Differentiation between benign and malignant palatal tumors using conventional MRI: a retrospective analysis of 130 cases.

PubMed

Zheng, Yingyan; Xiao, Zebin; Zhang, Hua; She, Dejun; Lin, Xuehua; Lin, Yu; Cao, Dairong

2018-04-01

To evaluate the discriminative value of conventional magnetic resonance imaging between benign and malignant palatal tumors. Conventional magnetic resonance imaging features of 130 patients with palatal tumors confirmed by histopathologic examination were retrospectively reviewed. Clinical data and imaging findings were assessed between benign and malignant tumors and between benign and low-grade malignant salivary gland tumors. The variables that were significant in differentiating benign from malignant lesions were further identified using logistic regression analysis. Moreover, imaging features of each common palatal histologic entity were statistically analyzed with the rest of the tumors to define their typical imaging features. Older age, partially defined and ill-defined margins, and absence of a capsule were highly suggestive of malignant palatal tumors, especially ill-defined margins (β = 6.400). The precision in determining malignant palatal tumors achieved a sensitivity of 92.8% and a specificity of 85.6%. In addition, irregular shape, ill-defined margins, lack of a capsule, perineural spread, and invasion of surrounding structures were more often associated with low-grade malignant salivary gland tumors. Conventional magnetic resonance imaging is useful for differentiating benign from malignant palatal tumors as well as benign salivary gland tumors from low-grade salivary gland malignancies. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.

Clouds on Neptune: Motions, Evolution, and Structure

NASA Technical Reports Server (NTRS)

Sromovsky, Larry A.; Morgan, Thomas (Technical Monitor)

2001-01-01

The aims of our original proposal were these: (1) improving measurements of Neptune's circulation, (2) understanding the spatial distribution of cloud features, (3) discovery of new cloud features and understanding their evolutionary process, (4) understanding the vertical structure of zonal cloud patterns, (5) defining the structure of discrete cloud features, and (6) defining the near IR albedo and light curve of Triton. Towards these aims we proposed analysis of existing 1996 groundbased NSFCAM/IRTF observations and nearly simultaneous WFPC2 observations from the Hubble Space Telescope. We also proposed to acquire new observations from both HST and the IRTF.

Stimulus Dependency of Object-Evoked Responses in Human Visual Cortex: An Inverse Problem for Category Specificity

PubMed Central

Graewe, Britta; De Weerd, Peter; Farivar, Reza; Castelo-Branco, Miguel

2012-01-01

Many studies have linked the processing of different object categories to specific event-related potentials (ERPs) such as the face-specific N170. Despite reports showing that object-related ERPs are influenced by visual stimulus features, there is consensus that these components primarily reflect categorical aspects of the stimuli. Here, we re-investigated this idea by systematically measuring the effects of visual feature manipulations on ERP responses elicited by both structure-from-motion (SFM)-defined and luminance-defined object stimuli. SFM objects elicited a novel component at 200–250 ms (N250) over parietal and posterior temporal sites. We found, however, that the N250 amplitude was unaffected by restructuring SFM stimuli into meaningless objects based on identical visual cues. This suggests that this N250 peak was not uniquely linked to categorical aspects of the objects, but is strongly determined by visual stimulus features. We provide strong support for this hypothesis by parametrically manipulating the depth range of both SFM- and luminance-defined object stimuli and showing that the N250 evoked by SFM stimuli as well as the well-known N170 to static faces were sensitive to this manipulation. Importantly, this effect could not be attributed to compromised object categorization in low depth stimuli, confirming a strong impact of visual stimulus features on object-related ERP signals. As ERP components linked with visual categorical object perception are likely determined by multiple stimulus features, this creates an interesting inverse problem when deriving specific perceptual processes from variations in ERP components. PMID:22363479

Stimulus dependency of object-evoked responses in human visual cortex: an inverse problem for category specificity.

PubMed

Graewe, Britta; De Weerd, Peter; Farivar, Reza; Castelo-Branco, Miguel

2012-01-01

Many studies have linked the processing of different object categories to specific event-related potentials (ERPs) such as the face-specific N170. Despite reports showing that object-related ERPs are influenced by visual stimulus features, there is consensus that these components primarily reflect categorical aspects of the stimuli. Here, we re-investigated this idea by systematically measuring the effects of visual feature manipulations on ERP responses elicited by both structure-from-motion (SFM)-defined and luminance-defined object stimuli. SFM objects elicited a novel component at 200-250 ms (N250) over parietal and posterior temporal sites. We found, however, that the N250 amplitude was unaffected by restructuring SFM stimuli into meaningless objects based on identical visual cues. This suggests that this N250 peak was not uniquely linked to categorical aspects of the objects, but is strongly determined by visual stimulus features. We provide strong support for this hypothesis by parametrically manipulating the depth range of both SFM- and luminance-defined object stimuli and showing that the N250 evoked by SFM stimuli as well as the well-known N170 to static faces were sensitive to this manipulation. Importantly, this effect could not be attributed to compromised object categorization in low depth stimuli, confirming a strong impact of visual stimulus features on object-related ERP signals. As ERP components linked with visual categorical object perception are likely determined by multiple stimulus features, this creates an interesting inverse problem when deriving specific perceptual processes from variations in ERP components.

Recent advances in the biomimicry of structural colours.

PubMed

Dumanli, Ahu Gümrah; Savin, Thierry

2016-12-21

Nature has mastered the construction of nanostructures with well-defined macroscopic effects and purposes. Structural colouration is a visible consequence of the particular patterning of a reflecting surface with regular structures at submicron length scales. Structural colours usually appear bright, shiny, iridescent or with a metallic look, as a result of physical processes such as diffraction, interference, or scattering with a typically small dissipative loss. These features have recently attracted much research effort in materials science, chemistry, engineering and physics, in order to understand and produce structural colours. In these early stages of photonics, researchers facing an infinite array of possible colour-producing structures are heavily inspired by the elaborate architectures they find in nature. We review here the recent technological strategies employed to artificially mimic the structural colours found in nature, as well as some of their current and potential applications.

The solution structure of omega-Aga-IVB, a P-type calcium channel antagonist from venom of the funnel web spider, Agelenopsis aperta.

PubMed

Reily, M D; Thanabal, V; Adams, M E

1995-02-01

The 48 amino acid peptides omega-Aga-IVA and omega-Aga-IVB are the first agents known to specifically block P-type calcium channels in mammalian brain, thus complementing the existing suite of pharmacological tools used for characterizing calcium channels. These peptides provide a new set of probes for studies aimed at elucidating the structural basis underlying the subtype specificity of calcium channel antagonists. We used 288 NMR-derived constraints in a protocol combining distance geometry and molecular dynamics employing the program DGII, followed by energy minimization with Discover to derive the three-dimensional structure of omega-Aga-IVB. The toxin consists of a well-defined core region, comprising seven solvent-shielded residues and a well-defined triple-stranded beta-sheet. Four loop regions have average backbone rms deviations between 0.38 and 1.31 A, two of which are well-defined type-II beta-turns. Other structural features include disordered C- and N-termini and several conserved basic amino acids that are clustered on one face of the molecule. The reported structure suggests a possible surface for interaction with the channel. This surface contains amino acids that are identical to those of another known P-type calcium channel antagonist, omega-Aga-IVA, and is rich in basic residues that may have a role in binding to the anionic sites in the extracellular regions of the calcium channel.

Character-Defining Features of Contributing Buildings and Structures in the Fort Gordon, Georgia, Signal School Campus Historic District

DTIC Science & Technology

2016-07-01

conditioning CRM Cultural Resources Manager DPW Directorate of Public Works ERDC- CERL Engineer Research and Development Center – Construction Engineering...the interior character-defining features are unknown, but for undertakings that effect the interior the Cultural Resources Man- ager ( CRM ) should use...to the interior; the interior character-defining features are unknown but for undertakings that effect the interior, the CRM should use examples from

Accurate predictions of population-level changes in sequence and structural properties of HIV-1 Env using a volatility-controlled diffusion model

PubMed Central

DeLeon, Orlando; Hodis, Hagit; O’Malley, Yunxia; Johnson, Jacklyn; Salimi, Hamid; Zhai, Yinjie; Winter, Elizabeth; Remec, Claire; Eichelberger, Noah; Van Cleave, Brandon; Puliadi, Ramya; Harrington, Robert D.; Stapleton, Jack T.; Haim, Hillel

2017-01-01

The envelope glycoproteins (Envs) of HIV-1 continuously evolve in the host by random mutations and recombination events. The resulting diversity of Env variants circulating in the population and their continuing diversification process limit the efficacy of AIDS vaccines. We examined the historic changes in Env sequence and structural features (measured by integrity of epitopes on the Env trimer) in a geographically defined population in the United States. As expected, many Env features were relatively conserved during the 1980s. From this state, some features diversified whereas others remained conserved across the years. We sought to identify “clues” to predict the observed historic diversification patterns. Comparison of viruses that cocirculate in patients at any given time revealed that each feature of Env (sequence or structural) exists at a defined level of variance. The in-host variance of each feature is highly conserved among individuals but can vary between different HIV-1 clades. We designate this property “volatility” and apply it to model evolution of features as a linear diffusion process that progresses with increasing genetic distance. Volatilities of different features are highly correlated with their divergence in longitudinally monitored patients. Volatilities of features also correlate highly with their population-level diversification. Using volatility indices measured from a small number of patient samples, we accurately predict the population diversity that developed for each feature over the course of 30 years. Amino acid variants that evolved at key antigenic sites are also predicted well. Therefore, small “fluctuations” in feature values measured in isolated patient samples accurately describe their potential for population-level diversification. These tools will likely contribute to the design of population-targeted AIDS vaccines by effectively capturing the diversity of currently circulating strains and addressing properties of variants expected to appear in the future. PMID:28384158

Digital microfabrication of user-defined 3D microstructures in cell-laden hydrogels.

PubMed

Soman, Pranav; Chung, Peter H; Zhang, A Ping; Chen, Shaochen

2013-11-01

Complex 3D interfacial arrangements of cells are found in several in vivo biosystems such as blood vasculature, renal glomeruli, and intestinal villi. Current tissue engineering techniques fail to develop suitable 3D microenvironments to evaluate the concurrent effects of complex topography and cell encapsulation. There is a need to develop new fabrication approaches that control cell density and distribution within complex 3D features. In this work, we present a dynamic projection printing process that allows rapid construction of complex 3D structures using custom-defined computer-aided-design (CAD) files. Gelatin-methacrylate (GelMA) constructs featuring user-defined spiral, pyramid, flower, and dome micro-geometries were fabricated with and without encapsulated cells. Encapsulated cells demonstrate good cell viability across all geometries both on the scaffold surface and internal to the structures. Cells respond to geometric cues individually as well as collectively throughout the larger-scale patterns. Time-lapse observations also reveal the dynamic nature of mechanical interactions between cells and micro-geometry. When compared to conventional cell-seeding, cell encapsulation within complex 3D patterned scaffolds provides long-term control over proliferation, cell morphology, and geometric guidance. Overall, this biofabrication technique offers a flexible platform to evaluate cell interactions with complex 3D micro-features, with the ability to scale-up towards high-throughput screening platforms. © 2013 Wiley Periodicals, Inc.

UbSRD: The Ubiquitin Structural Relational Database.

PubMed

Harrison, Joseph S; Jacobs, Tim M; Houlihan, Kevin; Van Doorslaer, Koenraad; Kuhlman, Brian

2016-02-22

The structurally defined ubiquitin-like homology fold (UBL) can engage in several unique protein-protein interactions and many of these complexes have been characterized with high-resolution techniques. Using Rosetta's structural classification tools, we have created the Ubiquitin Structural Relational Database (UbSRD), an SQL database of features for all 509 UBL-containing structures in the PDB, allowing users to browse these structures by protein-protein interaction and providing a platform for quantitative analysis of structural features. We used UbSRD to define the recognition features of ubiquitin (UBQ) and SUMO observed in the PDB and the orientation of the UBQ tail while interacting with certain types of proteins. While some of the interaction surfaces on UBQ and SUMO overlap, each molecule has distinct features that aid in molecular discrimination. Additionally, we find that the UBQ tail is malleable and can adopt a variety of conformations upon binding. UbSRD is accessible as an online resource at rosettadesign.med.unc.edu/ubsrd. Copyright © 2015 Elsevier Ltd. All rights reserved.

Saqqar: A 34 km diameter impact structure in Saudi Arabia

NASA Astrophysics Data System (ADS)

Kenkmann, Thomas; Afifi, Abdulkader M.; Stewart, Simon A.; Poelchau, Michael H.; Cook, Douglas J.; Neville, Allen S.

2015-11-01

Here we present the first proof of an impact origin for the Saqqar circular structure in northwestern Saudi Arabia (Neville et al. ), with an apparent diameter of 34 km, centered at 29°35'N, 38°42'E. The structure is formed in Cambrian-Devonian siliciclastics and is unconformably overlain by undeformed Cretaceous and Paleogene sediments. The age of impact is not well constrained and lies somewhere between 410 and 70 Ma. The subsurface structure is constrained by 2-D reflection seismic profiles and six drilled wells. First-order structural features are a central uplift that rises approximately 2 km above regional datums, surrounded by a ring syncline. The crater rim is defined by circumferential normal faults. The central uplift and ring syncline correspond to a Bouguer gravity high and an annular ring-like low, respectively. The wells were drilled within the central uplift, the deepest among them exceed 2 km depth. Sandstone core samples from these wells show abundant indicators of a shock metamorphic overprint. Planar deformation features (PDFs) were measured with orientations along (0001), {101¯3}, and less frequently along {101¯1} and {101¯4}. Planar fractures (PFs) predominantly occur along (0001) and {101¯1}, and are locally associated with feather features (FFs). In addition, some shocked feldspar grains and strongly deformed mica flakes were found. The recorded shock pressure ranges between 5 and 15 GPa. The preserved level of shock and the absence of an allochthonous crater fill suggest that Saqqar was eroded by 1-2 km between the Devonian and Maastrichtian. The documentation of unequivocal shock features proves the formation of the Saqqar structure by a hypervelocity impact event.

Gstruct: a system for extracting schemas from GML documents

NASA Astrophysics Data System (ADS)

Chen, Hui; Zhu, Fubao; Guan, Jihong; Zhou, Shuigeng

2008-10-01

Geography Markup Language (GML) becomes the de facto standard for geographic information representation on the internet. GML schema provides a way to define the structure, content, and semantic of GML documents. It contains useful structural information of GML documents and plays an important role in storing, querying and analyzing GML data. However, GML schema is not mandatory, and it is common that a GML document contains no schema. In this paper, we present Gstruct, a tool for GML schema extraction. Gstruct finds the features in the input GML documents, identifies geometry datatypes as well as simple datatypes, then integrates all these features and eliminates improper components to output the optimal schema. Experiments demonstrate that Gstruct is effective in extracting semantically meaningful schemas from GML documents.

Making structures for cell engineering.

PubMed

Wilkinson, C D W

2004-10-22

This is a mainly historical account of the events, methods and artifacts arising from my collaboration with Adam Curtis over the past twenty years to make exercise grounds for biological cells. Initially the structures were made in fused silica by photo-lithography and dry etching. The need to make micron-sized features in biodegradable polymers, led to the development of embossing techniques. Some cells response to grooves only a few tens of nanometers deep--this led to a desire to find the response of cells to features of nanometric size overall. Regular arrays of such features were made using electron beam lithography for definition of the pattern. Improvements were made in the lithographic techniques to allow arrays to be defined over areas bigger than 1 cm2. Structures with microelectrodes arranged inside guiding grooves to allow the formation of sparse predetermined networks of neurons were made. It is concluded that the creation of pattern, as in vivo, in assemblies of regrown cells in scaffolds may well be necessary in advanced cell engineering applications.

Secondary structure of the 3'-noncoding region of flavivirus genomes: comparative analysis of base pairing probabilities.

PubMed

Rauscher, S; Flamm, C; Mandl, C W; Heinz, F X; Stadler, P F

1997-07-01

The prediction of the complete matrix of base pairing probabilities was applied to the 3' noncoding region (NCR) of flavivirus genomes. This approach identifies not only well-defined secondary structure elements, but also regions of high structural flexibility. Flaviviruses, many of which are important human pathogens, have a common genomic organization, but exhibit a significant degree of RNA sequence diversity in the functionally important 3'-NCR. We demonstrate the presence of secondary structures shared by all flaviviruses, as well as structural features that are characteristic for groups of viruses within the genus reflecting the established classification scheme. The significance of most of the predicted structures is corroborated by compensatory mutations. The availability of infectious clones for several flaviviruses will allow the assessment of these structural elements in processes of the viral life cycle, such as replication and assembly.

Phylogenetic continuum indicates "galaxies" in the protein universe: preliminary results on the natural group structures of proteins.

PubMed

Ladunga, I

1992-04-01

The markedly nonuniform, even systematic distribution of sequences in the protein "universe" has been analyzed by methods of protein taxonomy. Mapping of the natural hierarchical system of proteins has revealed some dense cores, i.e., well-defined clusterings of proteins that seem to be natural structural groupings, possibly seeds for a future protein taxonomy. The aim was not to force proteins into more or less man-made categories by discriminant analysis, but to find structurally similar groups, possibly of common evolutionary origin. Single-valued distance measures between pairs of superfamilies from the Protein Identification Resource were defined by two chi 2-like methods on tripeptide frequencies and the variable-length subsequence identity method derived from dot-matrix comparisons. Distance matrices were processed by several methods of cluster analysis to detect phylogenetic continuum between highly divergent proteins. Only well-defined clusters characterized by relatively unique structural, intracellular environmental, organismal, and functional attribute states were selected as major protein groups, including subsets of viral and Escherichia coli proteins, hormones, inhibitors, plant, ribosomal, serum and structural proteins, amino acid synthases, and clusters dominated by certain oxidoreductases and apolar and DNA-associated enzymes. The limited repertoire of functional patterns due to small genome size, the high rate of recombination, specific features of the bacterial membranes, or of the virus cycle canalize certain proteins of viruses and Gram-negative bacteria, respectively, to organismal groups.

