopting a typically amorphous structure. Atoms in the middle shell have small displacements and/or deflections but basically retain their original locations as in crystal. The disordered shell is about 1 nm in thickness, in agreement with experimental observations. The disordering mainly stems from hydroxyl migration during which hydroxyls move to the surface and bond with the exposed Ca ions, and their left vacancies bring about a rearrangement of nearby atoms. The disordering is to some extent different for particles unannealed under different temperatures, resulting from fewer number of migrated hydroxyls at lower temperatures. Particles with different sizes have similar surface structures, and their surface energy decreases with increasing size. Moreover, the surface energy is reduced by hydroxyl migration because the exposed Ca ions on the surface are ionically bonded with the migrated hydroxyls. Our calculations proposed a new structure model for nano-HAP, which indicates a surface structure with activities different from those without surface reorganization. This is particularly interesting because most bioactivities of biomaterials are dominated by their surface activity.

Formation of Multi-Layer Structures in Bi3Pb7 Intermetallic Compounds under an Ultra-High Gravitational Field

NASA Astrophysics Data System (ADS)

Mashimo, T.; Iguchi, Y.; Bagum, R.; Sano, T.; Sakata, O.; Ono, M.; Okayasu, S.

2008-02-01

Ultra-high gravitational field (Mega-gravity field) can promote sedimentation of atoms (diffusion) even in solids, and is expected to form a compositionally-graded structure and/or nonequilibrium phase in multi-component condensed matter. We had achieved sedimentation of substitutional solute atoms in miscible systems (Bi-Sb, In-Pb, etc.). In this study, a mega-gravity experiment at high temperature was performed on a thin-plate sample (0.7 mm in thickness) of the intermetallic compound Bi3Pb7. A visible four-layer structure was produced, which exhibited different microscopic structures. In the lowest-gravity region layer, Bi phase appeared. In the mid layers, a compositionally-graded structure was formed, with differences observed in the powder X-ray diffraction patterns. Such a multi-layer structure is expected to exhibit unique physical properties such as superconductivity.

A new multi-scale method to reveal hierarchical modular structures in biological networks.

PubMed

Jiao, Qing-Ju; Huang, Yan; Shen, Hong-Bin

2016-11-15

Biological networks are effective tools for studying molecular interactions. Modular structure, in which genes or proteins may tend to be associated with functional modules or protein complexes, is a remarkable feature of biological networks. Mining modular structure from biological networks enables us to focus on a set of potentially important nodes, which provides a reliable guide to future biological experiments. The first fundamental challenge in mining modular structure from biological networks is that the quality of the observed network data is usually low owing to noise and incompleteness in the obtained networks. The second problem that poses a challenge to existing approaches to the mining of modular structure is that the organization of both functional modules and protein complexes in networks is far more complicated than was ever thought. For instance, the sizes of different modules vary considerably from each other and they often form multi-scale hierarchical structures. To solve these problems, we propose a new multi-scale protocol for mining modular structure (named ISIMB) driven by a node similarity metric, which works in an iteratively converged space to reduce the effects of the low data quality of the observed network data. The multi-scale node similarity metric couples both the local and the global topology of the network with a resolution regulator. By varying this resolution regulator to give different weightings to the local and global terms in the metric, the ISIMB method is able to fit the shape of modules and to detect them on different scales. Experiments on protein-protein interaction and genetic interaction networks show that our method can not only mine functional modules and protein complexes successfully, but can also predict functional modules from specific to general and reveal the hierarchical organization of protein complexes.

Surface vibrational structure at alkane liquid/vapor interfaces

NASA Astrophysics Data System (ADS)

Esenturk, Okan; Walker, Robert A.

2006-11-01

Broadband vibrational sum frequency spectroscopy (VSFS) has been used to examine the surface structure of alkane liquid/vapor interfaces. The alkanes range in length from n-nonane (C9H20) to n-heptadecane (C17H36), and all liquids except heptadecane are studied at temperatures well above their bulk (and surface) freezing temperatures. Intensities of vibrational bands in the CH stretching region acquired under different polarization conditions show systematic, chain length dependent changes. Data provide clear evidence of methyl group segregation at the liquid/vapor interface, but two different models of alkane chain structure can predict chain length dependent changes in band intensities. Each model leads to a different interpretation of the extent to which different chain segments contribute to the anisotropic interfacial region. One model postulates that changes in vibrational band intensities arise solely from a reduced surface coverage of methyl groups as alkane chain length increases. The additional methylene groups at the surface must be randomly distributed and make no net contribution to the observed VSF spectra. The second model considers a simple statistical distribution of methyl and methylene groups populating a three dimensional, interfacial lattice. This statistical picture implies that the VSF signal arises from a region extending several functional groups into the bulk liquid, and that the growing fraction of methylene groups in longer chain alkanes bears responsibility for the observed spectral changes. The data and resulting interpretations provide clear benchmarks for emerging theories of molecular structure and organization at liquid surfaces, especially for liquids lacking strong polar ordering.

Magnetic and magneto-optical properties and domain structure of Co/Pd multilayers

NASA Technical Reports Server (NTRS)

Gadetsky, S.; Wu, Teho; Suzuki, T.; Mansuripur, M.

1993-01-01

The domain structure of Co/Pd(1.6/6.3 A)xN multilayers and its relation to the bulk magnetic properties of the samples were studied. The Co/Pd multilayers were deposited by rf and dc magnetron sputtering onto different substrates. It was found that magnetic and magnetooptical properties and domain structure of the multilayers were affected by total film thickness and substrate condition. Magnetization, coercivity, and anisotropy of the films decreased significantly as the film thickness dropped below 100 A. However, Kerr rotation angle had a maximum at the same thickness. The width of the domain structure increased with the decrease of the film thickness attaining the single domain state at N = 10. The initial curves in Co/Pd multilayers were found to depend on demagnetization process. The samples demagnetized by inplane field showed the largest difference between initial curves and the corresponding parts of the loops. Different domain structures were observed in the samples demagnetized by perpendicular and in-plane magnetic fields.

Migration features of Ips typographus in the Tatra Mountains: using a genetic method

Treesearch

Ferenc Lakatos

2003-01-01

The genetic structure of Ips typographus populations in the Tatra Mountains was studied based on the observed differences of gene flow and migration rate. It was a highlighted question as to what extent different natural barriers influence the migration potential of the species.

Why Might Relative Fit Indices Differ between Estimators?

ERIC Educational Resources Information Center

Weng, Li-Jen; Cheng, Chung-Ping

1997-01-01

Relative fit indices using the null model as the reference point in computation may differ across estimation methods, as this article illustrates by comparing maximum likelihood, ordinary least squares, and generalized least squares estimation in structural equation modeling. The illustration uses a covariance matrix for six observed variables…

Pragmatics Fragmented: The Factor Structure of the Dutch Children's Communication Checklist (CCC)

ERIC Educational Resources Information Center

Geurts, Hilde M.; Hartman, Catharina; Verte, Sylvie; Oosterlaan, Jaap; Roeyers, Herbert; Sergeant, Joseph A.

2009-01-01

Background: A number of disorders are associated with pragmatic difficulties. Instruments that can make subdivisions within the larger construct of pragmatics could be important tools for disentangling profiles of pragmatic difficulty in different disorders. The deficits underlying the observed pragmatic difficulties may be different for different…

Altered Whole-Brain Structural Covariance of the Hippocampal Subfields in Subcortical Vascular Mild Cognitive Impairment and Amnestic Mild Cognitive Impairment Patients.

PubMed

Wang, Xuetong; Yu, Yang; Zhao, Weina; Li, Qiongling; Li, Xinwei; Li, Shuyu; Yin, Changhao; Han, Ying

2018-01-01

The hippocampus plays important roles in memory processing. However, the hippocampus is not a homogeneous structure, which consists of several subfields. The hippocampal subfields are differently affected by many neurodegenerative diseases, especially mild cognitive impairment (MCI). Amnestic mild cognitive impairment (aMCI) and subcortical vascular mild cognitive impairment (svMCI) are the two subtypes of MCI. aMCI is characterized by episodic memory loss, and svMCI is characterized by extensive white matter hyperintensities and multiple lacunar infarctions on magnetic resonance imaging. The primary cognitive impairment in svMCI is executive function, attention, and semantic memory. Some variations or disconnections within specific large-scale brain networks have been observed in aMCI and svMCI patients. The aim of this study was to investigate abnormalities in structural covariance networks (SCNs) between hippocampal subfields and the whole cerebral cortex in aMCI and svMCI patients, and whether these abnormalities are different between the two groups. Automated segmentation of hippocampal subfields was performed with FreeSurfer 5.3, and we selected five hippocampal subfields as the seeds of SCN analysis: CA1, CA2/3, CA4/dentate gyrus (DG), subiculum, and presubiculum. SCNs were constructed based on these hippocampal subfield seeds for each group. Significant correlations between hippocampal subfields, fusiform gyrus (FFG), and entorhinal cortex (ERC) in gray matter volume were found in each group. We also compared the differences in the strength of structural covariance between any two groups. In the aMCI group, compared to the normal controls (NC) group, we observed an increased association between the left CA1/CA4/DG/subiculum and the left temporal pole. Additionally, the hippocampal subfields (bilateral CA1, left CA2/3) significantly covaried with the orbitofrontal cortex in the svMCI group compared to the NC group. In the aMCI group compared to the svMCI group, we observed decreased association between hippocampal subfields and the right FFG, while we also observed an increased association between the bilateral subiculum/presubiculum and bilateral ERC. These findings provide new evidence that there is altered whole-brain structural covariance of the hippocampal subfields in svMCI and aMCI patients and provide insights to the pathological mechanisms of different MCI subtypes.

Direct and indirect influence of parental bedrock on streambed microbial community structure in forested streams.

PubMed

Mosher, Jennifer J; Findlay, Robert H

2011-11-01

A correlative study was performed to determine if variation in streambed microbial community structure in low-order forested streams can be directly or indirectly linked to the chemical nature of the parental bedrock of the environments through which the streams flow. Total microbial and photosynthetic biomass (phospholipid phosphate [PLP] and chlorophyll a), community structure (phospholipid fatty acid analysis), and physical and chemical parameters were measured in six streams, three located in sandstone and three in limestone regions of the Bankhead National Forest in northern Alabama. Although stream water flowing through the two different bedrock types differed significantly in chemical composition, there were no significant differences in total microbial and photosynthetic biomass in the sediments. In contrast, sedimentary microbial community structure differed between the bedrock types and was significantly correlated with stream water ion concentrations. A pattern of seasonal variation in microbial community structure was also observed. Further statistical analysis indicated dissolved organic matter (DOM) quality, which was previously shown to be influenced by geological variation, correlated with variation in bacterial community structure. These results indicate that the geology of underlying bedrock influences benthic microbial communities directly via changes in water chemistry and also indirectly via stream water DOM quality.

Effects of annealing on the ferromagnetism and photoluminescence of Cu-doped ZnO nanowires.

PubMed

Xu, H J; Zhu, H C; Shan, X D; Liu, Y X; Gao, J Y; Zhang, X Z; Zhang, J M; Wang, P W; Hou, Y M; Yu, D P

2010-01-13

Room temperature ferromagnetic Cu-doped ZnO nanowires have been synthesized using the chemical vapor deposition method. By combining structural characterizations and comparative annealing experiments, it has been found that both extrinsic (CuO nanoparticles) and intrinsic (Zn(1-x)Cu(x)O nanowires) sources are responsible for the observed ferromagnetic ordering of the as-grown samples. As regards the former, annealing in Zn vapor led to a dramatic decrease of the ferromagnetism. For the latter, a reversible switching of the ferromagnetism was observed with sequential annealings in Zn vapor and oxygen ambience respectively, which agreed well with previous reports for Cu-doped ZnO films. In addition, we have for the first time observed low temperature photoluminescence changed with magnetic properties upon annealing in different conditions, which revealed the crucial role played by interstitial zinc in directly mediating high T(c) ferromagnetism and indirectly modulating the Cu-related structured green emission via different charge transfer transitions.

Allosteric Ligand Binding and Anisotropic Energy Flow in Albumin

NASA Astrophysics Data System (ADS)

Dyer, Brian

2014-03-01

Protein allostery usually involves propagation of local structural changes through the protein to a remote site. Coupling of structural changes at remote sites is thought to occur through anisotropic energy transport, but the nature of this process is poorly understood. We have studied the relationship between allosteric interactions of remote ligand binding sites of the protein and energy flow through the structure of bovine serum albumin (BSA). We applied ultrafast infrared spectroscopy to probe the flow of energy through the protein backbone following excitation of a heater dye, a metalloporphyrin or malachite green, bound to different binding sites in the protein. We observe ballistic flow through the protein structure following input of thermal energy into the flexible ligand binding sites. We also observe anisotropic heat flow through the structure, without local heating of the rigid helix bundles that connect these sites. We will discuss the implications of this efficient energy transport mechanism with regard to the allosteric propagation of binding energy through the connecting helix structures.

In-situ and real-time growth observation of high-quality protein crystals under quasi-microgravity on earth.

PubMed

Nakamura, Akira; Ohtsuka, Jun; Kashiwagi, Tatsuki; Numoto, Nobutaka; Hirota, Noriyuki; Ode, Takahiro; Okada, Hidehiko; Nagata, Koji; Kiyohara, Motosuke; Suzuki, Ei-Ichiro; Kita, Akiko; Wada, Hitoshi; Tanokura, Masaru

2016-02-26

Precise protein structure determination provides significant information on life science research, although high-quality crystals are not easily obtained. We developed a system for producing high-quality protein crystals with high throughput. Using this system, gravity-controlled crystallization are made possible by a magnetic microgravity environment. In addition, in-situ and real-time observation and time-lapse imaging of crystal growth are feasible for over 200 solution samples independently. In this paper, we also report results of crystallization experiments for two protein samples. Crystals grown in the system exhibited magnetic orientation and showed higher and more homogeneous quality compared with the control crystals. The structural analysis reveals that making use of the magnetic microgravity during the crystallization process helps us to build a well-refined protein structure model, which has no significant structural differences with a control structure. Therefore, the system contributes to improvement in efficiency of structural analysis for "difficult" proteins, such as membrane proteins and supermolecular complexes.

Solid iron-hydrogen alloys under high pressure by first principles

NASA Astrophysics Data System (ADS)

Umemoto, K.; Hirose, K.

2016-12-01

Hydrogen and iron are two of major constituents of the Earth and planetary interiors. The crystal structure of solid FeHx is one of the most fundamental information in order to understand properties of planetary cores. It is well known that FeH takes closed-packed structures: dhcp, hcp, and fcc. Recently, hydrogen-rich phases, FeH2 and FeH3, were experimentally synthesized [1]. Although a tetragonal structure of FeH2 was proposed, it could not explain experimental observations, energetic stability and compression curve. Here we propose a new crystal structure of FeH2. The symmetry of the new structure is completely identical to that in originally proposed one, but the hydrogen sublattice which cannot be directly determined by XRD experiments is different. It will be demonstrated by first principles that the new structure can be fully consistent with experimental observations. [1] C. M. Pépin, A. Dewaele, G. Geneste, P. Loubeyre, and M. Mezouar, Phys. Rev. Lett. 113, 265504 (2014).

Structure and dynamics of mesophilic variants from the homing endonuclease I-DmoI

NASA Astrophysics Data System (ADS)

Alba, Josephine; Marcaida, Maria Jose; Prieto, Jesus; Montoya, Guillermo; Molina, Rafael; D'Abramo, Marco

2017-12-01

I-DmoI, from the hyperthermophilic archaeon Desulfurococcus mobilis, belongs to the LAGLIDADG homing endonuclease protein family. Its members are highly specific enzymes capable of recognizing long DNA target sequences, thus providing potential tools for genome manipulation. Working towards this particular application, many efforts have been made to generate mesophilic variants of I-DmoI that function at lower temperatures than the wild-type. Here, we report a structural and computational analysis of two I-DmoI mesophilic mutants. Despite very limited structural variations between the crystal structures of these variants and the wild-type, a different dynamical behaviour near the cleavage sites is observed. In particular, both the dynamics of the water molecules and the protein perturbation effect on the cleavage site correlate well with the changes observed in the experimental enzymatic activity.

A quantum chemical study of the structures, stability, and spectroscopy of halogen- and hydrogen-boned complexes between cyanoacetaldehyde and hypochlorous acids

NASA Astrophysics Data System (ADS)

Tang, Qingjie; Guo, Zhenfu; Li, Qingzhong

2014-03-01

The complexes of cyanoacetaldehyde and hypohalous acid (HOX, X = Cl, Br, and I) have been investigated. They can form six different structures (A, B, C, D, E, and F), the former three structures are mainly combined through a N(O)⋯X halogen bond and the latter three structures are maintained mainly by a N(O)⋯H hydrogen bond, although other weaker interactions are also present in most structures. The hydrogen-bonded structures are more stable than the respective halogen-bonded structures. The Osbnd H and Osbnd X bonds in the halogen- and hydrogen-bonded complexes are lengthened and show an observed red shift, while those in the weaker secondary interactions are contracted and display a small blue shift. The orbital interactions in NBO analysis and the electron densities in AIM analysis provide useful and reliable information for the strength of each type of interaction in different structures.

Structure and Composition of the Bacillus anthracis Capsule

PubMed Central

Avakyan, A. A.; Katz, L. N.; Levina, K. N.; Pavlova, I. B.

1965-01-01

Avakyan, A. A. (Academy of Medical Sciences, Moscow, USSR), L. N. Katz, K. N. Levina, and I. B. Pavlova. Structure and composition of the Bacillus anthracis capsule. J. Bacteriol. 90:1082–1095. 1965.—Observations by various methods of light microscopy (phase contrast, dark-field, and fluorescence) revealed the complex structure of the Bacillus anthracis capsule, which changes regularly during the growth cycle of the culture. Special cytological methods of staining the capsule made it possible to study its fine structure, which is not revealed by negative staining with India ink. For example, the capsule shows a membranelike outline, fine transverse lines, and interruptions and transverse septa traversing the entire capsule. By using cytochemical methods, it was found that the capsule has a stratified structure and that the various layers of the capsule differ as to the value of the isoelectric point, metachromatic ability, sensitivity to various enzymes, and, consequently, chemical composition. It was thus shown that the membranelike outline of the capsule consists of peptides and neutral mucopolysaccharides. The middle part of the capsule consists of a complex of substances of both polysaccharide and protein nature, and the inner part consists of acid mucopolysaccharides. Observation of the capsular forms of B. anthracis by means of an electron microscope revealed differences in the osmiophilia and submicroscopic structure of the membranelike outline and the middle and inner parts of the capsule. Immunochemical studies conducted by the fluorescent-antibody method revealed localization of antigens in different parts of the capsule, and made it possible to differentiate the capsular antigens according to their serum-staining ability and according of their relations to enzymes, i.e., their chemical composition. This paper concerns the possibility of studying the fine structure of bacterial capsules in fixed preparations, and the differences and similarities of the antigens of the capsule and cell wall of B. anthracis and of the related species, B. megaterium. Images PMID:4954516

Evaluation of structural vacancies for 1/1-Al-Re-Si approximant crystals by positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Yamada, K.; Suzuki, H.; Kitahata, H.; Matsushita, Y.; Nozawa, K.; Komori, F.; Yu, R. S.; Kobayashi, Y.; Ohdaira, T.; Oshima, N.; Suzuki, R.; Takagiwa, Y.; Kimura, K.; Kanazawa, I.

2018-01-01

The size of structural vacancies and structural vacancy density of 1/1-Al-Re-Si approximant crystals with different Re compositions were evaluated by positron annihilation lifetime and Doppler broadening measurements. Incident positrons were found to be trapped at the monovacancy-size open space surrounded by Al atoms. From a previous analysis using the maximum entropy method and Rietveld method, such an open space is shown to correspond to the centre of Al icosahedral clusters, which locates at the vertex and body centre. The structural vacancy density of non-metallic Al73Re17Si10 was larger than that of metallic Al73Re15Si12. The observed difference in the structural vacancy density reflects that in bonding nature and may explain that in the physical properties of the two samples.

Numerical Analysis Using WRF-SBM for the Cloud Microphysical Structures in the C3VP Field Campaign: Impacts of Supercooled Droplets and Resultant Riming on Snow Microphysics

NASA Technical Reports Server (NTRS)

Iguchi, Takamichi; Matsui, Toshihisa; Shi, Jainn J.; Tao, Wei-Kuo; Khain, Alexander P.; Hao, Arthur; Cifelli, Robert; Heymsfield, Andrew; Tokay, Ali

2012-01-01

Two distinct snowfall events are observed over the region near the Great Lakes during 19-23 January 2007 under the intensive measurement campaign of the Canadian CloudSat/CALIPSO validation project (C3VP). These events are numerically investigated using the Weather Research and Forecasting model coupled with a spectral bin microphysics (WRF-SBM) scheme that allows a smooth calculation of riming process by predicting the rimed mass fraction on snow aggregates. The fundamental structures of the observed two snowfall systems are distinctly characterized by a localized intense lake-effect snowstorm in one case and a widely distributed moderate snowfall by the synoptic-scale system in another case. Furthermore, the observed microphysical structures are distinguished by differences in bulk density of solid-phase particles, which are probably linked to the presence or absence of supercooled droplets. The WRF-SBM coupled with Goddard Satellite Data Simulator Unit (G-SDSU) has successfully simulated these distinctive structures in the three-dimensional weather prediction run with a horizontal resolution of 1 km. In particular, riming on snow aggregates by supercooled droplets is considered to be of importance in reproducing the specialized microphysical structures in the case studies. Additional sensitivity tests for the lake-effect snowstorm case are conducted utilizing different planetary boundary layer (PBL) models or the same SBM but without the riming process. The PBL process has a large impact on determining the cloud microphysical structure of the lake-effect snowstorm as well as the surface precipitation pattern, whereas the riming process has little influence on the surface precipitation because of the small height of the system.

The effect of medium structure complexity on the growth of Saccharomyces cerevisiae in gelatin-dextran systems.