Structural optimization under overhang constraints imposed by additive manufacturing technologies

NASA Astrophysics Data System (ADS)

Allaire, G.; Dapogny, C.; Estevez, R.; Faure, A.; Michailidis, G.

2017-12-01

This article addresses one of the major constraints imposed by additive manufacturing processes on shape optimization problems - that of overhangs, i.e. large regions hanging over void without sufficient support from the lower structure. After revisiting the 'classical' geometric criteria used in the literature, based on the angle between the structural boundary and the build direction, we propose a new mechanical constraint functional, which mimics the layer by layer construction process featured by additive manufacturing technologies, and thereby appeals to the physical origin of the difficulties caused by overhangs. This constraint, as well as some variants, is precisely defined; their shape derivatives are computed in the sense of Hadamard's method, and numerical strategies are extensively discussed, in two and three space dimensions, to efficiently deal with the appearance of overhang features in the course of shape optimization processes.

Combining living anionic polymerization with branching reactions in an iterative fashion to design branched polymers.

PubMed

Higashihara, Tomoya; Sugiyama, Kenji; Yoo, Hee-Soo; Hayashi, Mayumi; Hirao, Akira

2010-06-16

This paper reviews the precise synthesis of many-armed and multi-compositional star-branched polymers, exact graft (co)polymers, and structurally well-defined dendrimer-like star-branched polymers, which are synthetically difficult, by a commonly-featured iterative methodology combining living anionic polymerization with branched reactions to design branched polymers. The methodology basically involves only two synthetic steps; (a) preparation of a polymeric building block corresponding to each branched polymer and (b) connection of the resulting building unit to another unit. The synthetic steps were repeated in a stepwise fashion several times to successively synthesize a series of well-defined target branched polymers. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Observations of the structure and evolution of solar flares with a soft X-ray telescope

NASA Technical Reports Server (NTRS)

Vorpahl, J. A.; Gibson, E. G.; Landecker, P. B.; Mckenzie, D. L.; Underwood, J. M.

1975-01-01

Soft X ray flare events were observed with the S-056 X-ray telescope that was part of the ATM complement of instruments aboard SKYLAB. Analyses of these data are reported. The observations are summarized and a detailed discussion of the X-ray flare structures is presented. The data indicated that soft X-ray emitted by a flare come primarily from an intense well-defined core surrounded by a region of fainter, more diffuse emission. An analysis of flare evolution indicates evidence for preliminary heating and energy release prior to the main phase of the flare. Core features are found to be remarkably stable and retain their shape throughout a flare. Most changes in the overall configuration seem to be result of the appearance, disappearance or change in brightness of individual features, rather than the restructuring or reorientation of these features. Brief comparisons with several theories are presented.

An empirical assessment of which inland floods can be managed.

PubMed

Mogollón, Beatriz; Frimpong, Emmanuel A; Hoegh, Andrew B; Angermeier, Paul L

2016-02-01

Riverine flooding is a significant global issue. Although it is well documented that the influence of landscape structure on floods decreases as flood size increases, studies that define a threshold flood-return period, above which landscape features such as topography, land cover and impoundments can curtail floods, are lacking. Further, the relative influences of natural versus built features on floods is poorly understood. Assumptions about the types of floods that can be managed have considerable implications for the cost-effectiveness of decisions to invest in transforming land cover (e.g., reforestation) and in constructing structures (e.g., storm-water ponds) to control floods. This study defines parameters of floods for which changes in landscape structure can have an impact. We compare nine flood-return periods across 31 watersheds with widely varying topography and land cover in the southeastern United States, using long-term hydrologic records (≥20 years). We also assess the effects of built flow-regulating features (best management practices and artificial water bodies) on selected flood metrics across urban watersheds. We show that landscape features affect magnitude and duration of only those floods with return periods ≤10 years, which suggests that larger floods cannot be managed effectively by manipulating landscape structure. Overall, urban watersheds exhibited larger (270 m(3)/s) but quicker (0.41 days) floods than non-urban watersheds (50 m(3)/s and 1.5 days). However, urban watersheds with more flow-regulating features had lower flood magnitudes (154 m(3)/s), but similar flood durations (0.55 days), compared to urban watersheds with fewer flow-regulating features (360 m(3)/s and 0.23 days). Our analysis provides insight into the magnitude, duration and count of floods that can be curtailed by landscape structure and its management. Our findings are relevant to other areas with similar climate, topography, and land use, and can help ensure that investments in flood management are made wisely after considering the limitations of landscape features to regulate floods. Copyright © 2015 Elsevier Ltd. All rights reserved.

D’Andrea’s disease (angiomegaly): a currently well-defined nosological entitys.

PubMed

Taurone, S; Spoletini, M; Di Matteo, F M; Mele, R; Tromba, L; Grippaudo, F R; Minni, A; Artico, M

2017-01-01

In 1997 D’Andrea et al. described a new nosological entity the characteristics of which consisted of lengthening, dilation and tortuosity of blood vessels, arteries or veins, less prominent, but also less circumscribed than an aneurysm. This condition does not necessarily imply specific aneurysm formation although aneurysms at multiple sites are a frequent observation. The term used by authors for angiomegaly of the venous system was venomegaly and the analogous condition of the arterial system was termed arteriomegaly. Although tortuosity and dilation of arteries and veins have been widely reported, suggesting a systemic disorder which affects the structural integrity of all vessels, most papers dealing with this intriguing condition did not describe any alterations in the components of vessel walls. In the present paper, the authors describe a well-defined condition, D’Andrea’s Disease (or DD, in this article), analyzing its salient morphological and clinical features and clarifying this pathological condition as a distinct and now well-defined nosological entity.

Structure-related frustrated magnetism of nanosized polyoxometalates: aesthetics and properties in harmony.

PubMed

Kögerler, Paul; Tsukerblat, Boris; Müller, Achim

2010-01-07

The structural versatility characterizing polyoxometalate chemistry, in combination with the option to deliberately use well-defined building blocks, serves as the foundation for the generation of a large family of magnetic clusters, frequently comprising highly symmetric spin arrays. If the spin centers are coupled by antiferromagnetic exchange, some of these systems exhibit spin frustration, which can result in novel magnetic properties of purely molecular origins. We discuss here the magnetic properties of selected nanosized polyoxometalate clusters featuring spin triangles as their magnetic 'building blocks' or fragments. This includes unique porous Keplerate clusters of the type {(Mo)Mo(5)}(12)M(30) (M = Fe(III), Cr(III), V(IV)) with the spin centers defining a regular icosidodecahedron and the {V(15)As(6)}-type cluster sphere containing a single equilateral spin triangle; these species are widely discussed and studied in the literature for their role in materials science as molecular representations of Kagomé lattices and in relation to quantum computing, respectively. Exhibiting fascinating and unique structural features, these magnetic molecules allow the study of the implications of frustrated spin ordering. Furthermore, this perspective covers the impact of spin frustration on the degeneracy of the ground state and related problems, namely strong magnetic anisotropy and the interplay of antisymmetric exchange and structural Jahn-Teller effects.

Characterization of the Cretaceous aquifer structure of the Meskala region of the Essaouira Basin, Morocco

USGS Publications Warehouse

Hanich, L.; Zouhri, L.; Dinger, J.

2011-01-01

The aquifer of early Cretaceous age in the Meskala region of the Essaouira Basin is defined by interpretation of geological drilling data of oil and hydrogeological wells, field measurement and analysis of in situ fracture orientations, and the application of a morphostructural method to identify lineaments. These analyzes are used to develop a stratigraphic-structural model of the aquifer delimited by fault zones of two principal orientations: NNE and WNW. These fault zones define fault blocks that range in area from 4 to 150km2. These blocks correspond either to elevated zones (horsts) or depressed zones (grabens). This structural setting with faults blocks of Meskala region is in accordance with the structure of the whole Essaouira Basin. Fault zones disrupt the continuity of the aquifer throughout the study area, create recharge and discharge zones, and create dip to the units from approximately 10?? to near vertical in various orientations. Fracture measurements and morphometric-lineament analyzes help to identify unmapped faults, and represent features important to groundwater hydraulics and water quality within fault blocks. The above geologic features will enable a better understanding of the behaviour and hydro-geo-chemical and hydrodynamics of groundwater in the Meskala aquifer. ?? 2010 Elsevier Ltd.

Implementing quantum Ricci curvature

NASA Astrophysics Data System (ADS)

Klitgaard, N.; Loll, R.

2018-05-01

Quantum Ricci curvature has been introduced recently as a new, geometric observable characterizing the curvature properties of metric spaces, without the need for a smooth structure. Besides coordinate invariance, its key features are scalability, computability, and robustness. We demonstrate that these properties continue to hold in the context of nonperturbative quantum gravity, by evaluating the quantum Ricci curvature numerically in two-dimensional Euclidean quantum gravity, defined in terms of dynamical triangulations. Despite the well-known, highly nonclassical properties of the underlying quantum geometry, its Ricci curvature can be matched well to that of a five-dimensional round sphere.

Feature-based and statistical methods for analyzing the Deepwater Horizon oil spill with AVIRIS imagery

USGS Publications Warehouse

Rand, R.S.; Clark, R.N.; Livo, K.E.

2011-01-01

The Deepwater Horizon oil spill covered a very large geographical area in the Gulf of Mexico creating potentially serious environmental impacts on both marine life and the coastal shorelines. Knowing the oil's areal extent and thickness as well as denoting different categories of the oil's physical state is important for assessing these impacts. High spectral resolution data in hyperspectral imagery (HSI) sensors such as Airborne Visible and Infrared Imaging Spectrometer (AVIRIS) provide a valuable source of information that can be used for analysis by semi-automatic methods for tracking an oil spill's areal extent, oil thickness, and oil categories. However, the spectral behavior of oil in water is inherently a highly non-linear and variable phenomenon that changes depending on oil thickness and oil/water ratios. For certain oil thicknesses there are well-defined absorption features, whereas for very thin films sometimes there are almost no observable features. Feature-based imaging spectroscopy methods are particularly effective at classifying materials that exhibit specific well-defined spectral absorption features. Statistical methods are effective at classifying materials with spectra that exhibit a considerable amount of variability and that do not necessarily exhibit well-defined spectral absorption features. This study investigates feature-based and statistical methods for analyzing oil spills using hyperspectral imagery. The appropriate use of each approach is investigated and a combined feature-based and statistical method is proposed.

Spin-orbit excitations and electronic structure of the putative Kitaev magnet α -RuCl3

NASA Astrophysics Data System (ADS)

Sandilands, Luke J.; Tian, Yao; Reijnders, Anjan A.; Kim, Heung-Sik; Plumb, K. W.; Kim, Young-June; Kee, Hae-Young; Burch, Kenneth S.

2016-02-01

Mott insulators with strong spin-orbit coupling have been proposed to host unconventional magnetic states, including the Kitaev quantum spin liquid. The 4 d system α -RuCl3 has recently come into view as a candidate Kitaev system, with evidence for unusual spin excitations in magnetic scattering experiments. We apply a combination of optical spectroscopy and Raman scattering to study the electronic structure of this material. Our measurements reveal a series of orbital excitations involving localized total angular momentum states of the Ru ion, implying that strong spin-orbit coupling and electron-electron interactions coexist in this material. Analysis of these features allows us to estimate the spin-orbit coupling strength, as well as other parameters describing the local electronic structure, revealing a well-defined hierarchy of energy scales within the Ru d states. By comparing our experimental results with density functional theory calculations, we also clarify the overall features of the optical response. Our results demonstrate that α -RuCl3 is an ideal material system to study spin-orbit coupled magnetism on the honeycomb lattice.

Antibacterial peptides from plants: what they are and how they probably work.

PubMed

Barbosa Pelegrini, Patrícia; Del Sarto, Rafael Perseghini; Silva, Osmar Nascimento; Franco, Octávio Luiz; Grossi-de-Sa, Maria Fátima

2011-01-01

Plant antibacterial peptides have been isolated from a wide variety of species. They consist of several protein groups with different features, such as the overall charge of the molecule, the content of disulphide bonds, and structural stability under environmental stress. Although the three-dimensional structures of several classes of plant peptides are well determined, the mechanism of action of some of these molecules is still not well defined. However, further studies may provide new evidences for their function on bacterial cell wall. Therefore, this paper focuses on plant peptides that show activity against plant-pathogenic and human-pathogenic bacteria. Furthermore, we describe the folding of several peptides and similarities among their three-dimensional structures. Some hypotheses for their mechanisms of action and attack on the bacterial membrane surface are also proposed.

Map showing the association of linear features with metallic mines and prospects in the Butte 1 degree by 2 degrees Quadrangle, Montana

USGS Publications Warehouse

Rowan, L.C.; Trautwein, C.M.; Purdy, T.L.

1990-01-01

This study was undertaken as part of the Conterminous U.S. Mineral Assessment Program (CUSMAP). The purpose of the study was to map linear features on Landsat Multispectral Scanner (MSS) images and a proprietary side-looking airborne radar (SLAR) image mosaic and to determine the spatial relationship between these linear features and the locations of metallic mineral occurrE-nces. The results show a close spatial association of linear features with metallic mineral occurrences in parts of the quadrangle, but in other areas the association is less well defined. Linear features are defined as distinct linear and slightly curvilinear elements mappable on MSS and SLAR images. The features generally represent linear segments of streams, ridges, and terminations of topographic features; however, they may also represent tonal patterns that are related to variations in lithology and vegetation. Most linear features in the Butte quadrangle probably represent underlying structural elements, such as fractures (with and without displacement), dikes, and alignment of fold axes. However, in areas underlain by sedimentary rocks, some of the linear features may reflect bedding traces. This report describes the geologic setting of the Butte quadrangle, the procedures used in mapping and analyzing the linear features, and the results of the study. Relationship of these features to placer and non-metal deposits were not analyzed in this study and are not discussed in this report.

Reduced to pole long-wavelength magnetic anomalies of Africa and Europe

NASA Technical Reports Server (NTRS)

Olivier, R.; Hinze, W. J.; Vonfrese, R. R. B.

1985-01-01

To facilitate analysis of the tectonic framework for Africa, Europe and adjacent marine areas, MAGSAT scalar anomaly data are differentially reduced to the pole and compared to regional geologic information and geophysical data including surface free-air gravity anomaly data upward continued to satellite elevation (350 km) on a spherical Earth. Comparative analysis shows magnetic anomalies correspond with both ancient as well as more recent Cenozoic structural features. Anomalies associated with ancient structures are primarily caused by intra-crustal lithologic variations such as the crustal disturbance associated with the Bangui anomaly in west-central Africa. Anomalies correlative with Cenozoic tectonic elements appear to be related to Curie isotherm perturbations. A possible example of the latter is the well-defined trend of magnetic minima that characterize the Alphine orogenic belt from the Atlas mountains to Eurasia. In contrast, a well-defined magnetic satellite minimum extends across the stable craton from Finland to the Ural mountains. Prominent magnetic maxima characterize the Arabian plate, Iceland, the Kursk region of the central Russian uplift, and generally the Precambrian shields of Africa.

Reduced to Pole Long-wavelength Magnetic Anomalies of Africa and Europe

NASA Technical Reports Server (NTRS)

Hinze, W. J.; Vonfrese, R. R. B. (Principal Investigator); Olivier, R.

1984-01-01

To facilitate analysis of the tectonic framework for Africa, Europe and adjacent marine areas, MAGSAT scalar anomaly data are differentially reduced to the pole and compared to regional geologic information and geophysical data including surface free-air gravity anomaly data upward continued to satellite elevation (350 km) on a spherical Earth. Comparative analysis shows magnetic anomalies correspond with both ancient as well as more recent Cenozoic structural features. Anomalies associated with ancient structures are primarily caused by intra-crustal lithologic variations such as the crustal disturbance associated with the Bangui anomaly in west-central Africa. Anomalies correlative with Cenozoic tectonic elements appear to be related to Curie isotherm perturbations. A possible example of the latter is the well-defined trend of magnetic minima that characterize the Alpine orogenic belt from the Atlas mountains to Eurasia. In contrast, a well-defined magnetic satellite minimum extends across the stable craton from Finland to the Ural mountains. Prominent magnetic maxima characterize the Arabian plate, Iceland, the Kursk region of the central Russian uplift, and generally the Precambrian shields of Africa.