PubMed

Boons, Kathleen; Noriega, Estefanía; Verherstraeten, Niels; David, Charlotte C; Hofkens, Johan; Van Impe, Jan F

2015-04-16

As most food systems are (semi-)solid, the effect of food structure on bacterial growth has been widely acknowledged. However, studies on the growth dynamics of yeasts have neglected the effect of food structure. In this paper, the growth dynamics of the spoilage yeast Saccharomyces cerevisiae was investigated at 23.5 °C in broth, singular, homogeneous biopolymer systems and binary biopolymer systems with a heterogeneous microstructure. The biopolymers gelatin and dextran were used to introduce the different levels of structure. The metabolizing ability of gelatin and dextran by S. cerevisiae was examined. To study microbial behavior in the binary systems at the micro level, mixtures were imaged with confocal laser scanning microscopy (CLSM). Growth dynamics and microscopic images of S. cerevisiae were compared with those obtained for Escherichia coli in the same model system (Boons et al., 2014). Different phase-separated, heterogeneous microstructures were obtained by changing the amount of added gelatin and dextran. Regardless of the microstructure, S. cerevisiae was preferentially located in the dextran phase. Metabolizing ability-tests indicated that gelatin could be consumed by S. cerevisiae but in the presence of glucose, no change in gelatin concentration was observed. No indication of dextran metabolizing ability was observed. When supplementing broth with gelatin or dextran alone, an enhanced growth rate and maximum cell density were observed. This enhancement was further increased by adding a second biopolymer, introducing a heterogeneous microstructure and hence increasing the medium structure complexity. The results obtained indicate that food structure complexity plays a significant role in the growth dynamics of S. cerevisiae, an important food spoiler. Copyright © 2014. Published by Elsevier B.V.

The PELskin project: part II-investigating the physical coupling between flexible filaments in an oscillating flow.

PubMed

Revell, Alistair; O'Connor, Joseph; Sarkar, Abhishek; Li, Cuicui; Favier, Julien; Kamps, Laura; Brücker, Christoph

2017-01-01

The fluid-structure interaction mechanisms of a coating composed of flexible flaps immersed in a periodically oscillating channel flow is here studied by means of numerical simulation, employing the Euler-Bernoulli equations to account for the flexibility of the structures. A set of passively actuated flaps have previously been demonstrated to deliver favourable aerodynamic impact when attached to a bluff body undergoing periodic vortex shedding. As such, the present configuration is identified to provide a useful test-bed to better understand this mechanism, thought to be linked to experimentally observed travelling waves. Having previously validated and elucidated the flow mechanism in Paper 1 of this series, we hereby undertake a more detailed analysis of spectra obtained for different natural frequency of structures and different configurations, in order to better characterize the mechanisms involved in the organized motion of the structures. Herein, this wave-like behaviour, observed at the tips of flexible structures via interaction with the fluid flow, is characterized by examining the time history of the filaments motion and the corresponding effects on the fluid flow, in terms of dynamics and frequency of the fluid velocity. Results indicate that the wave motion behaviour is associated with the formation of vortices in the gaps between the flaps, which itself are a function of the structural resistance to the cross flow. In addition, formation of vortices upstream of the leading and downstream of the trailing flap is seen, which interact with the formation of the shear-layer on top of the row. This leads to a phase shift in the wave-type motion along the row that resembles the observation in the cylinder case.

Change of hydrogen bonding structure in ionic liquid mixtures by anion type

NASA Astrophysics Data System (ADS)

Cha, Seoncheol; Kim, Doseok

2018-05-01

Ionic liquid mixtures have gained attention as a way of tuning material properties continuously with composition changes. For some mixture systems, physicochemical properties such as excess molar volume have been found to be significantly different from the value expected by linear interpolation, but the origin of this deviation is not well understood yet. The microstructure of the mixture, which can range from an ideal mixture of two initial consisting ionic liquids to a different structure from those of pure materials, has been suggested as the origin of the observed deviation. The structures of several different ionic liquid mixtures are studied by IR spectroscopy to confirm this suggestion, as a particular IR absorption band (νC(2)-D) for the moiety participating in the hydrogen bonding changes sensitively with the change of the anion in the ionic liquid. The absorbance of νC(2)-D changes proportionally with the composition, and a relatively small excess molar volume is observed for the mixtures containing an electronegative halide anion. By contrast, the absorbance changes nonlinearly, and the excess molar volumes are larger for the mixtures of which one of the anions has multiple interaction sites.

Macronuclear Cytology of Synchronized Tetrahymena pyriformis

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

Cameron, I. L.; Padilla, G. M.; Miller, Jr., O. L.

1966-05-01

Elliott, Kennedy and Bak ('62) and Elliott ('63) followed fine structural changes in macronuclei of Tetrahymena pyriformis which were synchronized by the heat shock method of Scherbaum and Zeuthen ('54). Using Elliott's morphological descriptions as a basis, we designed our investigations with two main objectives: First, to again study the. morphological changes which occur in the macronucleus of Tetrahymena synchronized by the heat shock method. The second objective was to compare these observations with Tetrahymena synchronized by an alternate method recently reported by Padilla and Cameron ('64). Therefore, we were able to compare the results from two different synchronization methodsmore » and to contrast these findings with the macronuclear cytology of Tetrahymena taken from a logarithmically growing culture. Comparison of cells treated in these three different ways enables us to evaluate the two different synchronization methods and to gain more information on the structural changes taking place in the macronucleus of Tetrahymena as a function of the cell cycle. Our observations were confined primarily to nucleolar morphology. The results indicate that cells synchronized by the Padilla and Cameron method more closely resemble logarithmically growing Tetrahymena in the macronuclear structure than do cells obtained by the Scherbaum and·Zeuthen synchronization method. .« less

Raman investigation with group theoretical method on structural polymorphism of the nonlinear optical hexamine: p-nitrophenol cocrystals

NASA Astrophysics Data System (ADS)

Vijayalakshmi, S.; Kalyanaraman, S.; Ravindran, T. R.

2014-09-01

We have synthesized organic non-centrosymmetric cocrystals of 1:1 and 1:2 mole ratios of non-proton-transferred hexamine and p-nitrophenol complexes by using a slow evaporation method. The cocrystal with different stoichiometric variation gets crystallized into different crystallographic structures. The non-proton-transfer process of the complexes and the charge transfer (CT) interaction are established through Fourier transform infrared (FTIR) spectroscopy. The contribution of the water molecule in the 1:2 adduct is explained through FTIR analysis. The result has an important bearing in our present study. Existence of two different crystallographic structures (polymorphism) is confirmed by the lower frequency modes that appeared in Raman spectra. The variation in the Raman active modes at lower frequencies that arise on account of polymorphism is addressed through factor group analysis. From the UV-vis analysis, the interesting result of hyperchromic and hypochromic shifts being observed in the 1:1 and 1:2 adducts, respectively, supports the polymorphic behavior. On seeing the variation in properties, particularly nonlinear optical properties, the higher second harmonic generation (SHG) efficiency compared with KDP is observed by using the Kurtz-Perry method for both complexes.

Atomic force microscopy of chromatin arrays reveal non-monotonic salt dependence of array compaction in solution

PubMed Central

Krzemien, Katarzyna M.; Beckers, Maximilian; Quack, Salina; Michaelis, Jens

2017-01-01

Compaction of DNA in chromatin is a hallmark of the eukaryotic cell and unravelling its structure is required for an understanding of DNA involving processes. Despite strong experimental efforts, many questions concerning the DNA packing are open. In particular, it is heavily debated whether an ordered structure referred to as the “30 nm fibre” exist in vivo. Scanning probe microscopy has become a cutting edge technology for the high-resolution imaging of DNA- protein complexes. Here, we perform high-resolution atomic force microscopy of non-cross-linked chromatin arrays in liquid, under different salt conditions. A statistical analysis of the data reveals that array compaction is salt dependent in a non-monotonic fashion. A simple physical model can qualitatively explain the observed findings due to the opposing effects of salt dependent stiffening of DNA, nucleosome stability and histone-histone interactions. While for different salt concentrations different compaction states are observed, our data do not provide support for the existence of regular chromatin fibres. Our studies add new insights into chromatin structure, and with that contribute to a further understanding of the DNA condensation. PMID:28296908

Responses of polar organic compounds to different ionic environments in aqueous media are interrelated.

PubMed

Ferreira, L A; Chervenak, A; Placko, S; Kestranek, A; Madeira, P P; Zaslavsky, B Y

2014-11-14

Solubilities of 17 polar organic compounds in aqueous solutions of Na2SO4, NaCl, NaClO4, and NaSCN at the salt concentrations of up to 1.0-2.0 M were determined and the Setschenow constant, ksalt, values were estimated. It was found that NaClO4 may display both salting-in and salting-out effects depending on the particular compound structure. The Setschenow constant values for all the polar compounds examined in different salt solutions are found to be interrelated. Similar relationships were observed for partition coefficients of nonionic organic compounds in aqueous polyethylene glycol-sodium sulfate two-phase systems in the presence of different salt additives reported previously [Ferreira et al., J. Chromatogr. A, 2011, 1218, 5031], and for the effects of different salts on optical rotation of amino acids reported by Rossi et al. [J. Phys. Chem. B, 2007, 111, 10510]. In order to explain the observed relationships it is suggested that all the effects observed originate as responses of the compounds to the presence of a given ionic environment and its interaction with the compounds by forming direct or solvent-separated ionic pairs. The response is compound-specific and its strength is determined by the compound structure and the type (and concentration) of ions inducing the response.

Conformational Structure of Tyrosine, Tyrosyl-Glycine, and Tyrosyl-Glycyl-Glycine by Double Resonance Spectroscopy

NASA Technical Reports Server (NTRS)

Abo-Riziq, Ali; Grace, Louis; Crews, Bridgit; Callahan, Michael P,; van Mourik, Tanja; de Vries, Mattanjah S,

2011-01-01

We investigated the variation in conformation for the amino acid tyrosine (Y), alone and in the small peptides tyrosine-glycine (YC) and tyrosine-glycine-glycine (YGG), in the gas phase by using UV-UV and IR-UV double resonance spectroscopy and density functional theory calculations. For tyrosine we found seven different conformations, for YG we found four different conformations, and for YGG we found three different conformations. As the peptides get larger, we observe fewer stable conformers, despite the increasing complexity and number of degrees of freedom. We find structural trends similar to those in phenylalanine-glycine glycine (FGG) and tryptophan-glycine-glycine (WGG)j however) the effect of dispersive forces in FGG for stabilizing a folded structure is replaced by that of hydrogen bonding in YGG.