Presumed magnetic biosignatures observed in magnetite derived from abiotic reductive alteration of nanogoethite

NASA Astrophysics Data System (ADS)

Till, Jessica L.; Guyodo, Yohan; Lagroix, France; Morin, Guillaume; Menguy, Nicolas; Ona-Nguema, Georges

2017-03-01

The oriented chains of nanoscale Fe-oxide particles produced by magnetotactic bacteria are a striking example of biomineralization. Several distinguishing features of magnetite particles that comprise bacterial magnetosomes have been proposed to collectively constitute a biosignature of magnetotactic bacteria (Thomas-Keprta et al., 2001). These features include high crystallinity, chemical purity, a single-domain magnetic structure, well-defined crystal morphology, and arrangement of particles in chain structures. Here, we show that magnetite derived from the inorganic breakdown of nanocrystalline goethite exhibits magnetic properties and morphologies remarkably similar to those of biogenic magnetite from magnetosomes. During heating in reducing conditions, oriented nanogoethite aggregates undergo dehydroxylation and transform into stoichiometric magnetite. We demonstrate that highly crystalline single-domain magnetite with euhedral grain morphologies produced abiogenically from goethite meets several of the biogenicity criteria commonly used for the identification of magnetofossils. Furthermore, the suboxic conditions necessary for magnetofossil preservation in sediments are conducive to the reductive alteration of nanogoethite, as well as the preservation of detrital magnetite originally formed from goethite. The findings of this study have potential implications for the identification of biogenic magnetite, particularly in older sediments where diagenesis commonly disrupts the chain structure of magnetosomes. Our results indicate that isolated magnetofossils cannot be positively distinguished from inorganic magnetite on the basis of their magnetic properties and morphology, and that intact chain structures remain the only reliable distinguishing feature of fossil magnetosomes.

SoFoCles: feature filtering for microarray classification based on gene ontology.

PubMed

Papachristoudis, Georgios; Diplaris, Sotiris; Mitkas, Pericles A

2010-02-01

Marker gene selection has been an important research topic in the classification analysis of gene expression data. Current methods try to reduce the "curse of dimensionality" by using statistical intra-feature set calculations, or classifiers that are based on the given dataset. In this paper, we present SoFoCles, an interactive tool that enables semantic feature filtering in microarray classification problems with the use of external, well-defined knowledge retrieved from the Gene Ontology. The notion of semantic similarity is used to derive genes that are involved in the same biological path during the microarray experiment, by enriching a feature set that has been initially produced with legacy methods. Among its other functionalities, SoFoCles offers a large repository of semantic similarity methods that are used in order to derive feature sets and marker genes. The structure and functionality of the tool are discussed in detail, as well as its ability to improve classification accuracy. Through experimental evaluation, SoFoCles is shown to outperform other classification schemes in terms of classification accuracy in two real datasets using different semantic similarity computation approaches.

3D Printing Polymers with Supramolecular Functionality for Biological Applications.

PubMed

Pekkanen, Allison M; Mondschein, Ryan J; Williams, Christopher B; Long, Timothy E

2017-09-11

Supramolecular chemistry continues to experience widespread growth, as fine-tuned chemical structures lead to well-defined bulk materials. Previous literature described the roles of hydrogen bonding, ionic aggregation, guest/host interactions, and π-π stacking to tune mechanical, viscoelastic, and processing performance. The versatility of reversible interactions enables the more facile manufacturing of molded parts with tailored hierarchical structures such as tissue engineered scaffolds for biological applications. Recently, supramolecular polymers and additive manufacturing processes merged to provide parts with control of the molecular, macromolecular, and feature length scales. Additive manufacturing, or 3D printing, generates customizable constructs desirable for many applications, and the introduction of supramolecular interactions will potentially increase production speed, offer a tunable surface structure for controlling cell/scaffold interactions, and impart desired mechanical properties through reinforcing interlayer adhesion and introducing gradients or self-assembled structures. This review details the synthesis and characterization of supramolecular polymers suitable for additive manufacture and biomedical applications as well as the use of supramolecular polymers in additive manufacturing for drug delivery and complex tissue scaffold formation. The effect of supramolecular assembly and its dynamic behavior offers potential for controlling the anisotropy of the printed objects with exquisite geometrical control. The potential for supramolecular polymers to generate well-defined parts, hierarchical structures, and scaffolds with gradient properties/tuned surfaces provides an avenue for developing next-generation biomedical devices and tissue scaffolds.

Some design constraints required for the assembly of software components: The incorporation of atomic abstract types into generically structured abstract types

NASA Technical Reports Server (NTRS)

Johnson, Charles S.

1986-01-01

It is nearly axiomatic, that to take the greatest advantage of the useful features available in a development system, and to avoid the negative interactions of those features, requires the exercise of a design methodology which constrains their use. A major design support feature of the Ada language is abstraction: for data, functions processes, resources, and system elements in general. Atomic abstract types can be created in packages defining those private types and all of the overloaded operators, functions, and hidden data required for their use in an application. Generically structured abstract types can be created in generic packages defining those structured private types, as buildups from the user-defined data types which are input as parameters. A study is made of the design constraints required for software incorporating either atomic or generically structured abstract types, if the integration of software components based on them is to be subsequently performed. The impact of these techniques on the reusability of software and the creation of project-specific software support environments is also discussed.

Hypergraph topological quantities for tagged social networks.

PubMed

Zlatić, Vinko; Ghoshal, Gourab; Caldarelli, Guido

2009-09-01

Recent years have witnessed the emergence of a new class of social networks, which require us to move beyond previously employed representations of complex graph structures. A notable example is that of the folksonomy, an online process where users collaboratively employ tags to resources to impart structure to an otherwise undifferentiated database. In a recent paper, we proposed a mathematical model that represents these structures as tripartite hypergraphs and defined basic topological quantities of interest. In this paper, we extend our model by defining additional quantities such as edge distributions, vertex similarity and correlations as well as clustering. We then empirically measure these quantities on two real life folksonomies, the popular online photo sharing site Flickr and the bookmarking site CiteULike. We find that these systems share similar qualitative features with the majority of complex networks that have been previously studied. We propose that the quantities and methodology described here can be used as a standard tool in measuring the structure of tagged networks.

Hypergraph topological quantities for tagged social networks

NASA Astrophysics Data System (ADS)

Zlatić, Vinko; Ghoshal, Gourab; Caldarelli, Guido

2009-09-01

Recent years have witnessed the emergence of a new class of social networks, which require us to move beyond previously employed representations of complex graph structures. A notable example is that of the folksonomy, an online process where users collaboratively employ tags to resources to impart structure to an otherwise undifferentiated database. In a recent paper, we proposed a mathematical model that represents these structures as tripartite hypergraphs and defined basic topological quantities of interest. In this paper, we extend our model by defining additional quantities such as edge distributions, vertex similarity and correlations as well as clustering. We then empirically measure these quantities on two real life folksonomies, the popular online photo sharing site Flickr and the bookmarking site CiteULike. We find that these systems share similar qualitative features with the majority of complex networks that have been previously studied. We propose that the quantities and methodology described here can be used as a standard tool in measuring the structure of tagged networks.

Object segmentation controls image reconstruction from natural scenes

PubMed Central

2017-01-01

The structure of the physical world projects images onto our eyes. However, those images are often poorly representative of environmental structure: well-defined boundaries within the eye may correspond to irrelevant features of the physical world, while critical features of the physical world may be nearly invisible at the retinal projection. The challenge for the visual cortex is to sort these two types of features according to their utility in ultimately reconstructing percepts and interpreting the constituents of the scene. We describe a novel paradigm that enabled us to selectively evaluate the relative role played by these two feature classes in signal reconstruction from corrupted images. Our measurements demonstrate that this process is quickly dominated by the inferred structure of the environment, and only minimally controlled by variations of raw image content. The inferential mechanism is spatially global and its impact on early visual cortex is fast. Furthermore, it retunes local visual processing for more efficient feature extraction without altering the intrinsic transduction noise. The basic properties of this process can be partially captured by a combination of small-scale circuit models and large-scale network architectures. Taken together, our results challenge compartmentalized notions of bottom-up/top-down perception and suggest instead that these two modes are best viewed as an integrated perceptual mechanism. PMID:28827801

Multidetector CT features of pulmonary focal ground-glass opacity: differences between benign and malignant

PubMed Central

Fan, L; Liu, S-Y; Li, Q-C; Yu, H; Xiao, X-S

2012-01-01

Objective To evaluate different features between benign and malignant pulmonary focal ground-glass opacity (fGGO) on multidetector CT (MDCT). Methods 82 pathologically or clinically confirmed fGGOs were retrospectively analysed with regard to demographic data, lesion size and location, attenuation value and MDCT features including shape, margin, interface, internal characteristics and adjacent structure. Differences between benign and malignant fGGOs were analysed using a χ2 test, Fisher's exact test or Mann–Whitney U-test. Morphological characteristics were analysed by binary logistic regression analysis to estimate the likelihood of malignancy. Results There were 21 benign and 61 malignant lesions. No statistical differences were found between benign and malignant fGGOs in terms of demographic data, size, location and attenuation value. The frequency of lobulation (p=0.000), spiculation (p=0.008), spine-like process (p=0.004), well-defined but coarse interface (p=0.000), bronchus cut-off (p=0.003), other air-containing space (p=0.000), pleural indentation (p=0.000) and vascular convergence (p=0.006) was significantly higher in malignant fGGOs than that in benign fGGOs. Binary logistic regression analysis showed that lobulation, interface and pleural indentation were important indicators for malignant diagnosis of fGGO, with the corresponding odds ratios of 8.122, 3.139 and 9.076, respectively. In addition, a well-defined but coarse interface was the most important indicator of malignancy among all interface types. With all three important indicators considered, the diagnostic sensitivity, specificity and accuracy were 93.4%, 66.7% and 86.6%, respectively. Conclusion An fGGO with lobulation, a well-defined but coarse interface and pleural indentation gives a greater than average likelihood of being malignant. PMID:22128130

Computational approaches to define a human milk metaglycome

PubMed Central

Agravat, Sanjay B.; Song, Xuezheng; Rojsajjakul, Teerapat; Cummings, Richard D.; Smith, David F.

2016-01-01

Motivation: The goal of deciphering the human glycome has been hindered by the lack of high-throughput sequencing methods for glycans. Although mass spectrometry (MS) is a key technology in glycan sequencing, MS alone provides limited information about the identification of monosaccharide constituents, their anomericity and their linkages. These features of individual, purified glycans can be partly identified using well-defined glycan-binding proteins, such as lectins and antibodies that recognize specific determinants within glycan structures. Results: We present a novel computational approach to automate the sequencing of glycans using metadata-assisted glycan sequencing, which combines MS analyses with glycan structural information from glycan microarray technology. Success in this approach was aided by the generation of a ‘virtual glycome’ to represent all potential glycan structures that might exist within a metaglycomes based on a set of biosynthetic assumptions using known structural information. We exploited this approach to deduce the structures of soluble glycans within the human milk glycome by matching predicted structures based on experimental data against the virtual glycome. This represents the first meta-glycome to be defined using this method and we provide a publically available web-based application to aid in sequencing milk glycans. Availability and implementation: http://glycomeseq.emory.edu Contact: sagravat@bidmc.harvard.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26803164

SCPRED: accurate prediction of protein structural class for sequences of twilight-zone similarity with predicting sequences.

PubMed

Kurgan, Lukasz; Cios, Krzysztof; Chen, Ke

2008-05-01

Protein structure prediction methods provide accurate results when a homologous protein is predicted, while poorer predictions are obtained in the absence of homologous templates. However, some protein chains that share twilight-zone pairwise identity can form similar folds and thus determining structural similarity without the sequence similarity would be desirable for the structure prediction. The folding type of a protein or its domain is defined as the structural class. Current structural class prediction methods that predict the four structural classes defined in SCOP provide up to 63% accuracy for the datasets in which sequence identity of any pair of sequences belongs to the twilight-zone. We propose SCPRED method that improves prediction accuracy for sequences that share twilight-zone pairwise similarity with sequences used for the prediction. SCPRED uses a support vector machine classifier that takes several custom-designed features as its input to predict the structural classes. Based on extensive design that considers over 2300 index-, composition- and physicochemical properties-based features along with features based on the predicted secondary structure and content, the classifier's input includes 8 features based on information extracted from the secondary structure predicted with PSI-PRED and one feature computed from the sequence. Tests performed with datasets of 1673 protein chains, in which any pair of sequences shares twilight-zone similarity, show that SCPRED obtains 80.3% accuracy when predicting the four SCOP-defined structural classes, which is superior when compared with over a dozen recent competing methods that are based on support vector machine, logistic regression, and ensemble of classifiers predictors. The SCPRED can accurately find similar structures for sequences that share low identity with sequence used for the prediction. The high predictive accuracy achieved by SCPRED is attributed to the design of the features, which are capable of separating the structural classes in spite of their low dimensionality. We also demonstrate that the SCPRED's predictions can be successfully used as a post-processing filter to improve performance of modern fold classification methods.

SCPRED: Accurate prediction of protein structural class for sequences of twilight-zone similarity with predicting sequences

PubMed Central

Kurgan, Lukasz; Cios, Krzysztof; Chen, Ke

2008-01-01

Background Protein structure prediction methods provide accurate results when a homologous protein is predicted, while poorer predictions are obtained in the absence of homologous templates. However, some protein chains that share twilight-zone pairwise identity can form similar folds and thus determining structural similarity without the sequence similarity would be desirable for the structure prediction. The folding type of a protein or its domain is defined as the structural class. Current structural class prediction methods that predict the four structural classes defined in SCOP provide up to 63% accuracy for the datasets in which sequence identity of any pair of sequences belongs to the twilight-zone. We propose SCPRED method that improves prediction accuracy for sequences that share twilight-zone pairwise similarity with sequences used for the prediction. Results SCPRED uses a support vector machine classifier that takes several custom-designed features as its input to predict the structural classes. Based on extensive design that considers over 2300 index-, composition- and physicochemical properties-based features along with features based on the predicted secondary structure and content, the classifier's input includes 8 features based on information extracted from the secondary structure predicted with PSI-PRED and one feature computed from the sequence. Tests performed with datasets of 1673 protein chains, in which any pair of sequences shares twilight-zone similarity, show that SCPRED obtains 80.3% accuracy when predicting the four SCOP-defined structural classes, which is superior when compared with over a dozen recent competing methods that are based on support vector machine, logistic regression, and ensemble of classifiers predictors. Conclusion The SCPRED can accurately find similar structures for sequences that share low identity with sequence used for the prediction. The high predictive accuracy achieved by SCPRED is attributed to the design of the features, which are capable of separating the structural classes in spite of their low dimensionality. We also demonstrate that the SCPRED's predictions can be successfully used as a post-processing filter to improve performance of modern fold classification methods. PMID:18452616

Three-dimensional {Co(3+)-Zn2+} and {Co(3+)-Cd2+} networks originated from carboxylate-rich building blocks: syntheses, structures, and heterogeneous catalysis.

PubMed

Kumar, Girijesh; Gupta, Rajeev

2013-10-07

The present work shows the utilization of Co(3+) complexes appended with either para- or meta-arylcarboxylic acid groups as the molecular building blocks for the construction of three-dimensional {Co(3+)-Zn(2+)} and {Co(3+)-Cd(2+)} heterobimetallic networks. The structural characterizations of these networks show several interesting features including well-defined pores and channels. These networks function as heterogeneous and reusable catalysts for the regio- and stereoselective ring-opening reactions of various epoxides and size-selective cyanation reactions of assorted aldehydes.

Calibration under uncertainty for finite element models of masonry monuments

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

Atamturktur, Sezer,; Hemez, Francois,; Unal, Cetin

2010-02-01

Historical unreinforced masonry buildings often include features such as load bearing unreinforced masonry vaults and their supporting framework of piers, fill, buttresses, and walls. The masonry vaults of such buildings are among the most vulnerable structural components and certainly among the most challenging to analyze. The versatility of finite element (FE) analyses in incorporating various constitutive laws, as well as practically all geometric configurations, has resulted in the widespread use of the FE method for the analysis of complex unreinforced masonry structures over the last three decades. However, an FE model is only as accurate as its input parameters, andmore » there are two fundamental challenges while defining FE model input parameters: (1) material properties and (2) support conditions. The difficulties in defining these two aspects of the FE model arise from the lack of knowledge in the common engineering understanding of masonry behavior. As a result, engineers are unable to define these FE model input parameters with certainty, and, inevitably, uncertainties are introduced to the FE model.« less

TRANSAT-- method for detecting the conserved helices of functional RNA structures, including transient, pseudo-knotted and alternative structures.

PubMed

Wiebe, Nicholas J P; Meyer, Irmtraud M

2010-06-24

The prediction of functional RNA structures has attracted increased interest, as it allows us to study the potential functional roles of many genes. RNA structure prediction methods, however, assume that there is a unique functional RNA structure and also do not predict functional features required for in vivo folding. In order to understand how functional RNA structures form in vivo, we require sophisticated experiments or reliable prediction methods. So far, there exist only a few, experimentally validated transient RNA structures. On the computational side, there exist several computer programs which aim to predict the co-transcriptional folding pathway in vivo, but these make a range of simplifying assumptions and do not capture all features known to influence RNA folding in vivo. We want to investigate if evolutionarily related RNA genes fold in a similar way in vivo. To this end, we have developed a new computational method, Transat, which detects conserved helices of high statistical significance. We introduce the method, present a comprehensive performance evaluation and show that Transat is able to predict the structural features of known reference structures including pseudo-knotted ones as well as those of known alternative structural configurations. Transat can also identify unstructured sub-sequences bound by other molecules and provides evidence for new helices which may define folding pathways, supporting the notion that homologous RNA sequence not only assume a similar reference RNA structure, but also fold similarly. Finally, we show that the structural features predicted by Transat differ from those assuming thermodynamic equilibrium. Unlike the existing methods for predicting folding pathways, our method works in a comparative way. This has the disadvantage of not being able to predict features as function of time, but has the considerable advantage of highlighting conserved features and of not requiring a detailed knowledge of the cellular environment.