Transport of four pharmaceuticals in different horizons of three soil types

NASA Astrophysics Data System (ADS)

Kodesova, Radka; Svatkova, Paula; Klement, Ales; Jaksik, Ondrej; Golovko, Oksana; Fer, Miroslav; Kocarek, Martin; Nikodem, Antonin; Grabic, Roman

2015-04-01

Soil structure, which varies in different soil types and the horizons of these soil types, has a significant impact on water flow and contaminant transport in soils. Transport of many contaminants is in addition strongly influenced by their sorption on soil particles. Transport of four pharmaceuticals (sulfamethoxazole, trimethoprim, atenolol and carbamazepine) was studied in soil columns (a diameter of 10.5 cm and a height of 13 cm) taken from all diagnostic horizons of three different soil types (Haplic Luvisol, Greyic Phaeozem and Haplic Cambisol). The irrigation by water contaminated by a mixture of all four compounds followed by ponding infiltration of distilled water was simulated and water outflow and solute concentrations from the bottom of the soil sample was monitored in time. The highest infiltration rates were observed for soil samples from the Bt horizons of the Greyic Phaeozem that exhibited prismatic structure, followed by rates observed in the Ap horizons of the Haplic Luvisol, Greyic Phaeozem and Haplic Cambisol (due to their granular soil structure and presence of root channels). The lowest infiltration rate was measured for the Bw horizon of the Haplic Cambisol, which had a poorly developed soil structure and a low fraction of macropores. Compound discharge was however also highly affected by their sorption on solids. The highest mobility was observed for sulfamethoxazole followed by carbamazepine atenolol and trimethoprim, which corresponds to measured sorption isotherms. Mobility of ionizable compounds in different soil samples was influenced by pH (i.e. degree and form of their ionization) and sites available for absorption. Mobility of sulfamethoxazole decreased with decreasing pH (i.e. the largest sorption measured in horizons of the Haplic Cambisol). While mobility of atenolol and trimethoprim decreased with increasing base cation saturation, and with increasing organic matter content for carbamazepine. As result of both affects (i.e. soil structure and compounds' sorption) the highest discharge of all compounds was observed from the Ap horizon of the Greyic Phaeozem followed by compound discharge from the C horizons of the Greyic Phaeozem and the C and Bt2 horizons of the Haplic Luvisol. Acknowledgement: The authors acknowledge the financial support of the Czech Science Foundation (Project No. 13-12477S, Transport of pharmaceuticals in soils). References: Kodesova, R., Grabic, R., Kocarek, M., Klement, A., Golovko, O., Fer, M., Nikodem, A., Jaksik, O., Pharmaceuticals' sorptions relative to properties of thirteen different soils. Science of the Total Environment 511 (2015) 435-443.

Three-dimensional observation of an helical hot structure during a sawtooth crash in the WT-3 tokamak.

PubMed

Yamaguchi, S; Igami, H; Tanaka, H; Maekawa, T

2004-07-23

Sawtooth crashes in an Ohmically heated plasma in the WT-3 tokamak have been observed by using soft x-ray computer tomography at three different poloidal cross sections around the torus. Initially, collapsing proceeds slowly with keeping the helical structure of an m = 1/n = 1 hot core around the torus. It accelerates as the helical hot structure is strongly deformed and fades away in the manner that the hot core at the high field side becomes obscure and disappears, while that at the low field side is deformed into a thin crescent aligned along the inversion circle, which survives even at the completion of the crash. Copyright 2004 The American Physical Society

Intermediate orthorhombic phases in Ba-122 Iron Arsenides

NASA Astrophysics Data System (ADS)

Ruff, J. P. C.; Islam, Z.; Das, R. K.; Kuo, H.-H.; Fisher, I. R.

2013-03-01

Despite widespread interest, there are details of the tetragonal-orthorhombic structural phase transition in the iron arsenide superconductors that remain controversial. We have revisited the transition in three characteristic compositions of the canonical ``122'' family Ba(Fe/Co)2(As/P)2 using single crystal synchrotron x-ray diffraction. In the parent compound, we confirm previous observations of a sequence of structural transitions which are closely spaced in temperature, and uncover pronounced magnetoelastic effects in the intermediate orthorhombic phase. Modification of the structural transitions by doping is observed to differ significantly depending on whether the dopant is Co or P. Work performed at the Advanced Photon Source was supported by the DOE, under Contract No. DE-AC02-06CH11357.

Micro-Structural Study of Fretting Contact Caused by the Difference of the Tin Plating Thickness

NASA Astrophysics Data System (ADS)

Ito, Tetsuya; Sawada, Shigeru; Hattori, Yasuhiro; Saitoh, Yasushi; Tamai, Terutaka; Iida, Kazuo

In recent years, there has been increasing demand to miniaturize wiring harness connectors in automobiles due to the increasing volume of electronic equipment and the reduction of the installation space allocated for the electronic equipment in automobiles for the comfort of the passengers. With this demand, contact failure caused by the fretting corrosion is expected to become a serious problem. In this report, we examined micro-structural observations of fretting contacts of two different tin plating thicknesses using Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) and so on. Based on the results, we compared the microstructure difference of fretting contact caused by the difference of the tin plating thickness.

The Impacts of 3-D Earth Structure on GIA-Induced Crustal Deformation and Future Sea-Level Change in the Antarctic

NASA Astrophysics Data System (ADS)

Powell, E. M.; Hay, C.; Latychev, K.; Gomez, N. A.; Mitrovica, J. X.

2016-12-01

Glacial Isostatic Adjustment (GIA) models used to constrain the extent of past ice sheets and viscoelastic Earth structure, or to correct geodetic and geological observables for ice age effects, generally only consider depth-dependent variations in Earth viscosity and lithospheric structure. A et al. [2013] argued that 3-D Earth structure could impact GIA observables in Antarctica, but concluded that the presence of such structure contributes less to GIA uncertainty than do differences in Antarctic deglaciation histories. New seismic and geological evidence, however, indicates the Antarctic is underlain by complex, high amplitude variability in viscoelastic structure, including a low viscosity zone (LVZ) under West Antarctica. Hay et al. [2016] showed that sea-level fingerprints of modern melting calculated using such Earth models differ from those based on elastic or 1-D viscoelastic Earth models within decades of melting. Our investigation is motivated by two questions: (1) How does 3-D Earth structure, especially this LVZ, impact observations of GIA-induced crustal deformation associated with the last deglaciation? (2) How will 3-D Earth structure affect predictions of future sea-level rise in Antarctica? We compute the gravitationally self-consistent sea level, uplift, and gravity changes using the finite volume treatment of Latychev et al. [2005]. We consider four viscoelastic Earth models: a global 1-D model; a regional, West Antarctic-like 1-D model; a 3-D model where the lithospheric thickness varies laterally; and a 3-D model where both viscosity and lithospheric thickness vary laterally. For our Last Glacial Maximum to present investigations we employ ICE6g [Peltier et al., 2015]. For our present-future investigations we consider a melt scenario consistent with GRACE satellite gravity derived solutions [Harig et al., 2015]. Our calculations indicate that predictions of crustal deformations due to both GIA and ongoing melting are strongly influenced by 3-D lithospheric thickness and viscosity structure. Future sea level change due to ongoing melting is primarily influenced by 3-D viscosity structure. We show that 1-D Earth models built using regional inferences of viscosity and lithospheric thickness do not accurately capture the variability introduced by 3-D Earth structure.

The Impacts of 3-D Earth Structure on GIA-Induced Crustal Deformation and Future Sea-Level Change in the Antarctic

NASA Astrophysics Data System (ADS)

Powell, E. M.; Hay, C.; Latychev, K.; Gomez, N. A.; Mitrovica, J. X.

2017-12-01

Glacial Isostatic Adjustment (GIA) models used to constrain the extent of past ice sheets and viscoelastic Earth structure, or to correct geodetic and geological observables for ice age effects, generally only consider depth-dependent variations in Earth viscosity and lithospheric structure. A et al. [2013] argued that 3-D Earth structure could impact GIA observables in Antarctica, but concluded that the presence of such structure contributes less to GIA uncertainty than do differences in Antarctic deglaciation histories. New seismic and geological evidence, however, indicates the Antarctic is underlain by complex, high amplitude variability in viscoelastic structure, including a low viscosity zone (LVZ) under West Antarctica. Hay et al. [2016] showed that sea-level fingerprints of modern melting calculated using such Earth models differ from those based on elastic or 1-D viscoelastic Earth models within decades of melting. Our investigation is motivated by two questions: (1) How does 3-D Earth structure, especially this LVZ, impact observations of GIA-induced crustal deformation associated with the last deglaciation? (2) How will 3-D Earth structure affect predictions of future sea-level rise in Antarctica? We compute the gravitationally self-consistent sea level, uplift, and gravity changes using the finite volume treatment of Latychev et al. [2005]. We consider four viscoelastic Earth models: a global 1-D model; a regional, West Antarctic-like 1-D model; a 3-D model where the lithospheric thickness varies laterally; and a 3-D model where both viscosity and lithospheric thickness vary laterally. For our Last Glacial Maximum to present investigations we employ ICE6g [Peltier et al., 2015]. For our present-future investigations we consider a melt scenario consistent with GRACE satellite gravity derived solutions [Harig et al., 2015]. Our calculations indicate that predictions of crustal deformations due to both GIA and ongoing melting are strongly influenced by 3-D lithospheric thickness and viscosity structure. Future sea level change due to ongoing melting is primarily influenced by 3-D viscosity structure. We show that 1-D Earth models built using regional inferences of viscosity and lithospheric thickness do not accurately capture the variability introduced by 3-D Earth structure.

Verb Disposition in Argument Structure Alternations: A Corpus Study of the Dative Alternation in Dutch

ERIC Educational Resources Information Center

Colleman, Timothy

2009-01-01

Semantic accounts of verb pattern alternations often rely on observations about "verb disposition": the preference of verbs with particular lexical semantic characteristics for one of two competing constructions is taken as a clue to the semantic differences between the two constructions. For instance, it has been observed with regard to the…

Structural geology practice and learning, from the perspective of cognitive science

NASA Astrophysics Data System (ADS)

Shipley, Thomas F.; Tikoff, Basil; Ormand, Carol; Manduca, Cathy

2013-09-01

Spatial ability is required by practitioners and students of structural geology and so, considering spatial skills in the context of cognitive science has the potential to improve structural geology teaching and practice. Spatial thinking skills may be organized using three dichotomies, which can be linked to structural geology practice. First, a distinction is made between separating (attending to part of a whole) and combining (linking together aspects of the whole). While everyone has a basic ability to separate and combine, experts attend to differences guided by experiences of rock properties in context. Second, a distinction is made between seeing the relations among multiple objects as separate items or the relations within a single object with multiple parts. Experts can flexibly consider relations among or between objects to optimally reason about different types of spatial problems. Third, a distinction is made between reasoning about stationary and moving objects. Experts recognize static configurations that encode a movement history, and create mental models of the processes that led to the static state. The observations and inferences made by a geologist leading a field trip are compared with the corresponding observations and inferences made by a cognitive psychologist interested in spatial learning. The presented framework provides a vocabulary for discussing spatial skills both within and between the fields of structural geology and cognitive psychology.

Anisotropic properties of periodically polarity-inverted zinc oxide structures

NASA Astrophysics Data System (ADS)

Park, J. S.; Minegishi, T.; Lee, J. W.; Hong, S. K.; Song, J. H.; Lee, J. Y.; Yoon, E.; Yao, T.

2010-06-01

We report on the anisotropic structural properties of periodically polarity-inverted (PPI) ZnO structures grown on patterned templates. The etching and growth rates along ⟨112¯0⟩ direction of ZnO structures are higher than those of ⟨101¯0⟩ direction of ZnO films. From the strain evaluation by Raman spectroscopy, compressive strains are observed in all PPI ZnO samples with different stripe pattern size and the smaller pattern size is more effective to residual stress relaxation. The detailed structures at transition region show relationship with the anisotropic crystal quality.