Three-Dimensional Structures Self-Assembled from DNA Bricks

PubMed Central

Ke, Yonggang; Ong, Luvena L.; Shih, William M.; Yin, Peng

2013-01-01

We describe a simple and robust method to construct complex three-dimensional (3D) structures using short synthetic DNA strands that we call “DNA bricks”. In one-step annealing reactions, bricks with hundreds of distinct sequences self-assemble into prescribed 3D shapes. Each 32-nucleotide brick is a modular component; it binds to four local neighbors and can be removed or added independently. Each 8-base-pair interaction between bricks defines a voxel with dimensions 2.5 nanometers by 2.5 nanometers by 2.7 nanometers, and a master brick collection defines a “molecular canvas” with dimensions of 10 by 10 by 10 voxels. By selecting subsets of bricks from this canvas, we constructed a panel of 102 distinct shapes exhibiting sophisticated surface features as well as intricate interior cavities and tunnels. PMID:23197527

Western Pacific Tropical Cyclone Adaptive Observing of Inner Core Life-cycle Structure and Intensity Change

DTIC Science & Technology

2009-09-30

airborne radar images; develop an analysis scheme for the monsoon and storm- scale circulation features that would: a. Define large-scale context...Doppler radar observations of TC mesoscale observations. The TCS-08 field program provided unique aircraft reconnaissance (recon) data that will be...system for WC-130J, as well as developed new system for recording airborne radar video for the first time. 3. Created an archive of all WC-130J

Computer-aided diagnostic approach of dermoscopy images acquiring relevant features

NASA Astrophysics Data System (ADS)

Castillejos-Fernández, H.; Franco-Arcega, A.; López-Ortega, O.

2016-09-01

In skin cancer detection, automated analysis of borders, colors, and structures of a lesion relies upon an accurate segmentation process and it is an important first step in any Computer-Aided Diagnosis (CAD) system. However, irregular and disperse lesion borders, low contrast, artifacts in images and variety of colors within the interest region make the problem difficult. In this paper, we propose an efficient approach of automatic classification which considers specific lesion features. First, for the selection of lesion skin we employ the segmentation algorithm W-FCM.1 Then, in the feature extraction stage we consider several aspects: the area of the lesion, which is calculated by correlating axes and we calculate the specific the value of asymmetry in both axes. For color analysis we employ an ensemble of clusterers including K-Means, Fuzzy K-Means and Kohonep maps, all of which estimate the presence of one or more colors defined in ABCD rule and the values for each of the segmented colors. Another aspect to consider is the type of structures that appear in the lesion Those are defined by using the ell-known GLCM method. During the classification stage we compare several methods in order to define if the lesion is benign or malignant. An important contribution of the current approach in segmentation-classification problem resides in the use of information from all color channels together, as well as the measure of each color in the lesion and the axes correlation. The segmentation and classification measures have been performed using sensibility, specificity, accuracy and AUC metric over a set of dermoscopy images from ISDIS data set

Methodologies for Verification and Validation of Space Launch System (SLS) Structural Dynamic Models

NASA Technical Reports Server (NTRS)

Coppolino, Robert N.

2018-01-01

Responses to challenges associated with verification and validation (V&V) of Space Launch System (SLS) structural dynamics models are presented in this paper. Four methodologies addressing specific requirements for V&V are discussed. (1) Residual Mode Augmentation (RMA), which has gained acceptance by various principals in the NASA community, defines efficient and accurate FEM modal sensitivity models that are useful in test-analysis correlation and reconciliation and parametric uncertainty studies. (2) Modified Guyan Reduction (MGR) and Harmonic Reduction (HR, introduced in 1976), developed to remedy difficulties encountered with the widely used Classical Guyan Reduction (CGR) method, are presented. MGR and HR are particularly relevant for estimation of "body dominant" target modes of shell-type SLS assemblies that have numerous "body", "breathing" and local component constituents. Realities associated with configuration features and "imperfections" cause "body" and "breathing" mode characteristics to mix resulting in a lack of clarity in the understanding and correlation of FEM- and test-derived modal data. (3) Mode Consolidation (MC) is a newly introduced procedure designed to effectively "de-feature" FEM and experimental modes of detailed structural shell assemblies for unambiguous estimation of "body" dominant target modes. Finally, (4) Experimental Mode Verification (EMV) is a procedure that addresses ambiguities associated with experimental modal analysis of complex structural systems. Specifically, EMV directly separates well-defined modal data from spurious and poorly excited modal data employing newly introduced graphical and coherence metrics.

THE STRUCTURE OF RIFF.

ERIC Educational Resources Information Center

APPLEGATE, JOSEPH R.

THE PURPOSE OF THIS DESCRIPTIVE STUDY IS TO DEFINE THE MAJOR STRUCTURAL FEATURES OF RIFF, A BERBER LANGUAGE SPOKEN BY THE BERBER TRIBESMEN OF THE RIF IN NORTHERN MOROCCO. THE DESCRIPTION IS PRESENTED IN THREE PARTS--PHONOLOGY, MORPHOLOGY, AND SYNTAX. THE PHONEMES ARE DESCRIBED IN TERMS OF DISTINCTIVE FEATURES. PHARYNGEALIZATION AND TENSION ARE…

AN OUTLINE OF THE STRUCTURE OF KABYLE.

ERIC Educational Resources Information Center

APPLEGATE, JOSEPH R.

THE PURPOSE OF THIS DESCRIPTIVE STUDY IS TO DEFINE THE MAJOR STRUCTURAL FEATURES OF KABYLE, A GROUP OF BERBER DIALECTS SPOKEN CHIEFLY IN NORTHERN AND CENTRAL ALGERIA. THE DESCRIPTION IS PRESENTED IN THREE PARTS--PHONOLOGY, MORPHOLOGY, AND SYNTAX. THE PHONEMES ARE DESCRIBED IN TERMS OF DISTINCTIVE FEATURES. PHARYNGEALIZATION AND GEMINATION ARE…

Ballistic pulse propagation in quantum wire waveguides: Toward localization and control of electron wave packets in space and time

NASA Astrophysics Data System (ADS)

Hayata, K.; Tsuji, Y.; Koshiba, M.

1992-10-01

A theoretical formulation of electron pulse propagation in quantum wire structures with mesoscopic scale cross sections is presented, assuming quantum ballistic transport of electron wave packets over a certain characteristic length. As typical mesoscopic structures for realizing coherent electron transmission, two traveling-wave configurations are considered: straight quantum wire waveguides and quantum wire bend structures (quantum whispering galleries). To estimate temporal features of the pulse during propagation, the walk off, the dispersion, and the pulse coherence lengths are defined as useful characteristic lengths. Numerical results are shown for ultrashort pulse propagation through rectangular wire waveguides. Effects due to an external electric field are discussed as well.

Multiple conformations are a conserved and regulatory feature of the RB1 5′ UTR

PubMed Central

Kutchko, Katrina M.; Sanders, Wes; Ziehr, Ben; Phillips, Gabriela; Solem, Amanda; Halvorsen, Matthew; Weeks, Kevin M.; Moorman, Nathaniel

2015-01-01

Folding to a well-defined conformation is essential for the function of structured ribonucleic acids (RNAs) like the ribosome and tRNA. Structured elements in the untranslated regions (UTRs) of specific messenger RNAs (mRNAs) are known to control expression. The importance of unstructured regions adopting multiple conformations, however, is still poorly understood. High-resolution SHAPE-directed Boltzmann suboptimal sampling of the Homo sapiens Retinoblastoma 1 (RB1) 5′ UTR yields three distinct conformations compatible with the experimental data. Private single nucleotide variants (SNVs) identified in two patients with retinoblastoma each collapse the structural ensemble to a single but distinct well-defined conformation. The RB1 5′ UTRs from Bos taurus (cow) and Trichechus manatus latirostris (manatee) are divergent in sequence from H. sapiens (human) yet maintain structural compatibility with high-probability base pairs. SHAPE chemical probing of the cow and manatee RB1 5′ UTRs reveals that they also adopt multiple conformations. Luciferase reporter assays reveal that 5′ UTR mutations alter RB1 expression. In a traditional model of disease, causative SNVs disrupt a key structural element in the RNA. For the subset of patients with heritable retinoblastoma-associated SNVs in the RB1 5′ UTR, the absence of multiple structures is likely causative of the cancer. Our data therefore suggest that selective pressure will favor multiple conformations in eukaryotic UTRs to regulate expression. PMID:25999316

Synthesis and Structural Studies of Calcium and Magnesium Phosphinate and Phosphonate Compounds

NASA Astrophysics Data System (ADS)

Bampoh, Victoria Naa Kwale

The work presented herein describes synthetic methodologies leading to the design of a wide array of magnesium and calcium based phosphinate and phosphonates with possible applications as bone scaffolding materials or additives to bone cements. The challenge to the chemistry of the alkaline earth phosphonate target compounds includes poor solubility of compounds, and poorly understood details on the control of the metal's coordination environment. Hence, less is known on phosphonate based alkaline earth metal organic frameworks as compared to transition metal phosphonates. Factors governing the challenges in obtaining crystalline, well-defined magnesium and calcium solids lie in the large metal diameters, the absence of energetically available d-orbitals to direct metal geometry, as well as the overall weakness of the metal-ligand bonds. A significant part of this project was concerned with the development of suitable reaction conditions to obtain X-ray quality crystals of the reaction products to allow for structural elucidation of the novel compounds. Various methodologies to aid in crystal growth including hydrothermal methods and gel crystallization were employed. We have used phosphinate and phosphonate ligands with different number of phosphorus oxygen atoms as well as diphosphonates with different linker lengths to determine their effects on the overall structural features. An interesting correlation is observed between the dimensionality of products and the increasing number of donor oxygen atoms in the ligands as we progress from phosphinic acid to the phosphorous acids. As an example, monophosphinate ligand only yielded one-dimensional compounds, whereas the phosphonates crystallize as one and two-dimensional compounds, and the di- and triphosphonate based compounds display two or three-dimensional geometries. This thesis provides a selection of calcium and magnesium compounds with one-dimensional geometry, as represented in a calcium phosphinate to novel two-dimensional sheets of magnesium and pillared calcium phosphonates. The preparation of these novel compounds has led to the establishment of synthetic protocols that allow for the direct preparation of compounds with defined structural features.

Improving link prediction in complex networks by adaptively exploiting multiple structural features of networks

NASA Astrophysics Data System (ADS)

Ma, Chuang; Bao, Zhong-Kui; Zhang, Hai-Feng

2017-10-01

So far, many network-structure-based link prediction methods have been proposed. However, these methods only highlight one or two structural features of networks, and then use the methods to predict missing links in different networks. The performances of these existing methods are not always satisfied in all cases since each network has its unique underlying structural features. In this paper, by analyzing different real networks, we find that the structural features of different networks are remarkably different. In particular, even in the same network, their inner structural features are utterly different. Therefore, more structural features should be considered. However, owing to the remarkably different structural features, the contributions of different features are hard to be given in advance. Inspired by these facts, an adaptive fusion model regarding link prediction is proposed to incorporate multiple structural features. In the model, a logistic function combing multiple structural features is defined, then the weight of each feature in the logistic function is adaptively determined by exploiting the known structure information. Last, we use the "learnt" logistic function to predict the connection probabilities of missing links. According to our experimental results, we find that the performance of our adaptive fusion model is better than many similarity indices.

REPDOSE: A database on repeated dose toxicity studies of commercial chemicals--A multifunctional tool.

PubMed

Bitsch, A; Jacobi, S; Melber, C; Wahnschaffe, U; Simetska, N; Mangelsdorf, I

2006-12-01

A database for repeated dose toxicity data has been developed. Studies were selected by data quality. Review documents or risk assessments were used to get a pre-screened selection of available valid data. The structure of the chemicals should be rather simple for well defined chemical categories. The database consists of three core data sets for each chemical: (1) structural features and physico-chemical data, (2) data on study design, (3) study results. To allow consistent queries, a high degree of standardization categories and glossaries were developed for relevant parameters. At present, the database consists of 364 chemicals investigated in 1018 studies which resulted in a total of 6002 specific effects. Standard queries have been developed, which allow analyzing the influence of structural features or PC data on LOELs, target organs and effects. Furthermore, it can be used as an expert system. First queries have shown that the database is a very valuable tool.

Hierarchically structured Co₃O₄@Pt@MnO₂ nanowire arrays for high-performance supercapacitors.

PubMed

Xia, Hui; Zhu, Dongdong; Luo, Zhentao; Yu, Yue; Shi, Xiaoqin; Yuan, Guoliang; Xie, Jianping

2013-10-17

Here we proposed a novel architectural design of a ternary MnO2-based electrode - a hierarchical Co3O4@Pt@MnO2 core-shell-shell structure, where the complemental features of the three key components (a well-defined Co3O4 nanowire array on the conductive Ti substrate, an ultrathin layer of small Pt nanoparticles, and a thin layer of MnO2 nanoflakes) are strategically combined into a single entity to synergize and construct a high-performance electrode for supercapacitors. Owing to the high conductivity of the well-defined Co3O4 nanowire arrays, in which the conductivity was further enhanced by a thin metal (Pt) coating layer, in combination with the large surface area provided by the small MnO2 nanoflakes, the as-fabricated Co3O4@Pt@MnO2 nanowire arrays have exhibited high specific capacitances, good rate capability, and excellent cycling stability. The architectural design demonstrated in this study provides a new approach to fabricate high-performance MnO2-based nanowire arrays for constructing next-generation supercapacitors.

Hierarchically Structured Co3O4@Pt@MnO2 Nanowire Arrays for High-Performance Supercapacitors

NASA Astrophysics Data System (ADS)

Xia, Hui; Zhu, Dongdong; Luo, Zhentao; Yu, Yue; Shi, Xiaoqin; Yuan, Guoliang; Xie, Jianping

2013-10-01

Here we proposed a novel architectural design of a ternary MnO2-based electrode - a hierarchical Co3O4@Pt@MnO2 core-shell-shell structure, where the complemental features of the three key components (a well-defined Co3O4 nanowire array on the conductive Ti substrate, an ultrathin layer of small Pt nanoparticles, and a thin layer of MnO2 nanoflakes) are strategically combined into a single entity to synergize and construct a high-performance electrode for supercapacitors. Owing to the high conductivity of the well-defined Co3O4 nanowire arrays, in which the conductivity was further enhanced by a thin metal (Pt) coating layer, in combination with the large surface area provided by the small MnO2 nanoflakes, the as-fabricated Co3O4@Pt@MnO2 nanowire arrays have exhibited high specific capacitances, good rate capability, and excellent cycling stability. The architectural design demonstrated in this study provides a new approach to fabricate high-performance MnO2-based nanowire arrays for constructing next-generation supercapacitors.

Memory on time

PubMed Central

Eichenbaum, Howard

2013-01-01

Considerable recent work has shown that the hippocampus is critical for remembering the order of events in distinct experiences, a defining feature of episodic memory. Correspondingly, hippocampal neuronal activity can ‘replay’ sequential events in memories and hippocampal neuronal ensembles represent a gradually changing temporal context signal. Most strikingly, single hippocampal neurons – called time cells – encode moments in temporally structured experiences much as the well-known place cells encode locations in spatially structured experiences. These observations bridge largely disconnected literatures on the role of the hippocampus in episodic memory and spatial mapping, and suggest that the fundamental function of the hippocampus is to establish spatio-temporal frameworks for organizing memories. PMID:23318095

Gold nanocrystals with DNA-directed morphologies.

PubMed

Ma, Xingyi; Huh, June; Park, Wounjhang; Lee, Luke P; Kwon, Young Jik; Sim, Sang Jun

2016-09-16

Precise control over the structure of metal nanomaterials is important for developing advanced nanobiotechnology. Assembly methods of nanoparticles into structured blocks have been widely demonstrated recently. However, synthesis of nanocrystals with controlled, three-dimensional structures remains challenging. Here we show a directed crystallization of gold by a single DNA molecular regulator in a sequence-independent manner and its applications in three-dimensional topological controls of crystalline nanostructures. We anchor DNA onto gold nanoseed with various alignments to form gold nanocrystals with defined topologies. Some topologies are asymmetric including pushpin-, star- and biconcave disk-like structures, as well as more complex jellyfish- and flower-like structures. The approach of employing DNA enables the solution-based synthesis of nanocrystals with controlled, three-dimensional structures in a desired direction, and expands the current tools available for designing and synthesizing feature-rich nanomaterials for future translational biotechnology.

Gold nanocrystals with DNA-directed morphologies

NASA Astrophysics Data System (ADS)

Ma, Xingyi; Huh, June; Park, Wounjhang; Lee, Luke P.; Kwon, Young Jik; Sim, Sang Jun

2016-09-01

Precise control over the structure of metal nanomaterials is important for developing advanced nanobiotechnology. Assembly methods of nanoparticles into structured blocks have been widely demonstrated recently. However, synthesis of nanocrystals with controlled, three-dimensional structures remains challenging. Here we show a directed crystallization of gold by a single DNA molecular regulator in a sequence-independent manner and its applications in three-dimensional topological controls of crystalline nanostructures. We anchor DNA onto gold nanoseed with various alignments to form gold nanocrystals with defined topologies. Some topologies are asymmetric including pushpin-, star- and biconcave disk-like structures, as well as more complex jellyfish- and flower-like structures. The approach of employing DNA enables the solution-based synthesis of nanocrystals with controlled, three-dimensional structures in a desired direction, and expands the current tools available for designing and synthesizing feature-rich nanomaterials for future translational biotechnology.

Beliefs About the Causal Structure of the Self-Concept Determine Which Changes Disrupt Personal Identity.