AFM imaging of natural optical structures

NASA Astrophysics Data System (ADS)

Dallaeva, Dinara; Tománek, Pavel; Prokopyeva, Elena; Kaspar, Pavel; Grmela, Lubomír.; Škarvada, Pavel

2015-01-01

The colors of some living organisms assosiated with the surface structure. Irridesence butterfly wings is an example of such coloration. Optical effects such as interference, diffraction, polarization are responsible for physical colors appearance. Alongside with amazing beauty this structure represent interest for design of optical devices. Here we report the results of morphology investigation by atomic force microscopy. The difference in surface structure of black and blue wings areas is clearly observed. It explains the angle dependence of the wing blue color, since these micrometer and sub-micrometer quasiperiodical structures could control the light propagation, absorption and reflection.

Investigation of impact phenomena on the marine structures: Part II - Internal energy of the steel structure applied by selected materials in the ship-ship collision incidents

NASA Astrophysics Data System (ADS)

Prabowo, A. R.; Baek, S. J.; Lee, S. G.; Bae, D. M.; Sohn, J. M.

2018-01-01

Phenomena of impact loads on the marine structures has attracted attention to be predicted regarding its influences to structural damage. This part demands sustainable analysis and observation as tendency may vary from one to others since impact involves various scenario models and the structure itself experiences continuous development. Investigation of the damage extent can be conducted by observation on the energy behaviour during two entities involve in a contact. This study aimed to perform numerical investigation to predict structural damage by assessing absorbed strain energy represented by the internal energy during a series of ship collisions. The collision target in ship-ship interactions were determined on the single and double hulls part of a passenger ship. Tendency of the internal energy by the steel structures was summarized, and verification was presented by several crashworthiness criteria. It was found that steel structures applied by the material grades A and B produced different tendencies compared to the material grades D and E. Effect of the structural arrangement to structural responses in terms of strain and stress indicated that the single hull presented contour expansion mainly on the longitudinal directions.

Surface microstructure of bitumen characterized by atomic force microscopy.

PubMed

Yu, Xiaokong; Burnham, Nancy A; Tao, Mingjiang

2015-04-01

Bitumen, also called asphalt binder, plays important roles in many industrial applications. It is used as the primary binding agent in asphalt concrete, as a key component in damping systems such as rubber, and as an indispensable additive in paint and ink. Consisting of a large number of hydrocarbons of different sizes and polarities, together with heteroatoms and traces of metals, bitumen displays rich surface microstructures that affect its rheological properties. This paper reviews the current understanding of bitumen's surface microstructures characterized by Atomic Force Microscopy (AFM). Microstructures of bitumen develop to different forms depending on crude oil source, thermal history, and sample preparation method. While some bitumens display surface microstructures with fine domains, flake-like domains, and dendrite structuring, 'bee-structures' with wavy patterns several micrometers in diameter and tens of nanometers in height are commonly seen in other binders. Controversy exists regarding the chemical origin of the 'bee-structures', which has been related to the asphaltene fraction, the metal content, or the crystallizing waxes in bitumen. The rich chemistry of bitumen can result in complicated intermolecular associations such as coprecipitation of wax and metalloporphyrins in asphaltenes. Therefore, it is the molecular interactions among the different chemical components in bitumen, rather than a single chemical fraction, that are responsible for the evolution of bitumen's diverse microstructures, including the 'bee-structures'. Mechanisms such as curvature elasticity and surface wrinkling that explain the rippled structures observed in polymer crystals might be responsible for the formation of 'bee-structures' in bitumen. Despite the progress made on morphological characterization of bitumen using AFM, the fundamental question whether the microstructures observed on bitumen surfaces represent its bulk structure remains to be addressed. In addition, critical technical challenges associated with AFM characterization of bitumen surface structures are discussed, with possible solutions recommended. For future work, combining AFM with other chemical analysis tools that can generate comparable high resolution to AFM would provide an avenue to linking bitumen's chemistry to its microscopic morphological and mechanical properties and consequently benefit the efforts of developing structure-related models for bituminous materials across the different length scales. Copyright © 2015 Elsevier B.V. All rights reserved.

Modelling Spatial Dependence Structures Between Climate Variables by Combining Mixture Models with Copula Models

NASA Astrophysics Data System (ADS)

Khan, F.; Pilz, J.; Spöck, G.

2017-12-01

Spatio-temporal dependence structures play a pivotal role in understanding the meteorological characteristics of a basin or sub-basin. This further affects the hydrological conditions and consequently will provide misleading results if these structures are not taken into account properly. In this study we modeled the spatial dependence structure between climate variables including maximum, minimum temperature and precipitation in the Monsoon dominated region of Pakistan. For temperature, six, and for precipitation four meteorological stations have been considered. For modelling the dependence structure between temperature and precipitation at multiple sites, we utilized C-Vine, D-Vine and Student t-copula models. For temperature, multivariate mixture normal distributions and for precipitation gamma distributions have been used as marginals under the copula models. A comparison was made between C-Vine, D-Vine and Student t-copula by observational and simulated spatial dependence structure to choose an appropriate model for the climate data. The results show that all copula models performed well, however, there are subtle differences in their performances. The copula models captured the patterns of spatial dependence structures between climate variables at multiple meteorological sites, however, the t-copula showed poor performance in reproducing the dependence structure with respect to magnitude. It was observed that important statistics of observed data have been closely approximated except of maximum values for temperature and minimum values for minimum temperature. Probability density functions of simulated data closely follow the probability density functions of observational data for all variables. C and D-Vines are better tools when it comes to modelling the dependence between variables, however, Student t-copulas compete closely for precipitation. Keywords: Copula model, C-Vine, D-Vine, Spatial dependence structure, Monsoon dominated region of Pakistan, Mixture models, EM algorithm.

Variability of cirrus clouds in a convective outflow during the Hibiscus campaign

NASA Astrophysics Data System (ADS)

Fierli, F.; di Donfrancesco, G.; Cairo, F.; Marécal, V.; Zampieri, M.; Orlandi, E.; Durry, G.

2008-08-01

Light-weight microlidar and water vapour measurements were taken on-board a stratospheric balloon during the HIBISCUS 2004 campaign, held in Bauru, Brazil (49° W, 22° S). Cirrus clouds were observed throughout the flight between 12 and 15 km height with a high mesoscale variability in optical and microphysical properties. It was found that the cirrus clouds were composed of different layers characterized by marked differences in height, thickness and optical properties. Simultaneous water vapour observations show that the different layers are characterized by different values of the saturation with respect to ice. A mesoscale simulation and a trajectory analysis clearly revealed that the clouds had formed in the outflow of a large and persistent convective region and that the observed variability of the optical properties and of the cloud structure is likely linked to the different residence times of the convectively-processed air in the upper troposphere.

Hematopoietic cytokines: similarities and differences in the structures, with implications for receptor binding.

PubMed Central

Wlodawer, A.; Pavlovsky, A.; Gustchina, A.

1993-01-01

Crystal and NMR structures of helical cytokines--interleukin-4 (IL-4), granulocyte-macrophage colony-stimulating factor (GM-CSF), and interleukin-2 (IL-2)--have been compared. Root mean square deviations in the C alpha coordinates for the conserved regions of the helices were 1-2 A between different cytokines, about twice the differences observed for independently determined crystal and solution structures of IL-4. Considerable similarity in amino acid sequence in the areas expected to interact with the receptors was detected, and the available mutagenesis data for these cytokines were correlated with structure conservation. Models of cytokine-receptor interactions were postulated for IL-4 based on its structure as well as on the published structure of human growth hormone interacting with its receptors (de Vos, A.M., Ultsch, M., & Kossiakoff, A.A., 1992, Science 255, 306-312). Patches of positively charged residues on the surfaces of helices C and D of IL-4 may be responsible for the interactions with the negatively charged residues found in the complementary parts of the IL-4 receptors. PMID:8401223

Electromagnetic and muonic structure of showers initiated by gamma-rays and by hadrons

NASA Technical Reports Server (NTRS)

Hillas, A. M.

1985-01-01

If photon cascades develop by the usual mechanisms, there should indeed be notable differences between the structure of showers due to photon and hadron primaries, as regards muon densities and lateral distributions of some detector signals. The muon content of showers from Cygnus X-3, observed at Kiel, cannot be understood in this way. One remedy is to postulate arbitrarily a strong hadronic interaction of photons in the TeV region. This would utterly change the nature of electromagnetic cascades, but surprisingly does not at first sight seem to be in conflict with air shower observations.

Structural and mechanical behaviour of LLDPE/HNT nanocomposite films

NASA Astrophysics Data System (ADS)

Čermák, M.; Kadlec, P.; Šutta, P.; Polanský, R.

2016-03-01

The paper briefly describes structural and mechanical influences of Halloysite nanotubes (HNT) in different level of fulfilment (0, 1, 3, 7 wt%) in the LLDPE commonly used in the cable industry. The influence of HNT on the polymer has been observed and evaluated through the average crystallite size and the micro- deformation by X-Ray diffractometry and the imaging of SEM. Despite the certain inter-phase tension between the polymer and HNT, the influence on the mechanical and combustion behaviour was observed. Measurement showed a higher content of agglomerates in the sample with 7 wt% HNT fulfilment.

A tidal explanation for the sunrise/sunset anomaly in HALOE low-latitude nitric oxide observations

NASA Astrophysics Data System (ADS)

Marsh, Daniel R.; Russell, James M., III

2000-10-01

The difference in sunrise and sunset low-latitude nitric oxide (NO) mixing ratios in the mesosphere and lower thermosphere (MLT) is shown to be consistent with a perturbation induced by the migrating diurnal tide. The vertical wind of the tide can induce factor of 2 changes over 12 hours at the equator. The vertical, latitudinal and temporal structure of NO perturbations closely matches the structure of vertical winds from a tidal model. In addition, previous observations of the seasonal and interannual variation in the tidal wind appear to correlate with NO variations.

Reconsideration of Natural Monuments No. 413 (Mungokri Stromatolite) of Chosun Supergroup, Korea

NASA Astrophysics Data System (ADS)

KONG, Dal Yong; LEE, Seong Joo

2014-05-01

Stromatolite-like structures, so-called "Mungokri Stromatolite", which is located along the cliff of creeks in the vicinity of Oman bridge, Mungok-ri, Yeongwol, Kangweondo was designated as Natural Monument No. 413 in March, 2000. The Mungokri Stromatolite resembles LLH(laterally-linked hemispheroid) type stromatolite, each dome of which is laterally connected forming a stromatolite bed. The Mungokri Stromatolite, however, cannot be regarded as stromatolite because domal structure and fine lamination (the most diagnostic character) cannot be observed both in the field and through the petrological thin section. The smooth surface structure and very thin, irregular cracks characterized in the surface of the Mungokri Stromatolite also differ from those of a normal stromatolite. Such differences strongly suggest that the Mungokri Stromatolite is not a stromatolite but an algal mound. If we take considerations: 1) general lithology and sedimentary structures of Socheong island, 2) observation that angles of columns' inclination are not consistent throughout the stromatolite beds, and that vertical columns are also found in stromatolite beds, 3) igneous intrusion that would have caused structural deformation of sedimentary rocks of Socheong island, the inclination of Socheong stromatolites could be better interpreted as a secondary structural deformation probably after formation of stromatolite columns, rather than as a result of heliotropism. Consequently, renaming of the Mungokri Stromatolite, Natural Monument No. 413, is necessary. [Acknowledgments] This research was financially supported by the National Research Institute of Cultural Heritage.

Color constancy influenced by unnatural spatial structure.

PubMed

Mizokami, Yoko; Yaguchi, Hirohisa

2014-04-01

The recognition of spatial structures is important for color constancy because we cannot identify an object's color under different illuminations without knowing which space it is in and how that space is illuminated. To show the importance of the natural structure of environments on color constancy, we investigated the way in which color appearance was affected by unnatural viewing conditions in which a spatial structure was distorted. Observers judged the color of a test patch placed in the center of a small room illuminated by white or reddish lights, as well as two rooms illuminated by white and reddish light, respectively. In the natural viewing condition, an observer saw the room(s) through a viewing window, whereas in an unnatural viewing condition, the scene structure was scrambled by a kaleidoscope-type viewing box. Results of single room condition with one illuminant color showed little difference in color constancy between the two viewing conditions. However, it decreased in the two-rooms condition with a more complex arrangement of space and illumination. The patch's appearance under the unnatural viewing condition was more influenced by simultaneous contrast than its appearance under the natural viewing condition. It also appears that color appearance under white illumination is more stable compared to that under reddish illumination. These findings suggest that natural spatial structure plays an important role for color constancy in a complex environment.

Structure of fenchone by broadband rotational spectroscopy

NASA Astrophysics Data System (ADS)

Loru, Donatella; Bermúdez, Miguel A.; Sanz, M. Eugenia

2016-08-01

The bicyclic terpenoid fenchone (C10H16O, 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one) has been investigated by chirped pulse Fourier transform microwave spectroscopy in the 2-8 GHz frequency region. The parent species and all heavy atom isotopologues have been observed in their natural abundance. The experimental rotational constants of all isotopic species observed have been determined and used to obtain the substitution (rs) and effective (r0) structures of fenchone. Calculations at the B3LYP, M06-2X, and MP2 levels of theory with different basis sets were carried out to check their performance against experimental results. The structure of fenchone has been compared with those of norbornane (bicyclo[2.2.1]heptane) and the norbornane derivatives camphor (1,7,7-trimethylbicyclo[2.2.1]heptan-2-one) and camphene (3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane), both with substituents at C2. The structure of fenchone is remarkably similar to those of camphor and camphene. Comparison with camphor allows identification of changes in ∠CCC angles due to the different position of the methyl groups. All norbornane derivatives display similar structural changes with respect to norbornane. These changes mainly affect the bond lengths and angles of the six-membered rings, indicating that the substituent at C2 drives structural adjustments to minimise ring strain after its introduction.

Establishing a link between sex-related differences in the structural connectome and behaviour.

PubMed

Tunç, Birkan; Solmaz, Berkan; Parker, Drew; Satterthwaite, Theodore D; Elliott, Mark A; Calkins, Monica E; Ruparel, Kosha; Gur, Raquel E; Gur, Ruben C; Verma, Ragini

2016-02-19

Recent years have witnessed an increased attention to studies of sex differences, partly because such differences offer important considerations for personalized medicine. While the presence of sex differences in human behaviour is well documented, our knowledge of their anatomical foundations in the brain is still relatively limited. As a natural gateway to fathom the human mind and behaviour, studies concentrating on the human brain network constitute an important segment of the research effort to investigate sex differences. Using a large sample of healthy young individuals, each assessed with diffusion MRI and a computerized neurocognitive battery, we conducted a comprehensive set of experiments examining sex-related differences in the meso-scale structures of the human connectome and elucidated how these differences may relate to sex differences at the level of behaviour. Our results suggest that behavioural sex differences, which indicate complementarity of males and females, are accompanied by related differences in brain structure across development. When using subnetworks that are defined over functional and behavioural domains, we observed increased structural connectivity related to the motor, sensory and executive function subnetworks in males. In females, subnetworks associated with social motivation, attention and memory tasks had higher connectivity. Males showed higher modularity compared to females, with females having higher inter-modular connectivity. Applying multivariate analysis, we showed an increasing separation between males and females in the course of development, not only in behavioural patterns but also in brain structure. We also showed that these behavioural and structural patterns correlate with each other, establishing a reliable link between brain and behaviour. © 2016 The Author(s).

Structural dynamics and aerodynamics measurements of biologically inspired flexible flapping wings.

PubMed

Wu, P; Stanford, B K; Sällström, E; Ukeiley, L; Ifju, P G

2011-03-01

Flapping wing flight as seen in hummingbirds and insects poses an interesting unsteady aerodynamic problem: coupling of wing kinematics, structural dynamics and aerodynamics. There have been numerous studies on the kinematics and aerodynamics in both experimental and computational cases with both natural and artificial wings. These studies tend to ignore wing flexibility; however, observation in nature affirms that passive wing deformation is predominant and may be crucial to the aerodynamic performance. This paper presents a multidisciplinary experimental endeavor in correlating a flapping micro air vehicle wing's aeroelasticity and thrust production, by quantifying and comparing overall thrust, structural deformation and airflow of six pairs of hummingbird-shaped membrane wings of different properties. The results show that for a specific spatial distribution of flexibility, there is an effective frequency range in thrust production. The wing deformation at the thrust-productive frequencies indicates the importance of flexibility: both bending and twisting motion can interact with aerodynamic loads to enhance wing performance under certain conditions, such as the deformation phase and amplitude. By measuring structural deformations under the same aerodynamic conditions, beneficial effects of passive wing deformation can be observed from the visualized airflow and averaged thrust. The measurements and their presentation enable observation and understanding of the required structural properties for a thrust effective flapping wing. The intended passive responses of the different wings follow a particular pattern in correlation to their aerodynamic performance. Consequently, both the experimental technique and data analysis method can lead to further studies to determine the design principles for micro air vehicle flapping wings.

The Three-part Structure of a Filament-unrelated Solar Coronal Mass Ejection

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

Song, H. Q.; Chen, Y.; Wang, B.

Coronal mass ejections (CMEs) often exhibit the typical three-part structure in the corona when observed with white-light coronagraphs, i.e., the bright leading front, dark cavity, and bright core, corresponding to a high-low-high density sequence. As CMEs result from eruptions of magnetic flux ropes (MFRs), which can possess either lower (e.g., coronal-cavity MFRs) or higher (e.g., hot-channel MFRs) density compared to their surroundings in the corona, the traditional opinion regards the three-part structure as the manifestations of coronal plasma pileup (high density), coronal-cavity MFR (low density), and filament (high density) contained in the trailing part of MFR, respectively. In this paper,more » we demonstrate that filament-unrelated CMEs can also exhibit the classical three-part structure. The observations were made from different perspectives through an event that occurred on 2011 October 4. The CME cavity corresponds to the low-density zone between the leading front and the high-density core, and it is obvious in the low corona and gradually becomes fuzzy when propagating outward. The bright core corresponds to a high-density structure that is suggested to be an erupting MFR. The MFR is recorded from both edge-on and face-on perspectives, exhibiting different morphologies that are due to projection effects. We stress that the zone (MFR) with lower (higher) density in comparison to the surroundings can appear as the dark cavity (bright core) when observed through white-light coronagraphs, which is not necessarily the coronal-cavity MFR (erupted filament).« less

Effect of wet grinding on structural properties of ball clay

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

Purohit, A., E-mail: anuradha.purohit34@gmail.com; Chander, S.; Dhaka, M. S.

2015-05-15

In this paper, the effect of wet grinding on structural properties of ball clay is undertaken. The wet grinding treatment was performed employing ball and vibro mills for different time spells of 2, 4, 8 and 16 hours. The structural properties were carried out using X-ray diffraction (XRD). The structure of ground samples is found to be simple cubic. The crystallographic parameters are calculated and slight change in lattice constant, inter planner spacing and particle size is observed with grinding treatment. The results are in agreement with the available literature.

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.

Sex-related differences in behavioral and amygdalar responses to compound facial threat cues.

PubMed

Im, Hee Yeon; Adams, Reginald B; Cushing, Cody A; Boshyan, Jasmine; Ward, Noreen; Kveraga, Kestutis

2018-03-08

During face perception, we integrate facial expression and eye gaze to take advantage of their shared signals. For example, fear with averted gaze provides a congruent avoidance cue, signaling both threat presence and its location, whereas fear with direct gaze sends an incongruent cue, leaving threat location ambiguous. It has been proposed that the processing of different combinations of threat cues is mediated by dual processing routes: reflexive processing via magnocellular (M) pathway and reflective processing via parvocellular (P) pathway. Because growing evidence has identified a variety of sex differences in emotional perception, here we also investigated how M and P processing of fear and eye gaze might be modulated by observer's sex, focusing on the amygdala, a structure important to threat perception and affective appraisal. We adjusted luminance and color of face stimuli to selectively engage M or P processing and asked observers to identify emotion of the face. Female observers showed more accurate behavioral responses to faces with averted gaze and greater left amygdala reactivity both to fearful and neutral faces. Conversely, males showed greater right amygdala activation only for M-biased averted-gaze fear faces. In addition to functional reactivity differences, females had proportionately greater bilateral amygdala volumes, which positively correlated with behavioral accuracy for M-biased fear. Conversely, in males only the right amygdala volume was positively correlated with accuracy for M-biased fear faces. Our findings suggest that M and P processing of facial threat cues is modulated by functional and structural differences in the amygdalae associated with observer's sex. © 2018 Wiley Periodicals, Inc.

Interlamellar adsorption of carbon dioxide by smectites

USGS Publications Warehouse

Fripiat, J.J.; Cruz, M.I.; Bohor, B.F.; Thomas, J.

1974-01-01

The adsorption of CO2 at low temperature (∼ −70°C) on thin films of homoionic smectites was studied by X-ray diffraction and by i.r. absorption. An increase in the d001 spacings of these clay films upon adsorption of CO2 was observed. In addition, a dichroic effect was readily discernible by comparing the i.r. spectra at two different orientations of the smectite films; i.e. with the film normal and tilted 35° with respect to the i.r. beam. The CO2 stretching vibration at 2350 cm−1 was used for the i.r. study. These observations conclusively show that CO2 intercalates the smectite structure rather than being adsorbed only in pores between clay tactoids—the limiting process proposed by other investigators.Adsorption isotherm data from earlier surface area studies are re-examined here through application of the Dubinin equation. Again, intercalation is demonstrated by convergence of the plotted experimental data for smectites containing large monovalent interlayer cations toward a pore volume that is near the calculated theoretical value for a monolayer of intercalated CO2.Scanning electron photomicrographs of Li- and Cs- smectites provide additional evidence that aggregation differences are not responsible for the large observed difference in BET surface areas obtained for these smectites with CO2 as the adsorbate. At low magnification, visual differences in macro-aggregates are apparent, but at high magnification no significant differences are observed in the micro-structure of individual aggregates where the major amount of gas adsorption really occurs.