PubMed

Chen, Stephanie Y; Urminsky, Oleg; Bartels, Daniel M

2016-10-01

Personal identity is an important determinant of behavior, yet how people mentally represent their self-concepts and their concepts of other people is not well understood. In the current studies, we examined the age-old question of what makes people who they are. We propose a novel approach to identity that suggests that the answer lies in people's beliefs about how the features of identity (e.g., memories, moral qualities, personality traits) are causally related to each other. We examined the impact of the causal centrality of a feature, a key determinant of the extent to which a feature defines a concept, on judgments of identity continuity. We found support for this approach in three experiments using both measured and manipulated causal centrality. For judgments both of one's self and of others, we found that some features are perceived to be more causally central than others and that changes in such causally central features are believed to be more disruptive to identity.

EEG resolutions in detecting and decoding finger movements from spectral analysis

PubMed Central

Xiao, Ran; Ding, Lei

2015-01-01

Mu/beta rhythms are well-studied brain activities that originate from sensorimotor cortices. These rhythms reveal spectral changes in alpha and beta bands induced by movements of different body parts, e.g., hands and limbs, in electroencephalography (EEG) signals. However, less can be revealed in them about movements of different fine body parts that activate adjacent brain regions, such as individual fingers from one hand. Several studies have reported spatial and temporal couplings of rhythmic activities at different frequency bands, suggesting the existence of well-defined spectral structures across multiple frequency bands. In the present study, spectral principal component analysis (PCA) was applied on EEG data, obtained from a finger movement task, to identify cross-frequency spectral structures. Features from identified spectral structures were examined in their spatial patterns, cross-condition pattern changes, detection capability of finger movements from resting, and decoding performance of individual finger movements in comparison to classic mu/beta rhythms. These new features reveal some similar, but more different spatial and spectral patterns as compared with classic mu/beta rhythms. Decoding results further indicate that these new features (91%) can detect finger movements much better than classic mu/beta rhythms (75.6%). More importantly, these new features reveal discriminative information about movements of different fingers (fine body-part movements), which is not available in classic mu/beta rhythms. The capability in decoding fingers (and hand gestures in the future) from EEG will contribute significantly to the development of non-invasive BCI and neuroprosthesis with intuitive and flexible controls. PMID:26388720

One perspective on spatial variability in geologic mapping

USGS Publications Warehouse

Markewich, H.W.; Cooper, S.C.

1991-01-01

This paper discusses some of the differences between geologic mapping and soil mapping, and how the resultant maps are interpreted. The role of spatial variability in geologic mapping is addressed only indirectly because in geologic mapping there have been few attempts at quantification of spatial differences. This is largely because geologic maps deal with temporal as well as spatial variability and consider time, age, and origin, as well as composition and geometry. Both soil scientists and geologists use spatial variability to delineate mappable units; however, the classification systems from which these mappable units are defined differ greatly. Mappable soil units are derived from systematic, well-defined, highly structured sets of taxonomic criteria; whereas mappable geologic units are based on a more arbitrary heirarchy of categories that integrate many features without strict values or definitions. Soil taxonomy is a sorting tool used to reduce heterogeneity between soil units. Thus at the series level, soils in any one series are relatively homogeneous because their range of properties is small and well-defined. Soil maps show the distribution of soils on the land surface. Within a map area, soils, which are often less than 2 m thick, show a direct correlation to topography and to active surface processes as well as to parent material.

Distinctiveness of management in a university psychiatric hospital as a public health institution.

PubMed

Koncina, Miroslav

2008-06-01

The distinctiveness of management of a university psychiatric hospital which has the status of a public health institution is manifested in the following ways: * Distinctive features and characteristics of managing service provider organizations compared to those whose operational results involve tangible products; * Distinctive features of management which originate from its role as a regional hospital and a tertiary research and educational institution in the field of psychiatry, with special importance for the Republic of Slovenia as a whole; * Distinctive features of management that are defined by the social and legal framework of operation of public health institutions and their special social mission. This paper therefore discusses the specific theoretical and practical findings regarding management of service provider organizations from the viewpoint of their social mission and significance, as well as their legal organization, internal structure and values.

Morphologic features of basal cell carcinoma using the en-face mode in frequency domain optical coherence tomography.

PubMed

von Braunmühl, T; Hartmann, D; Tietze, J K; Cekovic, D; Kunte, C; Ruzicka, T; Berking, C; Sattler, E C

2016-11-01

Optical coherence tomography (OCT) has become a valuable non-invasive tool in the in vivo diagnosis of non-melanoma skin cancer, especially of basal cell carcinoma (BCC). Due to an updated software-supported algorithm, a new en-face mode - similar to the horizontal en-face mode in high-definition OCT and reflectance confocal microscopy - surface-parallel imaging is possible which, in combination with the established slice mode of frequency domain (FD-)OCT, may offer additional information in the diagnosis of BCC. To define characteristic morphologic features of BCC using the new en-face mode in addition to the conventional cross-sectional imaging mode for three-dimensional imaging of BCC in FD-OCT. A total of 33 BCC were examined preoperatively by imaging in en-face mode as well as cross-sectional mode in FD-OCT. Characteristic features were evaluated and correlated with histopathology findings. Features established in the cross-sectional imaging mode as well as additional features were present in the en-face mode of FD-OCT: lobulated structures (100%), dark peritumoral rim (75%), bright peritumoral stroma (96%), branching vessels (90%), compressed fibrous bundles between lobulated nests ('star shaped') (78%), and intranodular small bright dots (51%). These features were also evaluated according to the histopathological subtype. In the en-face mode, the lobulated structures with compressed fibrous bundles of the BCC were more distinct than in the slice mode. FD-OCT with a new depiction for horizontal and vertical imaging modes offers additional information in the diagnosis of BCC, especially in nodular BCC, and enhances the possibility of the evaluation of morphologic tumour features. © 2016 European Academy of Dermatology and Venereology.

Discriminant Features and Temporal Structure of Nonmanuals in American Sign Language

PubMed Central

Benitez-Quiroz, C. Fabian; Gökgöz, Kadir; Wilbur, Ronnie B.; Martinez, Aleix M.

2014-01-01

To fully define the grammar of American Sign Language (ASL), a linguistic model of its nonmanuals needs to be constructed. While significant progress has been made to understand the features defining ASL manuals, after years of research, much still needs to be done to uncover the discriminant nonmanual components. The major barrier to achieving this goal is the difficulty in correlating facial features and linguistic features, especially since these correlations may be temporally defined. For example, a facial feature (e.g., head moves down) occurring at the end of the movement of another facial feature (e.g., brows moves up), may specify a Hypothetical conditional, but only if this time relationship is maintained. In other instances, the single occurrence of a movement (e.g., brows move up) can be indicative of the same grammatical construction. In the present paper, we introduce a linguistic–computational approach to efficiently carry out this analysis. First, a linguistic model of the face is used to manually annotate a very large set of 2,347 videos of ASL nonmanuals (including tens of thousands of frames). Second, a computational approach is used to determine which features of the linguistic model are more informative of the grammatical rules under study. We used the proposed approach to study five types of sentences – Hypothetical conditionals, Yes/no questions, Wh-questions, Wh-questions postposed, and Assertions – plus their polarities – positive and negative. Our results verify several components of the standard model of ASL nonmanuals and, most importantly, identify several previously unreported features and their temporal relationship. Notably, our results uncovered a complex interaction between head position and mouth shape. These findings define some temporal structures of ASL nonmanuals not previously detected by other approaches. PMID:24516528

Aspects of the structure of film expression and anthropological paradigm of films reception in Croatian cinema and TV distribution.

PubMed

Svilicić, Niksa

2012-09-01

This research paper deals with one part of a comprehensive study called "Causality of narratological-semiotic aspects of the structure of film expression and paradigms of reception of Croatian feature film". It is conceived as a response to the hypothesis that the expression of narrative-semiotic terms correlate with the reception of the Croatian feature film audience and all them leads into a broader holistic i.e. anthropological context.The basic idea of scientific research is to analyze the complete feature productions since Croatian independence 1991 to date, presented at the National Film Festival (film festival in Pula), identify, define and isolate positive social narrative-semiotic stereotypes, which can then serve as a paradigm of better ratings and increase of the currently very low rating of domestic films in Croatian cinemas, as well as TV distribution. In other words, the paper will be analyzed and processed by a range of different effects based on narrative-semiotic, set design and mise-en-scène motives, used in the Croatian feature films since independence to date, that we assume to positively influence the mood of the viewer, and thus increase the rating of the film.

The highly conserved codon following the slippery sequence supports -1 frameshift efficiency at the HIV-1 frameshift site.

PubMed

Mathew, Suneeth F; Crowe-McAuliffe, Caillan; Graves, Ryan; Cardno, Tony S; McKinney, Cushla; Poole, Elizabeth S; Tate, Warren P

2015-01-01

HIV-1 utilises -1 programmed ribosomal frameshifting to translate structural and enzymatic domains in a defined proportion required for replication. A slippery sequence, U UUU UUA, and a stem-loop are well-defined RNA features modulating -1 frameshifting in HIV-1. The GGG glycine codon immediately following the slippery sequence (the 'intercodon') contributes structurally to the start of the stem-loop but has no defined role in current models of the frameshift mechanism, as slippage is inferred to occur before the intercodon has reached the ribosomal decoding site. This GGG codon is highly conserved in natural isolates of HIV. When the natural intercodon was replaced with a stop codon two different decoding molecules-eRF1 protein or a cognate suppressor tRNA-were able to access and decode the intercodon prior to -1 frameshifting. This implies significant slippage occurs when the intercodon is in the (perhaps distorted) ribosomal A site. We accommodate the influence of the intercodon in a model of frame maintenance versus frameshifting in HIV-1.

Linguistic Features and Schematic Textual Structure in Look-Good Advertisements in the Indian Print Media in English

ERIC Educational Resources Information Center

Singh, Sukhdev; Bedi, Navkiran Kaur

2013-01-01

Every text has a communicative purpose that it performs by dividing itself into generic stages. These stages are assigned specific goals and have differing linguistic structures. This paper makes an attempt to investigate whether there is a definable co-relation between linguistic features and stages in the genre of look-good advertisements. It…

Variable density thinning promotes variable structural responses 14 years after treatment in the Pacific Northwest

Treesearch

John L. Willis; Scott D. Roberts; Constance A. Harrington

2018-01-01

Young stands are commonly assumed to require centuries to develop into late-successional forest habitat. This viewpoint reflects the fact that young stands often lack many of the structural features that define late-successional habitat, and that these features derive from complex stand dynamics that are difficult to mimic with forest management. Variable density...

Distinguishing between gaming and gambling activities in addiction research.

PubMed

King, Daniel L; Gainsbury, Sally M; Delfabbro, Paul H; Hing, Nerilee; Abarbanel, Brett

2015-12-01

Gambling and gaming activities have become increasingly recognised as sharing many common features at a structural and aesthetic level. Both have also been implicated as contributing to harm through excessive involvement. Despite this, relatively little attention has been given to the fundamental characteristics that differentiate these two classes of activity, especially in situations where the boundaries between them may be particularly hard to distinguish. This is evident, for example, in digital games that incorporate free and paid virtual currencies or items, as well as the capacity for wagering. Such overlaps create problems for regulatory classifications, screening, diagnosis and treatment. Is the problem related to the gambling or gaming content? In this paper, we review the principal sources of overlap between the activity classes in terms of several dimensions: interactivity, monetisation, betting and wagering, types of outcomes, structural fidelity, context and centrality of content, and advertising. We argue that gaming is principally defined by its interactivity, skill-based play, and contextual indicators of progression and success. In contrast, gambling is defined by betting and wagering mechanics, predominantly chance-determined outcomes, and monetisation features that involve risk and payout to the player. A checklist measure is provided, with practical examples, to examine activities according to features of design and function, which may inform guidelines for policy makers, researchers and treatment providers. We suggest that, in some instances, using category-based nomenclature (e.g., "gambling-like game") may be too vague or cumbersome to adequately organise our understanding of new gaming/gambling hybrid activities.

Comparing writing style feature-based classification methods for estimating user reputations in social media.

PubMed

Suh, Jong Hwan

2016-01-01

In recent years, the anonymous nature of the Internet has made it difficult to detect manipulated user reputations in social media, as well as to ensure the qualities of users and their posts. To deal with this, this study designs and examines an automatic approach that adopts writing style features to estimate user reputations in social media. Under varying ways of defining Good and Bad classes of user reputations based on the collected data, it evaluates the classification performance of the state-of-art methods: four writing style features, i.e. lexical, syntactic, structural, and content-specific, and eight classification techniques, i.e. four base learners-C4.5, Neural Network (NN), Support Vector Machine (SVM), and Naïve Bayes (NB)-and four Random Subspace (RS) ensemble methods based on the four base learners. When South Korea's Web forum, Daum Agora, was selected as a test bed, the experimental results show that the configuration of the full feature set containing content-specific features and RS-SVM combining RS and SVM gives the best accuracy for classification if the test bed poster reputations are segmented strictly into Good and Bad classes by portfolio approach. Pairwise t tests on accuracy confirm two expectations coming from the literature reviews: first, the feature set adding content-specific features outperform the others; second, ensemble learning methods are more viable than base learners. Moreover, among the four ways on defining the classes of user reputations, i.e. like, dislike, sum, and portfolio, the results show that the portfolio approach gives the highest accuracy.

Quantitative verification of thin-film polyvinylidene fluoride (PVDF) transducer array performance up to 60 °C

NASA Astrophysics Data System (ADS)

Hakoda, Christopher; Ren, Baiyang; Lissenden, Cliff J.; Rose, Joseph L.

2017-02-01

Thin-film PVDF (polyvinylidene fluoride) transducers are appealing as low cost, light weight, durable, and flexible sensors for structural health monitoring applications in aircraft structures. However, due to the relatively low Curie temperature of PVDF, there is a concern that it's performance will drop below acceptable levels during elevated-temperature operating conditions. To verify acceptable performance in these environmental operating conditions, temperature history data were collected between 23-60 °C. The effect of temperature on the thin-film PVDF was investigated and a temperature-independent damage feature was assessed. The temperature dependence of the signal's peak amplitude was investigated in both the time domain and the spectral domain to get two damage features. It was found that the measurement of the incident guided wave by the thin-film PVDF transducer had a temperature dependence that varied with frequency. A third damage feature, the mode ratio, was also calculated in the spectral domain with the goal of defining a damage feature that is temperature independent. A comparison of how well these damage features performed when used to identify a notch in an aluminum plate was made using receiver operating characteristic curves and their respective area under the curve values. This result demonstrated that a temperature-independent damage feature can be calculated, to some degree, by using a mode ratio between two modes of similar temperature dependence.

Anomalous sound absorption in the Voronoi liquid

NASA Astrophysics Data System (ADS)

Farago, Jean; Ruscher, CéLine; Semenov, Alexandr; Baschnagel, Joerg

The physics of simple fluids in the hydrodynamic limit, and notably the connection between the proper microscopic scales and the macroscopic hydrodynamical description are nowadays well understood. In particular, the three peak shape of the dynamical structure factor S (k , ω) is a universal feature, as well as the k-dependence of the peak position ( k), and width k2 , the latter accounting for the sound attenuation rate. In this talk, I will present a theoretical model of monodisperse fluid, whose interactions are defined via the Voronoi tessellations of the configurations (called the Voronoi liquid and first studied in), which displays at low temperatures a marked violation of the universal features of S (k , ω) with sound attenuation rate only k . This anomalous behaviour, which apparently violates the basic symmetries of the liquid state, is traced back to the existence of a timescale which is both (1) short enough for the viscoelastic features of the liquid to impact the relaxational dynamics and (2) long enough for the momentum diffusion to be substantially slower than the sound propagation on that characteristic time.

Automated extraction of knowledge for model-based diagnostics

NASA Technical Reports Server (NTRS)

Gonzalez, Avelino J.; Myler, Harley R.; Towhidnejad, Massood; Mckenzie, Frederic D.; Kladke, Robin R.

1990-01-01

The concept of accessing computer aided design (CAD) design databases and extracting a process model automatically is investigated as a possible source for the generation of knowledge bases for model-based reasoning systems. The resulting system, referred to as automated knowledge generation (AKG), uses an object-oriented programming structure and constraint techniques as well as internal database of component descriptions to generate a frame-based structure that describes the model. The procedure has been designed to be general enough to be easily coupled to CAD systems that feature a database capable of providing label and connectivity data from the drawn system. The AKG system is capable of defining knowledge bases in formats required by various model-based reasoning tools.

Non-parametric adaptative JPEG fragments carving

NASA Astrophysics Data System (ADS)

Amrouche, Sabrina Cherifa; Salamani, Dalila

2018-04-01

The most challenging JPEG recovery tasks arise when the file header is missing. In this paper we propose to use a two layer machine learning model to restore headerless JPEG images. We first build a classifier able to identify the structural properties of the images/fragments and then use an AutoEncoder (AE) to learn the fragment features for the header prediction. We define a JPEG universal header and the remaining free image parameters (Height, Width) are predicted with a Gradient Boosting Classifier. Our approach resulted in 90% accuracy using the manually defined features and 78% accuracy using the AE features.

Atrial fibrillation driver mechanisms: Insight from the isolated human heart.

PubMed

Csepe, Thomas A; Hansen, Brian J; Fedorov, Vadim V

2017-01-01

Although there have been great technological advances in the treatment of atrial fibrillation (AF), current therapies remain limited due to a narrow understanding of AF mechanisms in the human heart. This review will highlight our recent studies on explanted human hearts where we developed and employed a novel functional-structural mapping approach by integrating high-resolution simultaneous endo-epicardial and panoramic optical mapping with 3D gadolinium-enhanced MRI to define the spatiotemporal characteristics of AF drivers and their structural substrates. The results allow us to postulate that the primary mechanism of AF maintenance in human hearts is a limited number of localized intramural microanatomic reentrant AF drivers anchored to heart-specific 3D fibrotically insulated myobundle tracks, which may remain hidden to clinical single-surface electrode mapping. We suggest that ex vivo human heart studies, by using an integrated 3D functional and structural mapping approach, will help to reveal defining features of AF drivers as well as validate and improve clinical approaches to detect and target these AF drivers in patients with cardiac diseases. Copyright © 2016 Elsevier Inc. All rights reserved.