Dust Density Distribution and Imaging Analysis of Different Ice Lines in Protoplanetary Disks

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

Pinilla, P.; Pohl, A.; Stammler, S. M.

Recent high angular resolution observations of protoplanetary disks at different wavelengths have revealed several kinds of structures, including multiple bright and dark rings. Embedded planets are the most used explanation for such structures, but there are alternative models capable of shaping the dust in rings as it has been observed. We assume a disk around a Herbig star and investigate the effect that ice lines have on the dust evolution, following the growth, fragmentation, and dynamics of multiple dust size particles, covering from 1 μ m to 2 m sized objects. We use simplified prescriptions of the fragmentation velocity threshold,more » which is assumed to change radially at the location of one, two, or three ice lines. We assume changes at the radial location of main volatiles, specifically H{sub 2}O, CO{sub 2}, and NH{sub 3}. Radiative transfer calculations are done using the resulting dust density distributions in order to compare with current multiwavelength observations. We find that the structures in the dust density profiles and radial intensities at different wavelengths strongly depend on the disk viscosity. A clear gap of emission can be formed between ice lines and be surrounded by ring-like structures, in particular between the H{sub 2}O and CO{sub 2} (or CO). The gaps are expected to be shallower and narrower at millimeter emission than at near-infrared, opposite to model predictions of particle trapping. In our models, the total gas surface density is not expected to show strong variations, in contrast to other gap-forming scenarios such as embedded giant planets or radial variations of the disk viscosity.« less

An extensive spectroscopic time series of three Wolf-Rayet stars - I. The lifetime of large-scale structures in the wind of WR 134

NASA Astrophysics Data System (ADS)

Aldoretta, E. J.; St-Louis, N.; Richardson, N. D.; Moffat, A. F. J.; Eversberg, T.; Hill, G. M.; Shenar, T.; Artigau, É.; Gauza, B.; Knapen, J. H.; Kubát, J.; Kubátová, B.; Maltais-Tariant, R.; Muñoz, M.; Pablo, H.; Ramiaramanantsoa, T.; Richard-Laferrière, A.; Sablowski, D. P.; Simón-Díaz, S.; St-Jean, L.; Bolduan, F.; Dias, F. M.; Dubreuil, P.; Fuchs, D.; Garrel, T.; Grutzeck, G.; Hunger, T.; Küsters, D.; Langenbrink, M.; Leadbeater, R.; Li, D.; Lopez, A.; Mauclaire, B.; Moldenhawer, T.; Potter, M.; dos Santos, E. M.; Schanne, L.; Schmidt, J.; Sieske, H.; Strachan, J.; Stinner, E.; Stinner, P.; Stober, B.; Strandbaek, K.; Syder, T.; Verilhac, D.; Waldschläger, U.; Weiss, D.; Wendt, A.

2016-08-01

During the summer of 2013, a 4-month spectroscopic campaign took place to observe the variabilities in three Wolf-Rayet stars. The spectroscopic data have been analysed for WR 134 (WN6b), to better understand its behaviour and long-term periodicity, which we interpret as arising from corotating interaction regions (CIRs) in the wind. By analysing the variability of the He II λ5411 emission line, the previously identified period was refined to P = 2.255 ± 0.008 (s.d.) d. The coherency time of the variability, which we associate with the lifetime of the CIRs in the wind, was deduced to be 40 ± 6 d, or ˜18 cycles, by cross-correlating the variability patterns as a function of time. When comparing the phased observational grey-scale difference images with theoretical grey-scales previously calculated from models including CIRs in an optically thin stellar wind, we find that two CIRs were likely present. A separation in longitude of Δφ ≃ 90° was determined between the two CIRs and we suggest that the different maximum velocities that they reach indicate that they emerge from different latitudes. We have also been able to detect observational signatures of the CIRs in other spectral lines (C IV λλ5802,5812 and He I λ5876). Furthermore, a DAC was found to be present simultaneously with the CIR signatures detected in the He I λ5876 emission line which is consistent with the proposed geometry of the large-scale structures in the wind. Small-scale structures also show a presence in the wind, simultaneously with the larger scale structures, showing that they do in fact co-exist.

Lidar Altimeter Measurements of Canopy Structure: Methods and Validation for Closed Canopy, Broadleaf Forests

NASA Technical Reports Server (NTRS)

Harding, D. J.; Lefsky, M. A.; Parker, G. G.; Blair, J. B.

1999-01-01

Lidar altimeter observations of vegetated landscapes provide a time-resolved measure of laser pulse backscatter energy from canopy surfaces and the underlying ground. Airborne lidar altimeter data was acquired using the Scanning Lidar Imager of Canopies by Echo Recovery (SLICER) for a successional sequence of four, closed-canopy, deciduous forest stands in eastern Maryland. The four stands were selected so as to include a range of canopy structures of importance to forest ecosystem function, including variation in the height and roughness of the outer-most canopy surface and the vertical organization of canopy stories and gaps. The character of the SLICER backscatter signal is described and a method is developed that accounts for occlusion of the laser energy by canopy surfaces, transforming the backscatter signal to a canopy height profile (CHP) that quantitatively represents the relative vertical distribution of canopy surface area. The transformation applies an increased weighting to the backscatter amplitude as a function of closure through the canopy and assumes a horizontally random distribution of the canopy components. SLICER CHPs, averaged over areas of overlap where lidar ground tracks intersect, are shown to be highly reproducible. CHP transects across the four stands reveal spatial variations in vegetation, at the scale of the individual 10 m diameter laser footprints, within and between stands. Averaged SLICER CHPs are compared to analogous height profile results derived from ground-based sightings to plant intercepts measured on plots within the four stands. Tbe plots were located on the segments of the lidar ground tracks from which averaged SLICER CHPs were derived, and the ground observations were acquired within two weeks of the SLICER data acquisition to minimize temporal change. The differences in canopy structure between the four stands is similarly described by the SLICER and ground-based CHP results, however a Chi-square test of similarity documents differences that are statistically significant. The differences are discussed in terms of measurement properties that define the smoothness of the resulting CHPs and Lidar Altimeter Measurements of Canopy Structure - Harding et al. canopy properties that may vertically bias the CHP representations of canopy structure. The statistical differences are most likely due to the more noisy character of the ground-based CHPs, especially high in the canopy where ground-based sightings are rare resulting in an underestimate of canopy surface area and height, and to departures from the assumption of horizontal randomness which bias the CHPs toward the observer (upward for SLICER and downward for ground-based CHPs). The results demonstrate that the SLICER observations reliably provide a measure of canopy structure that reveals ecologically interesting structural variations such as those characterizing a successional sequence of closed-canopy, broadleaf forest stands.

Hyperspectral optical imaging of two different species of lepidoptera

PubMed Central

2011-01-01

In this article, we report a hyperspectral optical imaging application for measurement of the reflectance spectra of photonic structures that produce structural colors with high spatial resolution. The measurement of the spectral reflectance function is exemplified in the butterfly wings of two different species of Lepidoptera: the blue iridescence reflected by the nymphalid Morpho didius and the green iridescence of the papilionid Papilio palinurus. Color coordinates from reflectance spectra were calculated taking into account human spectral sensitivity. For each butterfly wing, the observed color is described by a characteristic color map in the chromaticity diagram and spreads over a limited volume in the color space. The results suggest that variability in the reflectance spectra is correlated with different random arrangements in the spatial distribution of the scales that cover the wing membranes. Hyperspectral optical imaging opens new ways for the non-invasive study and classification of different forms of irregularity in structural colors. PMID:21711872

Relationship between birth order of spouses with different degrees of consanguineous relationship.

PubMed

Reddy, B M; Malhotra, K C

1991-08-01

The relationship between birth order of spouses with different degrees of consanguinity is examined in a sample of 1826 couples belonging to the endogamous Vadde Fisherfolk of Kolleru Lake, Andhra Pradesh, India. We attempt to explain the wide variation in the frequency of different kinds of consanguineous marriages through the age-sex structure of the population in general and especially of the related families. This structure may also be manifested in the association between the birth orders of spouses. A highly significant and large correlation between the birth orders of spouses in uncle-niece marriages and a gradual decrease in the correlation with increase in remoteness of the relationship between the spouses were observed. Given the distribution of age differences between the spouses and assuming a standard age-sex structure, it seems possible to estimate the optimum frequency with which at least close consanguineous marriages occur in any particular population.

BMP delivery complements the guiding effect of scaffold architecture without altering bone microstructure in critical-sized long bone defects: A multiscale analysis.

PubMed

Cipitria, A; Wagermaier, W; Zaslansky, P; Schell, H; Reichert, J C; Fratzl, P; Hutmacher, D W; Duda, G N

2015-09-01

Scaffold architecture guides bone formation. However, in critical-sized long bone defects additional BMP-mediated osteogenic stimulation is needed to form clinically relevant volumes of new bone. The hierarchical structure of bone determines its mechanical properties. Yet, the micro- and nanostructure of BMP-mediated fast-forming bone has not been compared with slower regenerating bone without BMP. We investigated the combined effects of scaffold architecture (physical cue) and BMP stimulation (biological cue) on bone regeneration. It was hypothesized that a structured scaffold directs tissue organization through structural guidance and load transfer, while BMP stimulation accelerates bone formation without altering the microstructure at different length scales. BMP-loaded medical grade polycaprolactone-tricalcium phosphate scaffolds were implanted in 30mm tibial defects in sheep. BMP-mediated bone formation after 3 and 12 months was compared with slower bone formation with a scaffold alone after 12 months. A multiscale analysis based on microcomputed tomography, histology, polarized light microscopy, backscattered electron microscopy, small angle X-ray scattering and nanoindentation was used to characterize bone volume, collagen fiber orientation, mineral particle thickness and orientation, and local mechanical properties. Despite different observed kinetics in bone formation, similar structural properties on a microscopic and sub-micron level seem to emerge in both BMP-treated and scaffold only groups. The guiding effect of the scaffold architecture is illustrated through structural differences in bone across different regions. In the vicinity of the scaffold increased tissue organization is observed at 3 months. Loading along the long bone axis transferred through the scaffold defines bone micro- and nanostructure after 12 months. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Early differential sensitivity of evoked-potentials to local and global shape during the perception of three-dimensional objects.

PubMed

Leek, E Charles; Roberts, Mark; Oliver, Zoe J; Cristino, Filipe; Pegna, Alan J

2016-08-01

Here we investigated the time course underlying differential processing of local and global shape information during the perception of complex three-dimensional (3D) objects. Observers made shape matching judgments about pairs of sequentially presented multi-part novel objects. Event-related potentials (ERPs) were used to measure perceptual sensitivity to 3D shape differences in terms of local part structure and global shape configuration - based on predictions derived from hierarchical structural description models of object recognition. There were three types of different object trials in which stimulus pairs (1) shared local parts but differed in global shape configuration; (2) contained different local parts but shared global configuration or (3) shared neither local parts nor global configuration. Analyses of the ERP data showed differential amplitude modulation as a function of shape similarity as early as the N1 component between 146-215ms post-stimulus onset. These negative amplitude deflections were more similar between objects sharing global shape configuration than local part structure. Differentiation among all stimulus types was reflected in N2 amplitude modulations between 276-330ms. sLORETA inverse solutions showed stronger involvement of left occipitotemporal areas during the N1 for object discrimination weighted towards local part structure. The results suggest that the perception of 3D object shape involves parallel processing of information at local and global scales. This processing is characterised by relatively slow derivation of 'fine-grained' local shape structure, and fast derivation of 'coarse-grained' global shape configuration. We propose that the rapid early derivation of global shape attributes underlies the observed patterns of N1 amplitude modulations. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Microstructural characteristics of adiabatic shear localization in a metastable beta titanium alloy deformed at high strain rate and elevated temperatures

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

Zhan, Hongyi, E-mail: h.zhan@uq.edu.au; Zeng, Weidong; Wang, Gui

2015-04-15

The microstructural evolution and grain refinement within adiabatic shear bands in the Ti6554 alloy deformed at high strain rates and elevated temperatures have been characterized using transmission electron microscopy. No stress drops were observed in the corresponding stress–strain curve, indicating that the initiation of adiabatic shear bands does not lead to the loss of load capacity for the Ti6554 alloy. The outer region of the shear bands mainly consists of cell structures bounded by dislocation clusters. Equiaxed subgrains in the core area of the shear band can be evolved from the subdivision of cell structures or reconstruction and transverse segmentationmore » of dislocation clusters. It is proposed that dislocation activity dominates the grain refinement process. The rotational recrystallization mechanism may operate as the kinetic requirements for it are fulfilled. The coexistence of different substructures across the shear bands implies that the microstructural evolution inside the shear bands is not homogeneous and different grain refinement mechanisms may operate simultaneously to refine the structure. - Graphical abstract: Display Omitted - Highlights: • The microstructure within the adiabatic shear band was characterized by TEM. • No stress drops were observed in the corresponding stress–strain curve. • Dislocation activity dominated the grain refinement process. • The kinetic requirements for rotational recrystallization mechanism were fulfilled. • Different grain refinement mechanisms operated simultaneously to refine the structure.« less

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

Sabin, Charles; Plevka, Pavel, E-mail: pavel.plevka@ceitec.muni.cz

Molecular replacement and noncrystallographic symmetry averaging were used to detwin a data set affected by perfect hemihedral twinning. The noncrystallographic symmetry averaging of the electron-density map corrected errors in the detwinning introduced by the differences between the molecular-replacement model and the crystallized structure. Hemihedral twinning is a crystal-growth anomaly in which a specimen is composed of two crystal domains that coincide with each other in three dimensions. However, the orientations of the crystal lattices in the two domains differ in a specific way. In diffraction data collected from hemihedrally twinned crystals, each observed intensity contains contributions from both of themore » domains. With perfect hemihedral twinning, the two domains have the same volumes and the observed intensities do not contain sufficient information to detwin the data. Here, the use of molecular replacement and of noncrystallographic symmetry (NCS) averaging to detwin a 2.1 Å resolution data set for Aichi virus 1 affected by perfect hemihedral twinning is described. The NCS averaging enabled the correction of errors in the detwinning introduced by the differences between the molecular-replacement model and the crystallized structure. The procedure permitted the structure to be determined from a molecular-replacement model that had 16% sequence identity and a 1.6 Å r.m.s.d. for C{sup α} atoms in comparison to the crystallized structure. The same approach could be used to solve other data sets affected by perfect hemihedral twinning from crystals with NCS.« less

Generic Structure of the Blurbs in Pakistani E-Socio-Romantic Novels

ERIC Educational Resources Information Center

Asghar, Zobina Muhammad; Mahmood, Muhammad Asim; Asghar, Samina Ali

2015-01-01

This paper studies the generic move structure of the blurbs of Electronic Socio-romantic novels published in Pakistan. It explores the move schema, the number of moves and their order in different blurbs. It also observes the most focused and the most neglected move in these blurbs. 20 book blurbs have been collected from online source and the…

The mean magnetic field of the sun: Observations at Stanford

NASA Technical Reports Server (NTRS)

Scherrer, P. H.; Wilcox, J. M.; Svalgaard, L.; Duvall, T. L., Jr.; Dittmer, P. H.; Gustafson, E. K.

1977-01-01

A solar telescope was built at Stanford University to study the organization and evolution of large-scale solar magnetic fields and velocities. The observations are made using a Babcock-type magnetograph which is connected to a 22.9 m vertical Littrow spectrograph. Sun-as-a-star integrated light measurements of the mean solar magnetic field were made daily since May 1975. The typical mean field magnitude is about 0.15 gauss with typical measurement error less than 0.05 gauss. The mean field polarity pattern is essentially identical to the interplanetary magnetic field sector structure (seen near the earth with a 4 day lag). The differences in the observed structures can be understood in terms of a warped current sheet model.

Structural Basis of Differential Neutralization of DENV-1 Genotypes by an Antibody that Recognizes a Cryptic Epitope

PubMed Central

Austin, S. Kyle; Dowd, Kimberly A.; Shrestha, Bimmi; Nelson, Christopher A.; Edeling, Melissa A.; Johnson, Syd; Pierson, Theodore C.; Diamond, Michael S.; Fremont, Daved H.

2012-01-01

We previously developed a panel of neutralizing monoclonal antibodies against Dengue virus (DENV)-1, of which few exhibited inhibitory activity against all DENV-1 genotypes. This finding is consistent with reports observing variable neutralization of different DENV strains and genotypes using serum from individuals that experienced natural infection or immunization. Herein, we describe the crystal structures of DENV1-E111 bound to a novel CC′ loop epitope on domain III (DIII) of the E protein from two different DENV-1 genotypes. Docking of our structure onto the available cryo-electron microscopy models of DENV virions revealed that the DENV1-E111 epitope was inaccessible, suggesting that this antibody recognizes an uncharacterized virus conformation. While the affinity of binding between DENV1-E111 and DIII varied by genotype, we observed limited correlation with inhibitory activity. Instead, our results support the conclusion that potent neutralization depends on genotype-dependent exposure of the CC′ loop epitope. These findings establish new structural complexity of the DENV virion, which may be relevant for the choice of DENV strain for induction or analysis of neutralizing antibodies in the context of vaccine development. PMID:23055922

Molecular structure of Mg-Al, Mn-Al and Zn-Al halotrichites-type double sulfates--an infrared spectroscopic study.

PubMed

Palmer, Sara J; Frost, Ray L

2011-05-01

Near infrared (NIR), X-ray diffraction (XRD) and infrared (IR) spectroscopy have been applied to halotrichites of the formula MgAl(2)(SO(4))(4)·22H(2)O, MnAl(2)(SO(4))(4)·22H(2)O and ZnAl(2)(SO(4))(4)·22H(2)O. Comparison of the halotrichites in different spectral regions has shown that the incorporation of a divalent transition metal into the halotrichite structure causes a shift in OH stretching band positions to lower wavenumbers. Therefore, an increase of the hydrogen bond strength of the bonded water is observed for divalent cations with a larger molecular mass. XRD has confirmed the formation of halotrichite for all three samples and characteristic peaks of halotrichite have been identified for each halotrichite-type compound. It has been observed that Mg-Al and Mn-Al halotrichite are very similar in structure, while Zn-Al showed several differences particularly in the NIR spectra. This work has shown that compounds with halotrichite structures can be synthesised and characterised by infrared and NIR spectroscopy. Copyright © 2011 Elsevier B.V. All rights reserved.

Trans-Pacific tele-ultrasound image transmission of fetal central nervous system structures.

PubMed

Ferreira, Adilson Cunha; Araujo Júnior, Edward; Martins, Wellington P; Jordão, João Francisco; Oliani, Antônio Hélio; Meagher, Simon E; Da Silva Costa, Fabricio

2015-01-01

To assess the quality of images and video clips of fetal central nervous (CNS) structures obtained by ultrasound and transmitted via tele-ultrasound from Brazil to Australia. In this cross-sectional study, 15 normal singleton pregnant women between 20 and 26 weeks were selected. Fetal CNS structures were obtained by images and video clips. The exams were transmitted in real-time using a broadband internet and an inexpensive video streaming device. Four blinded examiners evaluated the quality of the exams using the Likert scale. We calculated the mean, standard deviation, mean difference, and p values were obtained from paired t tests. The quality of the original video clips was slightly better than that observed by the transmitted video clips; mean difference considering all observers = 0.23 points. In 47/60 comparisons (78.3%; 95% CI = 66.4-86.9%) the quality of the video clips were judged to be the same. In 182/240 still images (75.8%; 95% CI = 70.0-80.8%) the scores of transmitted image were considered the same as the original. We demonstrated that long distance tele-ultrasound transmission of fetal CNS structures using an inexpensive video streaming device provided images of subjective good quality.

The oxygenating constituent of 3,6-diketocamphane monooxygenase from the CAM plasmid of Pseudomonas putida: the first crystal structure of a type II Baeyer–Villiger monooxygenase

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

Isupov, Michail N.; Schröder, Ewald; Gibson, Robert P.

The first crystal structure of a type II Baeyer–Villiger monooxygenase reveals a different ring orientation of its FMN cofactor compared with other related bacterial luciferase-family enzymes. The three-dimensional structures of the native enzyme and the FMN complex of the overexpressed form of the oxygenating component of the type II Baeyer–Villiger 3,6-diketocamphane monooxygenase have been determined to 1.9 Å resolution. The structure of this dimeric FMN-dependent enzyme, which is encoded on the large CAM plasmid of Pseudomonas putida, has been solved by a combination of multiple anomalous dispersion from a bromine crystal soak and molecular replacement using a bacterial luciferase model.more » The orientation of the isoalloxazine ring of the FMN cofactor in the active site of this TIM-barrel fold enzyme differs significantly from that previously observed in enzymes of the bacterial luciferase-like superfamily. The Ala77 residue is in a cis conformation and forms a β-bulge at the C-terminus of β-strand 3, which is a feature observed in many proteins of this superfamily.« less

Effect of thermal pretreatment on chemical composition, physical structure and biogas production kinetics of wheat straw.

PubMed

Rajput, Asad Ayub; Zeshan; Visvanathan, Chettiyappan

2018-05-21

Hard lignocellulosic structure of wheat straw is the main hindrance in its anaerobic digestion. Thus, a laboratory scale batch experiment was conducted to study the effect of thermal pretreatment on anaerobic digestion of wheat straw. For this purpose, different thermal pretreatment temperatures of 120, 140, 160 and 180 °C were studied and the results were compared with raw wheat straw. Significant differences in biogas production were observed at temperature higher than 160 °C. Highest biogas yield of 615 Nml/gVS and volatile solids reduction of 69% was observed from wheat straw pretreated at 180 °C. Wheat straw pretreated at 180 °C showed 53% higher biogas yield as compared to untreated. Further, FTIR analysis revealed change in chemical bonds of lignocellulosic structure of wheat straw. Modified Gompertz model was best fitted on biogas production data and predicted shorter lag phase time and higher biogas production as the pretreatment temperature increased. Overall, change in lignocellulosic structure and increase in cellulose content were the main reason in enhancing biogas production. Copyright © 2018 Elsevier Ltd. All rights reserved.