Speech coding, reconstruction and recognition using acoustics and electromagnetic waves

DOEpatents

Holzrichter, J.F.; Ng, L.C.

1998-03-17

The use of EM radiation in conjunction with simultaneously recorded acoustic speech information enables a complete mathematical coding of acoustic speech. The methods include the forming of a feature vector for each pitch period of voiced speech and the forming of feature vectors for each time frame of unvoiced, as well as for combined voiced and unvoiced speech. The methods include how to deconvolve the speech excitation function from the acoustic speech output to describe the transfer function each time frame. The formation of feature vectors defining all acoustic speech units over well defined time frames can be used for purposes of speech coding, speech compression, speaker identification, language-of-speech identification, speech recognition, speech synthesis, speech translation, speech telephony, and speech teaching. 35 figs.

Speech coding, reconstruction and recognition using acoustics and electromagnetic waves

DOEpatents

Holzrichter, John F.; Ng, Lawrence C.

1998-01-01

The use of EM radiation in conjunction with simultaneously recorded acoustic speech information enables a complete mathematical coding of acoustic speech. The methods include the forming of a feature vector for each pitch period of voiced speech and the forming of feature vectors for each time frame of unvoiced, as well as for combined voiced and unvoiced speech. The methods include how to deconvolve the speech excitation function from the acoustic speech output to describe the transfer function each time frame. The formation of feature vectors defining all acoustic speech units over well defined time frames can be used for purposes of speech coding, speech compression, speaker identification, language-of-speech identification, speech recognition, speech synthesis, speech translation, speech telephony, and speech teaching.

Review of the Functions of Archimedes’ Spiral Metallic Nanostructures

PubMed Central

Li, Zixiang; Zhang, Jingran; Guo, Kai; Shen, Fei; Zhou, Qingfeng; Zhou, Hongping

2017-01-01

Here, we have reviewed some typical plasmonic structures based on Archimedes’ spiral (AS) architectures, which can produce polarization-sensitive focusing phenomenon and generate plasmonic vortices (PVs) carrying controllable orbital angular momentum (OAM) because of the relation between the incident polarized states and the chiralities of the spiral structures. These features can be used to analyze different circular polarization states, which has been one of the rapidly developing researching topics in nanophotonics in recent years. Many investigations demonstrate that the multifunctional spiral-based plasmonic structures are excellent choices for chiral selection and generating the transmitted field with well-defined OAM. The circular polarization extinction ratio, as an evaluation criterion for the polarization selectivity of a designed structure, could be effectively improved by properly modulating the parameters of spiral structures. Such functional spiral plasmonic nanostructures are promising for applications in analyzing circular polarization light, full Stokes vector polarimetric sensors, near-field imaging, and so on. PMID:29165382

A one-dimensional ice structure built from pentagons

NASA Astrophysics Data System (ADS)

Carrasco, Javier; Michaelides, Angelos; Forster, Matthew; Haq, Sam; Raval, Rasmita; Hodgson, Andrew

2009-05-01

Heterogeneous ice nucleation has a key role in fields as diverse as atmospheric chemistry and biology. Ice nucleation on metal surfaces affords an opportunity to watch this process unfold at the molecular scale on a well-defined, planar interface. A common feature of structural models for such films is that they are built from hexagonal arrangements of molecules. Here we show, through a combination of scanning tunnelling microscopy, infrared spectroscopy and density-functional theory, that about 1-nm-wide ice chains that nucleate on Cu(110) are not built from hexagons, but instead are built from a face-sharing arrangement of water pentagons. The pentagon structure is favoured over others because it maximizes the water-metal bonding while maintaining a strong hydrogen-bonding network. It reveals an unanticipated structural adaptability of water-ice films, demonstrating that the presence of the substrate can be sufficient to favour non-hexagonal structural units.

Plasmonic nanostructures through DNA-assisted lithography

PubMed Central

Shen, Boxuan; Linko, Veikko; Tapio, Kosti; Pikker, Siim; Lemma, Tibebe; Gopinath, Ashwin; Gothelf, Kurt V.; Kostiainen, Mauri A.; Toppari, J. Jussi

2018-01-01

Programmable self-assembly of nucleic acids enables the fabrication of custom, precise objects with nanoscale dimensions. These structures can be further harnessed as templates to build novel materials such as metallic nanostructures, which are widely used and explored because of their unique optical properties and their potency to serve as components of novel metamaterials. However, approaches to transfer the spatial information of DNA constructions to metal nanostructures remain a challenge. We report a DNA-assisted lithography (DALI) method that combines the structural versatility of DNA origami with conventional lithography techniques to create discrete, well-defined, and entirely metallic nanostructures with designed plasmonic properties. DALI is a parallel, high-throughput fabrication method compatible with transparent substrates, thus providing an additional advantage for optical measurements, and yields structures with a feature size of ~10 nm. We demonstrate its feasibility by producing metal nanostructures with a chiral plasmonic response and bowtie-shaped nanoantennas for surface-enhanced Raman spectroscopy. We envisage that DALI can be generalized to large substrates, which would subsequently enable scale-up production of diverse metallic nanostructures with tailored plasmonic features. PMID:29423446

Method for hierarchical modeling of the command of flexible manufacturing systems

NASA Astrophysics Data System (ADS)

Ausfelder, Christian; Castelain, Emmanuel; Gentina, Jean-Claude

1994-04-01

The present paper focuses on the modeling of the command and proposes a hierarchical and modular approach which is oriented on the physical structure of FMS. The requirements issuing from monitoring of FMS are discussed and integrated in the proposed model. Its modularity makes the approach open for extensions concerning as well the production resources as the products. As a modeling tool, we have chosen Object Petri nets. The first part of the paper describes desirable features of an FMS command such as safety, robustness, and adaptability. As it is shown, these features result from the flexibility of the installation. The modeling method presented in the second part of the paper begins with a structural analysis of FMS and defines a natural command hierarchy, where the coordination of the production process, the synchronization of production resources on products, and the internal coordination are treated separately. The method is rigorous and leads to a structured and modular Petri net model which can be used for FMS simulation or translated into the final command code.

Hierarchically Structured Co3O4@Pt@MnO2 Nanowire Arrays for High-Performance Supercapacitors

PubMed Central

Xia, Hui; Zhu, Dongdong; Luo, Zhentao; Yu, Yue; Shi, Xiaoqin; Yuan, Guoliang; Xie, Jianping

2013-01-01

Here we proposed a novel architectural design of a ternary MnO2-based electrode – a hierarchical Co3O4@Pt@MnO2 core-shell-shell structure, where the complemental features of the three key components (a well-defined Co3O4 nanowire array on the conductive Ti substrate, an ultrathin layer of small Pt nanoparticles, and a thin layer of MnO2 nanoflakes) are strategically combined into a single entity to synergize and construct a high-performance electrode for supercapacitors. Owing to the high conductivity of the well-defined Co3O4 nanowire arrays, in which the conductivity was further enhanced by a thin metal (Pt) coating layer, in combination with the large surface area provided by the small MnO2 nanoflakes, the as-fabricated Co3O4@Pt@MnO2 nanowire arrays have exhibited high specific capacitances, good rate capability, and excellent cycling stability. The architectural design demonstrated in this study provides a new approach to fabricate high-performance MnO2–based nanowire arrays for constructing next-generation supercapacitors. PMID:24132040

In search of a unifying theory of complex brain evolution.

PubMed

Krubitzer, Leah

2009-03-01

The neocortex is the part of the brain that is involved in perception, cognition, and volitional motor control. In mammals it is a highly dynamic structure that has been dramatically altered in different lineages, and these alterations account for the remarkable variations in behavior that species exhibit. When we consider how this structure changes and becomes more complex in some mammals such as humans, we must also consider how the alterations that occur at macro levels of organization, such as the level of the individual and social system, as well as micro levels of organization, such as the level of neurons, synapses and molecules, impact the neocortex. It is also important to consider the constraints imposed on the evolution of the neocortex. Observations of highly conserved features of cortical organization that all mammals share, as well as the convergent evolution of similar features of organization, indicate that the constraints imposed on the neocortex are pervasive and restrict the avenues along which evolution can proceed. Although both genes and the laws of physics place formidable constraints on the evolution of all animals, humans have evolved a number of mechanisms that allow them to loosen these constraints and often alter the course of their own evolution. While this cortical plasticity is a defining feature of mammalian neocortex, it appears to be exaggerated in humans and could be considered a unique derivation of our species.

Features of Inner Structure of Placer Gold of the North-Eastern Part Siberian Platform

NASA Astrophysics Data System (ADS)

Gerasimov, Boris; Zhuravlev, Anatolii; Ivanov, Alexey

2017-12-01

Mineral and raw material base of placer and ore gold is based on prognosis evaluation, which allows to define promising areas regarding gold-bearing deposit prospecting. But there are some difficulties in gold primary source predicting and prospecting at the North-east Siberian platform, because the studied area is overlapped by thick cover of the Cenozoic deposits, where traditional methods of gold deposit prospecting are ineffective. In this connection, detailed study of typomorphic features of placer gold is important, because it contains key genetic information, necessary for development of mineralogical criteria of prognosis evaluation of ore gold content. Authors studied mineralogical-geochemical features of placer gold of the Anabar placer area for 15 years, with a view to identify indicators of gold, typical for different formation types of primary sources. This article presents results of these works. In placer regions, where primary sources of gold are not identified, there is need to study typomorphic features of placer gold, because it contains important genetic information, necessary for the development of mineralogical criteria of prognosis evaluation of ore gold content. Inner structures of gold from the Anabar placer region are studied, as one of the diagnostic typomorphic criteria as described in prominent method, developed by N.V. Petrovskaya [1980]. Etching of gold was carried out using reagent: HCl + HNO3 + FeCl3 × 6H2O + CrO3 +thioureat + water. Identified inner structures wer studied in details by means of scanning electron microscope JEOL JSM-6480LV. Two types of gold are identified according to the features of inner structure of placer gold of the Anabar region. First type - medium-high karat fine, well processed gold with significantly changed inner structure. This gold is allochthonous, which was redeposited many times from ancient intermediate reservoirs to younger deposits. Second type - low-medium karat, poorly rounded gold with unchanged inner structure. Poor roundness of gold particles and preservation of their primary inner structures indicate close proximity of primary source.

Simple ray tracing of Galileo-observed hectometric attenuation features

NASA Astrophysics Data System (ADS)

Higgins, Charles A.; Thieman, James R.; Fung, Shing F.; Green, James L.; Candey, Robert M.

Observations of persistent structural features within Jovian hectometric (HOM) radio emission have been made with the Galileo spacecraft. Two well-defined sinusoidal-shaped ``band'' features of reduced emission intensity and occurrence probability exist at all Jovian longitudes and nearly cover the entire spectrum of HOM radio emission from ~500 kHz to 3000 kHz. These two sinusoidal lanes have a bandwidth of 200-400 kHz and are 180° out of phase with one another, suggesting that they are a result of HOM radio emission propagation processes from opposite hemispheres. These features become more apparent when presented as intensity or occurrence probability spectrograms added together over multiple Jovian rotations. Enhancements in the HOM intensity and occurrence are seen along the edges of one of the observed sinusoidal lane features which may indicate caustic surfaces due to refraction along the propagation path. We present some simple ray tracing analyses to show that refraction from density enhancements in the Io torus flux tube may explain some of the observations. Using this simple method, we approximate the density enhancements in the Io flux tube to be 100 cm-3.

Employing Eigenvalue Ratios to Generate Prior Fracture-like Features for Stochastic Hydrogeophysical Characterization of a Fractured Aquifer System

NASA Astrophysics Data System (ADS)

Brewster, J.; Oware, E. K.

2017-12-01

Groundwater hosted in fractured rocks constitutes almost 65% of the principal aquifers in the US. The exploitation and contaminant management of fractured aquifers require fracture flow and transport modeling, which in turn requires a detailed understanding of the structure of the aquifer. The widely used equivalent porous medium approach to modeling fractured aquifer systems is inadequate to accurately predict fracture transport processes due to the averaging of the sharp lithological contrast between the matrix and the fractures. The potential of geophysical imaging (GI) to estimate spatially continuous subsurface profiles in a minimally invasive fashion is well proven. Conventional deterministic GI strategies, however, produce geologically unrealistic, smoothed-out results due to commonly enforced smoothing constraints. Stochastic GI of fractured aquifers is becoming increasing appealing due to its ability to recover realistic fracture features while providing multiple likely realizations that enable uncertainty assessment. Generating prior spatial features consistent with the expected target structures is crucial in stochastic imaging. We propose to utilize eigenvalue ratios to resolve the elongated fracture features expected in a fractured aquifer system. Eigenvalues capture the major and minor directions of variability in a region, which can be employed to evaluate shape descriptors, such as eccentricity (elongation) and orientation of features in the region. Eccentricity ranges from zero to one, representing a circularly sharped to a line feature, respectively. Here, we apply eigenvalue ratios to define a joint objective parameter consisting of eccentricity (shape) and direction terms to guide the generation of prior fracture-like features in some predefined principal directions for stochastic GI. Preliminary unconditional, synthetic experiments reveal the potential of the algorithm to simulate prior fracture-like features. We illustrate the strategy with a 2D, cross-borehole electrical resistivity tomography (ERT) in a fractured aquifer at the UB Environmental Geophysics Imaging Site, with tomograms validated with gamma and caliper logs obtained from the two ERT wells.

Active Contours Driven by Multi-Feature Gaussian Distribution Fitting Energy with Application to Vessel Segmentation.

PubMed

Wang, Lei; Zhang, Huimao; He, Kan; Chang, Yan; Yang, Xiaodong

2015-01-01

Active contour models are of great importance for image segmentation and can extract smooth and closed boundary contours of the desired objects with promising results. However, they cannot work well in the presence of intensity inhomogeneity. Hence, a novel region-based active contour model is proposed by taking image intensities and 'vesselness values' from local phase-based vesselness enhancement into account simultaneously to define a novel multi-feature Gaussian distribution fitting energy in this paper. This energy is then incorporated into a level set formulation with a regularization term for accurate segmentations. Experimental results based on publicly available STructured Analysis of the Retina (STARE) demonstrate our model is more accurate than some existing typical methods and can successfully segment most small vessels with varying width.

An Atomistic View of Amyloidogenic Self-assembly: Structure and Dynamics of Heterogeneous Conformational States in the Pre-nucleation Phase

PubMed Central

Matthes, Dirk; Gapsys, Vytautas; Brennecke, Julian T.; de Groot, Bert L.

2016-01-01

The formation of well-defined filamentous amyloid structures involves a polydisperse collection of oligomeric states for which relatively little is known in terms of structural organization. Here we use extensive, unbiased explicit solvent molecular dynamics (MD) simulations to investigate the structural and dynamical features of oligomeric aggregates formed by a number of highly amyloidogenic peptides at atomistic resolution on the μs time scale. A consensus approach has been adopted to analyse the simulations in multiple force fields, yielding an in-depth characterization of pre-fibrillar oligomers and their global and local structure properties. A collision cross section analysis revealed structurally heterogeneous aggregate ensembles for the individual oligomeric states that lack a single defined quaternary structure during the pre-nucleation phase. To gain insight into the conformational space sampled in early aggregates, we probed their substructure and found emerging β-sheet subunit layers and a multitude of ordered intermolecular β-structure motifs with growing aggregate size. Among those, anti-parallel out-of-register β-strands compatible with toxic β-barrel oligomers were particularly prevalent already in smaller aggregates and formed prior to ordered fibrillar structure elements. Notably, also distinct fibril-like conformations emerged in the oligomeric state and underscore the notion that pre-nucleated oligomers serve as a critical intermediate step on-pathway to fibrils. PMID:27616019

The Crsut Structure of Northwest Mexico Through Multipath Surface Waves Analysis

NASA Astrophysics Data System (ADS)

Hincapie, J.; Doser, D. I.; Ortega, R.

2005-12-01

The location of the crystalline basement and other crustal features in Northwestern Mexico (Sonora, and Chihuahua) is not well defined. This information is required to better understand its tectonic setting. Several researchers have carried out preliminary studies with results that show a great uncertainty about the velocity structure of the region as well. The only conclusion those studies agree upon is that the region has remarkable similarities with the southwestern U.S. Our study uses information from earthquakes originating in the Gulf of California, and recorded at broadband stations in the U.S. (Arizona, New Mexico, Texas) to determine the velocity structure of the region. Because earthquake sources occur along a 1200km long zone within the gulf, we are able to sample a variety of travel paths within Northwest Mexico. We will analyze Pnl waveforms, coda dacay, and surface waves to build a regional velocity attenuation model. The results are compared to regional gravity and magnetic maps.

Radiological features of primitive neuroectodermal tumors in intra-abdominal and retroperitoneal regions: A series of 18 cases

PubMed Central

Zhang, Youming; Xiao, Desheng; Yin, Hongling; Long, Xueying; Li, Li; Zai, Hongyan; Chen, Minfeng; Li, Wenzheng; Sun, Lunquan

2017-01-01

Objectives To characterize the imaging and clinicopathological features of primitive neuroectodermal tumors (PNETs) arising in intra-abdominal and retroperitoneal regions. Methods Eighteen patients with histopathologically proven intra-abdominal and retroperitoneal PNET were enrolled; computed tomography was performed for all cases, and magnetic resonance imaging was performed for a single case. Typical computed tomography and magnetic resonance imaging findings, including morphology, texture and enhancement features, as well as clinicopathological characteristics and prognosis data were retrospectively analyzed. Results Of eighteen PNET patients, fifteen were male and three were female, with a median age of 36 years (range, 2–65 years). The onset of symptoms was most often nonspecific and insidious. The mean tumor diameter was 7.2 cm (range, 3.0–12.1 cm), with necrosis in fifteen cases, cystic changes in eight, partition structure in five, calcification in five, hemorrhage in two, and mural nodules in one. Contrast enhanced computed tomography showed multiple tiny feeding arteries within the masses in six cases, resulting in a crab-like appearance, and mild ring enhancement pattern in five cases. Eleven cases showed surrounding invasion and metastasis. Of the eighteen PNET cases, nine cases showed smooth, well-defined margins, and nine cases had irregular, ill-defined margins. A median survival was 10.0±1.6 months. However, chemotherapy had efficacy on patients even those with advanced disease. Conclusions Primary intra-abdominal and retroperitoneal PNETs are rare, and imaging features documented here may help the diagnosis of this severe disease. Notably, two signs present in retroperitoneal PNET tumors, including a mild ring enhancement pattern and a crab-like appearance of the tiny feeding arteries, may have the potential to help us improve the ability to make a relatively reliable diagnosis. PMID:28319177

Landmark-based deep multi-instance learning for brain disease diagnosis.

PubMed

Liu, Mingxia; Zhang, Jun; Adeli, Ehsan; Shen, Dinggang

2018-01-01

In conventional Magnetic Resonance (MR) image based methods, two stages are often involved to capture brain structural information for disease diagnosis, i.e., 1) manually partitioning each MR image into a number of regions-of-interest (ROIs), and 2) extracting pre-defined features from each ROI for diagnosis with a certain classifier. However, these pre-defined features often limit the performance of the diagnosis, due to challenges in 1) defining the ROIs and 2) extracting effective disease-related features. In this paper, we propose a landmark-based deep multi-instance learning (LDMIL) framework for brain disease diagnosis. Specifically, we first adopt a data-driven learning approach to discover disease-related anatomical landmarks in the brain MR images, along with their nearby image patches. Then, our LDMIL framework learns an end-to-end MR image classifier for capturing both the local structural information conveyed by image patches located by landmarks and the global structural information derived from all detected landmarks. We have evaluated our proposed framework on 1526 subjects from three public datasets (i.e., ADNI-1, ADNI-2, and MIRIAD), and the experimental results show that our framework can achieve superior performance over state-of-the-art approaches. Copyright © 2017 Elsevier B.V. All rights reserved.

Classifying distinct basal cell carcinoma subtype by means of dermatoscopy and reflectance confocal microscopy.

PubMed

Longo, Caterina; Lallas, Aimilios; Kyrgidis, Athanassios; Rabinovitz, Harold; Moscarella, Elvira; Ciardo, Silvana; Zalaudek, Iris; Oliviero, Margaret; Losi, Amanda; Gonzalez, Salvador; Guitera, Pascale; Piana, Simonetta; Argenziano, Giuseppe; Pellacani, Giovanni

2014-10-01

The current guidelines for the management of basal cell carcinoma (BCC) suggest a different therapeutic approach according to histopathologic subtype. Although dermatoscopic and confocal criteria of BCC have been investigated, no specific studies were performed to evaluate the distinct reflectance confocal microscopy (RCM) aspects of BCC subtypes. To define the specific dermatoscopic and confocal criteria for delineating different BCC subtypes. Dermatoscopic and confocal images of histopathologically confirmed BCCs were retrospectively evaluated for the presence of predefined criteria. Frequencies of dermatoscopic and confocal parameters are provided. Univariate and adjusted odds ratios were calculated. Discriminant analyses were performed to define the independent confocal criteria for distinct BCC subtypes. Eighty-eight BCCs were included. Dermatoscopically, superficial BCCs (n=44) were primarily typified by the presence of fine telangiectasia, multiple erosions, leaf-like structures, and revealed cords connected to the epidermis and epidermal streaming upon RCM. Nodular BCCs (n=22) featured the classic dermatoscopic features and well outlined large basaloid islands upon RCM. Infiltrative BCCs (n=22) featured structureless, shiny red areas, fine telangiectasia, and arborizing vessels on dermatoscopy and dark silhouettes upon RCM. The retrospective design. Dermatoscopy and confocal microscopy can reliably classify different BCC subtypes. Copyright © 2014 American Academy of Dermatology, Inc. Published by Elsevier Inc. All rights reserved.

SMOG 2: A Versatile Software Package for Generating Structure-Based Models.

PubMed

Noel, Jeffrey K; Levi, Mariana; Raghunathan, Mohit; Lammert, Heiko; Hayes, Ryan L; Onuchic, José N; Whitford, Paul C

2016-03-01

Molecular dynamics simulations with coarse-grained or simplified Hamiltonians have proven to be an effective means of capturing the functionally important long-time and large-length scale motions of proteins and RNAs. Originally developed in the context of protein folding, structure-based models (SBMs) have since been extended to probe a diverse range of biomolecular processes, spanning from protein and RNA folding to functional transitions in molecular machines. The hallmark feature of a structure-based model is that part, or all, of the potential energy function is defined by a known structure. Within this general class of models, there exist many possible variations in resolution and energetic composition. SMOG 2 is a downloadable software package that reads user-designated structural information and user-defined energy definitions, in order to produce the files necessary to use SBMs with high performance molecular dynamics packages: GROMACS and NAMD. SMOG 2 is bundled with XML-formatted template files that define commonly used SBMs, and it can process template files that are altered according to the needs of each user. This computational infrastructure also allows for experimental or bioinformatics-derived restraints or novel structural features to be included, e.g. novel ligands, prosthetic groups and post-translational/transcriptional modifications. The code and user guide can be downloaded at http://smog-server.org/smog2.

A graph grammar approach to artificial life.

PubMed

Kniemeyer, Ole; Buck-Sorlin, Gerhard H; Kurth, Winfried

2004-01-01

We present the high-level language of relational growth grammars (RGGs) as a formalism designed for the specification of ALife models. RGGs can be seen as an extension of the well-known parametric Lindenmayer systems and contain rule-based, procedural, and object-oriented features. They are defined as rewriting systems operating on graphs with the edges coming from a set of user-defined relations, whereas the nodes can be associated with objects. We demonstrate their ability to represent genes, regulatory networks of metabolites, and morphologically structured organisms, as well as developmental aspects of these entities, in a common formal framework. Mutation, crossing over, selection, and the dynamics of a network of gene regulation can all be represented with simple graph rewriting rules. This is demonstrated in some detail on the classical example of Dawkins' biomorphs and the ABC model of flower morphogenesis: other applications are briefly sketched. An interactive program was implemented, enabling the execution of the formalism and the visualization of the results.

Speech coding, reconstruction and recognition using acoustics and electromagnetic waves

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

Holzrichter, J.F.; Ng, L.C.

The use of EM radiation in conjunction with simultaneously recorded acoustic speech information enables a complete mathematical coding of acoustic speech. The methods include the forming of a feature vector for each pitch period of voiced speech and the forming of feature vectors for each time frame of unvoiced, as well as for combined voiced and unvoiced speech. The methods include how to deconvolve the speech excitation function from the acoustic speech output to describe the transfer function each time frame. The formation of feature vectors defining all acoustic speech units over well defined time frames can be used formore » purposes of speech coding, speech compression, speaker identification, language-of-speech identification, speech recognition, speech synthesis, speech translation, speech telephony, and speech teaching. 35 figs.« less

Distinguishing between gaming and gambling activities in addiction research

PubMed Central

King, Daniel L.; Gainsbury, Sally M.; Delfabbro, Paul H.; Hing, Nerilee; Abarbanel, Brett

2015-01-01

Background and Aims Gambling and gaming activities have become increasingly recognised as sharing many common features at a structural and aesthetic level. Both have also been implicated as contributing to harm through excessive involvement. Despite this, relatively little attention has been given to the fundamental characteristics that differentiate these two classes of activity, especially in situations where the boundaries between them may be particularly hard to distinguish. This is evident, for example, in digital games that incorporate free and paid virtual currencies or items, as well as the capacity for wagering. Such overlaps create problems for regulatory classifications, screening, diagnosis and treatment. Is the problem related to the gambling or gaming content? Methods In this paper, we review the principal sources of overlap between the activity classes in terms of several dimensions: interactivity, monetisation, betting and wagering, types of outcomes, structural fidelity, context and centrality of content, and advertising. Results We argue that gaming is principally defined by its interactivity, skill-based play, and contextual indicators of progression and success. In contrast, gambling is defined by betting and wagering mechanics, predominantly chance-determined outcomes, and monetisation features that involve risk and payout to the player. A checklist measure is provided, with practical examples, to examine activities according to features of design and function, which may inform guidelines for policy makers, researchers and treatment providers. Discussion and conclusions We suggest that, in some instances, using category-based nomenclature (e.g., “gambling-like game”) may be too vague or cumbersome to adequately organise our understanding of new gaming/gambling hybrid activities. PMID:26690615

Sequence, Structural Analysis and Metrics to Define the Unique Dynamic Features of the Flap Regions Among Aspartic Proteases.

PubMed

McGillewie, Lara; Ramesh, Muthusamy; Soliman, Mahmoud E

2017-10-01

Aspartic proteases are a class of hydrolytic enzymes that have been implicated in a number of diseases such as HIV, malaria, cancer and Alzheimer's. The flap region of aspartic proteases is a characteristic unique structural feature of these enzymes; and found to have a profound impact on protein overall structure, function and dynamics. Flap dynamics also plays a crucial role in drug binding and drug resistance. Therefore, understanding the structure and dynamic behavior of this flap regions is crucial in the design of potent and selective inhibitors against aspartic proteases. Defining metrics that can describe the flap motion/dynamics has been a challenging topic in literature. This review is the first attempt to compile comprehensive information on sequence, structure, motion and metrics used to assess the dynamics of the flap region of different aspartic proteases in "one pot". We believe that this review would be of critical importance to the researchers from different scientific domains.

The Structure of Reciprocity

ERIC Educational Resources Information Center

Molm, Linda D.

2010-01-01

Reciprocity is one of the defining features of social exchange and social life, yet exchange theorists have tended to take it for granted. Drawing on work from a decade-long theoretical research program, I argue that reciprocity is structured and variable across different forms of exchange, that these variations in the structure of reciprocity…

Coupling fine-scale root and canopy structure using ground-based remote sensing

Treesearch

Brady Hardiman; Christopher Gough; John Butnor; Gil Bohrer; Matteo Detto; Peter Curtis

2017-01-01

Ecosystem physical structure, defined by the quantity and spatial distribution of biomass, influences a range of ecosystem functions. Remote sensing tools permit the non-destructive characterization of canopy and root features, potentially providing opportunities to link above- and belowground structure at fine spatial resolution in...

Recent Advances in the Structural Mechanisms of DNA Glycosylases

PubMed Central

Brooks, Sonja C.; Adhikary, Suraj; Rubinson, Emily H.; Eichman, Brandt F.

2012-01-01

DNA glycosylases safeguard the genome by locating and excising a diverse array of aberrant nucleobases created from oxidation, alkylation, and deamination of DNA. Since the discovery 28 years ago that these enzymes employ a base flipping mechanism to trap their substrates, six different protein architectures have been identified to perform the same basic task. Work over the past several years has unraveled details for how the various DNA glycosylases survey DNA, detect damage within the duplex, select for the correct modification, and catalyze base excision. Here, we provide a broad overview of these latest advances in glycosylase mechanisms gleaned from structural enzymology, highlighting features common to all glycosylases as well as key differences that define their particular substrate specificities. PMID:23076011

Conservation of Pax gene expression in ectodermal placodes of the lamprey

NASA Technical Reports Server (NTRS)

McCauley, David W.; Bronner-Fraser, Marianne

2002-01-01

Ectodermal placodes contribute to the cranial ganglia and sense organs of the head and, together with neural crest cells, represent defining features of the vertebrate embryo. The identity of different placodes appears to be specified in part by the expression of different Pax genes, with Pax-3/7 class genes being expressed in the trigeminal placode of mice, chick, frogs and fish, and Pax-2/5/8 class genes expressed in the otic placode. Here, we present the cloning and expression pattern of lamprey Pax-7 and Pax-2, which mark the trigeminal and otic placodes, respectively, as well as other structures characteristic of vertebrate Pax genes. These results suggest conservation of Pax genes and placodal structures in basal and derived vertebrates.

Defining the loop structures in proteins based on composite β-turn mimics.

PubMed

Dhar, Jesmita; Chakrabarti, Pinak

2015-06-01

Asx- and ω-turns are β-turn mimics, which replace the conventional main-chain hydrogen bonds seen in the latter by those involving the side chains, and both involve three residues. In this paper we analyzed the cases where these turns occur together--side by side, with or without any gap, overlapping and in any order. These composite turns (of length 3-15 residues), occurring at ∼1 per 100 residues, may constitute the full length of many loops, and when the residues in the two component turns overlap or are adjacent to each other, the composite may take well-defined shape. It is thus possible for non-regular regions in protein structure to form local structural motifs, akin to the regular geometrical features exhibited by secondary structures. Composites having the order ω-turns followed by Asx-turns can constitute N-terminal helix capping motif. Ternary composite turns (made up of ω-, Asx- and ST-turns), some with characteristic shape, have also been identified. Delineation of composite turns would help in characterizing loops in protein structures, which often have functional roles. Some sequence patterns seen in composites can be used for their incorporation in protein design. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

"Radio-oncomics" : The potential of radiomics in radiation oncology.

PubMed

Peeken, Jan Caspar; Nüsslin, Fridtjof; Combs, Stephanie E

2017-10-01

Radiomics, a recently introduced concept, describes quantitative computerized algorithm-based feature extraction from imaging data including computer tomography (CT), magnetic resonance imaging (MRT), or positron-emission tomography (PET) images. For radiation oncology it offers the potential to significantly influence clinical decision-making and thus therapy planning and follow-up workflow. After image acquisition, image preprocessing, and defining regions of interest by structure segmentation, algorithms are applied to calculate shape, intensity, texture, and multiscale filter features. By combining multiple features and correlating them with clinical outcome, prognostic models can be created. Retrospective studies have proposed radiomics classifiers predicting, e. g., overall survival, radiation treatment response, distant metastases, or radiation-related toxicity. Besides, radiomics features can be correlated with genomic information ("radiogenomics") and could be used for tumor characterization. Distinct patterns based on data-based as well as genomics-based features will influence radiation oncology in the future. Individualized treatments in terms of dose level adaption and target volume definition, as well as other outcome-related parameters will depend on radiomics and radiogenomics. By integration of various datasets, the prognostic power can be increased making radiomics a valuable part of future precision medicine approaches. This perspective demonstrates the evidence for the radiomics concept in radiation oncology. The necessity of further studies to integrate radiomics classifiers into clinical decision-making and the radiation therapy workflow is emphasized.

Bifunctional redox tagging of carbon nanoparticles

NASA Astrophysics Data System (ADS)

Poon, Jeffrey; Batchelor-McAuley, Christopher; Tschulik, Kristina; Palgrave, Robert G.; Compton, Richard G.

2015-01-01

Despite extensive work on the controlled surface modification of carbon with redox moieties, to date almost all available methodologies involve complex chemistry and are prone to the formation of polymerized multi-layer surface structures. Herein, the facile bifunctional redox tagging of carbon nanoparticles (diameter 27 nm) and its characterization is undertaken using the industrial dye Reactive Blue 2. The modification route is demonstrated to be via exceptionally strong physisorption. The modified carbon is found to exhibit both well-defined oxidative and reductive voltammetric redox features which are quantitatively interpreted. The method provides a generic approach to monolayer modifications of carbon and carbon nanoparticle surfaces.

Signatures of DNA target selectivity by ETS transcription factors

PubMed Central

Kim, Hye Mi

2017-01-01

ABSTRACT The ETS family of transcription factors is a functionally heterogeneous group of gene regulators that share a structurally conserved, eponymous DNA-binding domain. DNA target specificity derives from combinatorial interactions with other proteins as well as intrinsic heterogeneity among ETS domains. Emerging evidence suggests molecular hydration as a fundamental feature that defines the intrinsic heterogeneity in DNA target selection and susceptibility to epigenetic DNA modification. This perspective invokes novel hypotheses in the regulation of ETS proteins in physiologic osmotic stress, their pioneering potential in heterochromatin, and the effects of passive and pharmacologic DNA demethylation on ETS regulation. PMID:28301293

Signatures of DNA target selectivity by ETS transcription factors.

PubMed

Poon, Gregory M K; Kim, Hye Mi

2017-05-27

The ETS family of transcription factors is a functionally heterogeneous group of gene regulators that share a structurally conserved, eponymous DNA-binding domain. DNA target specificity derives from combinatorial interactions with other proteins as well as intrinsic heterogeneity among ETS domains. Emerging evidence suggests molecular hydration as a fundamental feature that defines the intrinsic heterogeneity in DNA target selection and susceptibility to epigenetic DNA modification. This perspective invokes novel hypotheses in the regulation of ETS proteins in physiologic osmotic stress, their pioneering potential in heterochromatin, and the effects of passive and pharmacologic DNA demethylation on ETS regulation.

Defining the conserved internal architecture of a protein kinase.

PubMed

Kornev, Alexandr P; Taylor, Susan S

2010-03-01

Protein kinases constitute a large protein family of important regulators in all eukaryotic cells. All of the protein kinases have a similar bilobal fold, and their key structural features have been well studied. However, the recent discovery of non-contiguous hydrophobic ensembles inside the protein kinase core shed new light on the internal organization of these molecules. Two hydrophobic "spines" traverse both lobes of the protein kinase molecule, providing a firm but flexible connection between its key elements. The spine model introduces a useful framework for analysis of intramolecular communications, molecular dynamics, and drug design. Published by Elsevier B.V.

The current status of research on the structure of evaluative space

PubMed Central

Norris, Catherine J.; Gollan, Jackie; Berntson, Gary G.; Cacioppo, John T.

2009-01-01

The structure of evaluative space shapes emotional life. Although behavior may be constrained to a single bipolar dimension, for example as defined by the opposing movements of approach and withdrawal, the mechanisms underlying the affect system must be capable of an astonishing range of emotional experience and expression. The model of evaluative space (ESM; J. T. Cacioppo, W. L. Gardner, & G. G. Berntson, 1997, 1999) proposes that behavioral predispositions are the ultimate output of the affect system, which is defined by operating characteristics that differ both for positivity and negativity, as well as across levels of the nervous system. In this article, we outline the current status of theory and research on the structure of evaluative space. First, we summarize the basic tenets of the model, as well as recent research supporting these ideas and counterarguments that have been raised by other theorists. To address these counterarguments, we discuss the postulates of affective oscillation and calibration, two mechanistic features of the affect system proposed to underlie the durability and adaptability of affect. We summarize empirical support for the functional consequences of the principles of affective oscillation and calibration, with a focus on how oscillation and the “stickiness” of affect can lead to the emergence of ambivalence, whereas affective calibration and the flexibility of the affect system produce asymmetries in affective processing (e.g., the negativity bias). Finally, we consider the clinical implications of disorder in the structure of evaluative space for the comprehension and treatment of depression and anxiety. PMID:20346389

Controllable Switching Filaments Prepared via Tunable and Well-Defined Single Truncated Conical Nanopore Structures for Fast and Scalable SiOx Memory.

PubMed

Kwon, Soonbang; Jang, Seonghoon; Choi, Jae-Wan; Choi, Sanghyeon; Jang, Sukjae; Kim, Tae-Wook; Wang, Gunuk

2017-12-13

The controllability of switching conductive filaments is one of the central issues in the development of reliable metal-oxide resistive memory because the random dynamic nature and formation of the filaments pose an obstacle to desirable switching performance. Here, we introduce a simple and novel approach to control and form a single silicon nanocrystal (Si-NC) filament for use in SiO x memory devices. The filament is formed with a confined vertical nanoscale gap by using a well-defined single vertical truncated conical nanopore (StcNP) structure. The physical dimensions of the Si-NC filaments such as number, size, and length, which have a significant influence on the switching properties, can be simply engineered by the breakdown of an Au wire through different StcNP structures. In particular, we demonstrate that the designed SiO x memory junction with a StcNP of pore depth of ∼75 nm and a bottom diameter of ∼10 nm exhibited a switching speed of up to 6 ns for both set and reset process, significantly faster than reported SiO x memory devices. The device also exhibited a high ON-OFF ratio, multistate storage ability, acceptable endurance, and retention stability. The influence of the physical dimensions of the StcNP on the switching features is discussed based on the simulated temperature profiles of the Au wire and the nanogap size generated inside the StcNP structure during electromigration.

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

Malashkevich, Vladimir N.; Higgins, Chelsea D.; Almo, Steven C.

The coiled-coil is one of the most ubiquitous and well studied protein structural motifs. Significant effort has been devoted to dissecting subtle variations of the typical heptad repeat sequence pattern that can designate larger topological features such as relative α-helical orientation and oligomer size. Here in this paper we report the X-ray structure of a model coiled-coil peptide, HA2-Del-L2seM, which forms an unanticipated core antiparallel dimer with potential sites for discrete higher-order multimerization (trimer or tetramer). In the X-ray structure, a third, partially-ordered α-helix is weakly associated with the antiparallel dimer and analytical ultracentrifugation experiments indicate the peptide forms amore » well-defined tetramer in solution. The HA2-Del-L2seM sequence is closely related to a parent model peptide, HA2-Del, which we previously reported adopts a parallel trimer; HA2-Del-L2seM differs by only hydrophobic leucine to selenomethione mutations and thus this subtle difference is sufficient to switch both relative α-helical topology and number of α-helices participating in the coiled-coil. Comparison of the X-ray structures of HA2-Del-L2seM (reported here) with the HA2-Del parent (reported previously) reveals novel interactions involving the selenomethionine residues that promote antiparallel coiled-coil configuration and preclude parallel trimer formation. Finally, these novel atomic insights are instructive for understanding subtle features that can affect coiled-coil topology and provide additional information for design of antiparallel coiled-coils.« less

Predicting film genres with implicit ideals.

PubMed

Olney, Andrew McGregor

2012-01-01

We present a new approach to defining film genre based on implicit ideals. When viewers rate the likability of a film, they indirectly express their ideal of what a film should be. Across six studies we investigate the category structure that emerges from likability ratings and the category structure that emerges from the features of film. We further compare these data-driven category structures with human annotated film genres. We conclude that film genres are structured more around ideals than around features of film. This finding lends experimental support to the notion that film genres are set of shifting, fuzzy, and highly contextualized psychological categories.

The AP1000{sup R} nuclear power plant innovative features for extended station blackout mitigation

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

Vereb, F.; Winters, J.; Schulz, T.

2012-07-01

Station Blackout (SBO) is defined as 'a condition wherein a nuclear power plant sustains a loss of all offsite electric power system concurrent with turbine trip and unavailability of all onsite emergency alternating current (AC) power system. Station blackout does not include the loss of available AC power to buses fed by station batteries through inverters or by alternate AC sources as defined in this section, nor does it assume a concurrent single failure or design basis accident...' in accordance with Reference 1. In this paper, the innovative features of the AP1000 plant design are described with their operation inmore » the scenario of an extended station blackout event. General operation of the passive safety systems are described as well as the unique features which allow the AP1000 plant to cope for at least 7 days during station blackout. Points of emphasis will include: - Passive safety system operation during SBO - 'Fail-safe' nature of key passive safety system valves; automatically places the valve in a conservatively safe alignment even in case of multiple failures in all power supply systems, including normal AC and battery backup - Passive Spent Fuel Pool cooling and makeup water supply during SBO - Robustness of AP1000 plant due to the location of key systems, structures and components required for Safe Shutdown - Diverse means of supplying makeup water to the Passive Containment Cooling System (PCS) and the Spent Fuel Pool (SFP) through use of an engineered, safety-related piping interface and portable equipment, as well as with permanently installed onsite ancillary equipment. (authors)« less

A Review of the Structural Characteristics of Family Meals with Children in the United States12

PubMed Central

McCullough, Mary Beth; Robson, Shannon M; Stark, Lori J

2016-01-01

Family meals are associated with a range of positive outcomes among children and adolescents. There is inconsistency, however, in the way in which studies have defined and measured family meals. Therefore, a systematic review of the literature was conducted to determine how studies describe family meals with the use of structural characteristics. The current review focused on studies in the United States that included children ages 2–18 y. A total of 33 studies were identified that characterized family meals with the use of ≥1 of the following structural features: frequency or mean number of family meals per week, length of family meal, people present at meal, and where meals occurred. No study characterized family meals by using all 4 family meal features, whereas most studies (81%) characterized family meals by using frequency or mean number of meals per week. Findings not only provide an initial understanding of the structural features used to define family meals but also point to the importance of developing a more comprehensive, sensitive assessment that can accurately capture the complex and multidimensional nature of family meals. PMID:27422500

A Review of the Structural Characteristics of Family Meals with Children in the United States.

PubMed

McCullough, Mary Beth; Robson, Shannon M; Stark, Lori J

2016-07-01

Family meals are associated with a range of positive outcomes among children and adolescents. There is inconsistency, however, in the way in which studies have defined and measured family meals. Therefore, a systematic review of the literature was conducted to determine how studies describe family meals with the use of structural characteristics. The current review focused on studies in the United States that included children ages 2-18 y. A total of 33 studies were identified that characterized family meals with the use of ≥1 of the following structural features: frequency or mean number of family meals per week, length of family meal, people present at meal, and where meals occurred. No study characterized family meals by using all 4 family meal features, whereas most studies (81%) characterized family meals by using frequency or mean number of meals per week. Findings not only provide an initial understanding of the structural features used to define family meals but also point to the importance of developing a more comprehensive, sensitive assessment that can accurately capture the complex and multidimensional nature of family meals. © 2016 American Society for Nutrition.

Synthetic biodegradable functional polymers for tissue engineering: a brief review.

PubMed

BaoLin, Guo; Ma, Peter X

2014-04-01

Scaffolds play a crucial role in tissue engineering. Biodegradable polymers with great processing flexibility are the predominant scaffolding materials. Synthetic biodegradable polymers with well-defined structure and without immunological concerns associated with naturally derived polymers are widely used in tissue engineering. The synthetic biodegradable polymers that are widely used in tissue engineering, including polyesters, polyanhydrides, polyphosphazenes, polyurethane, and poly (glycerol sebacate) are summarized in this article. New developments in conducting polymers, photoresponsive polymers, amino-acid-based polymers, enzymatically degradable polymers, and peptide-activated polymers are also discussed. In addition to chemical functionalization, the scaffold designs that mimic the nano and micro features of the extracellular matrix (ECM) are presented as well, and composite and nanocomposite scaffolds are also reviewed.

Structure-activity studies and therapeutic potential of host defense peptides of human thrombin.

PubMed

Kasetty, Gopinath; Papareddy, Praveen; Kalle, Martina; Rydengård, Victoria; Mörgelin, Matthias; Albiger, Barbara; Malmsten, Martin; Schmidtchen, Artur

2011-06-01

Peptides of the C-terminal region of human thrombin are released upon proteolysis and identified in human wounds. In this study, we wanted to investigate minimal determinants, as well as structural features, governing the antimicrobial and immunomodulating activity of this peptide region. Sequential amino acid deletions of the peptide GKYGFYTHVFRLKKWIQKVIDQFGE (GKY25), as well as substitutions at strategic and structurally relevant positions, were followed by analyses of antimicrobial activity against the Gram-negative bacteria Escherichia coli and Pseudomonas aeruginosa, the Gram-positive bacterium Staphylococcus aureus, and the fungus Candida albicans. Furthermore, peptide effects on lipopolysaccharide (LPS)-, lipoteichoic acid-, or zymosan-induced macrophage activation were studied. The thrombin-derived peptides displayed length- and sequence-dependent antimicrobial as well as immunomodulating effects. A peptide length of at least 20 amino acids was required for effective anti-inflammatory effects in macrophage models, as well as optimal antimicrobial activity as judged by MIC assays. However, shorter (>12 amino acids) variants also displayed significant antimicrobial effects. A central K14 residue was important for optimal antimicrobial activity. Finally, one peptide variant, GKYGFYTHVFRLKKWIQKVI (GKY20) exhibiting improved selectivity, i.e., low toxicity and a preserved antimicrobial as well as anti-inflammatory effect, showed efficiency in mouse models of LPS shock and P. aeruginosa sepsis. The work defines structure-activity relationships of C-terminal host defense peptides of thrombin and delineates a strategy for selecting peptide epitopes of therapeutic interest.

Improving the Performance of the Structure-Based Connectionist Network for Diagnosis of Helicopter Gearboxes

NASA Technical Reports Server (NTRS)

Jammu, Vinay B.; Danai, Koroush; Lewicki, David G.

1996-01-01

A diagnostic method is introduced for helicopter gearboxes that uses knowledge of the gear-box structure and characteristics of the 'features' of vibration to define the influences of faults on features. The 'structural influences' in this method are defined based on the root mean square value of vibration obtained from a simplified lumped-mass model of the gearbox. The structural influences are then converted to fuzzy variables, to account for the approximate nature of the lumped-mass model, and used as the weights of a connectionist network. Diagnosis in this Structure-Based Connectionist Network (SBCN) is performed by propagating the abnormal vibration features through the weights of SBCN to obtain fault possibility values for each component in the gearbox. Upon occurrence of misdiagnoses, the SBCN also has the ability to improve its diagnostic performance. For this, a supervised training method is presented which adapts the weights of SBCN to minimize the number of misdiagnoses. For experimental evaluation of the SBCN, vibration data from a OH-58A helicopter gearbox collected at NASA Lewis Research Center is used. Diagnostic results indicate that the SBCN is able to diagnose about 80% of the faults without training, and is able to improve its performance to nearly 100% after training.

Automatic detection of erythemato-squamous diseases using k-means clustering.

PubMed

Ubeyli, Elif Derya; Doğdu, Erdoğan

2010-04-01

A new approach based on the implementation of k-means clustering is presented for automated detection of erythemato-squamous diseases. The purpose of clustering techniques is to find a structure for the given data by finding similarities between data according to data characteristics. The studied domain contained records of patients with known diagnosis. The k-means clustering algorithm's task was to classify the data points, in this case the patients with attribute data, to one of the five clusters. The algorithm was used to detect the five erythemato-squamous diseases when 33 features defining five disease indications were used. The purpose is to determine an optimum classification scheme for this problem. The present research demonstrated that the features well represent the erythemato-squamous diseases and the k-means clustering algorithm's task achieved high classification accuracies for only five erythemato-squamous diseases.

Ducting arrangement for cooling a gas turbine structure

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

Lee, Ching-Pang; Morrison, Jay A.

2015-07-21

A ducting arrangement (10) for a can annular gas turbine engine, including: a duct (12, 14) disposed between a combustor (16) and a first row of turbine blades and defining a hot gas path (30) therein, the duct (12, 14) having raised geometric features (54) incorporated into an outer surface (80); and a flow sleeve (72) defining a cooling flow path (84) between an inner surface (78) of the flow sleeve (72) and the duct outer surface (80). After a cooling fluid (86) traverses a relatively upstream raised geometric feature (90), the inner surface (78) of the flow sleeve (72)more » is effective to direct the cooling fluid (86) toward a landing (94) separating the relatively upstream raised geometric feature (90) from a relatively downstream raised geometric feature (94).« less

A Systematic Framework and Nanoperiodic Concept for Unifying Nanoscience: Hard/Soft Nanoelements, Superatoms, Meta-Atoms, New Emerging Properties, Periodic Property Patterns, and Predictive Mendeleev-like Nanoperiodic Tables.

PubMed

Tomalia, Donald A; Khanna, Shiv N

2016-02-24

Development of a central paradigm is undoubtedly the single most influential force responsible for advancing Dalton's 19th century atomic/molecular chemistry concepts to the current maturity enjoyed by traditional chemistry. A similar central dogma for guiding and unifying nanoscience has been missing. This review traces the origins, evolution, and current status of such a critical nanoperiodic concept/framework for defining and unifying nanoscience. Based on parallel efforts and a mutual consensus now shared by both chemists and physicists, a nanoperiodic/systematic framework concept has emerged. This concept is based on the well-documented existence of discrete, nanoscale collections of traditional inorganic/organic atoms referred to as hard and soft superatoms (i.e., nanoelement categories). These nanometric entities are widely recognized to exhibit nanoscale atom mimicry features reminiscent of traditional picoscale atoms. All unique superatom/nanoelement physicochemical features are derived from quantized structural control defined by six critical nanoscale design parameters (CNDPs), namely, size, shape, surface chemistry, flexibility/rigidity, architecture, and elemental composition. These CNDPs determine all intrinsic superatom properties, their combining behavior to form stoichiometric nanocompounds/assemblies as well as to exhibit nanoperiodic properties leading to new nanoperiodic rules and predictive Mendeleev-like nanoperiodic tables, and they portend possible extension of these principles to larger quantized building blocks including meta-atoms.

A model of cloud application assignments in software-defined storages

NASA Astrophysics Data System (ADS)

Bolodurina, Irina P.; Parfenov, Denis I.; Polezhaev, Petr N.; E Shukhman, Alexander

2017-01-01

The aim of this study is to analyze the structure and mechanisms of interaction of typical cloud applications and to suggest the approaches to optimize their placement in storage systems. In this paper, we describe a generalized model of cloud applications including the three basic layers: a model of application, a model of service, and a model of resource. The distinctive feature of the model suggested implies analyzing cloud resources from the user point of view and from the point of view of a software-defined infrastructure of the virtual data center (DC). The innovation character of this model is in describing at the same time the application data placements, as well as the state of the virtual environment, taking into account the network topology. The model of software-defined storage has been developed as a submodel within the resource model. This model allows implementing the algorithm for control of cloud application assignments in software-defined storages. Experimental researches returned this algorithm decreases in cloud application response time and performance growth in user request processes. The use of software-defined data storages allows the decrease in the number of physical store devices, which demonstrates the efficiency of our algorithm.

Breast cancer - one term, many entities?

PubMed

Bertos, Nicholas R; Park, Morag

2011-10-01

Breast cancer, rather than constituting a monolithic entity, comprises heterogeneous tumors with different clinical characteristics, disease courses, and responses to specific treatments. Tumor-intrinsic features, including classical histological and immunopathological classifications as well as more recently described molecular subtypes, separate breast tumors into multiple groups. Tumor-extrinsic features, including microenvironmental configuration, also have prognostic significance and further expand the list of tumor-defining variables. A better understanding of the features underlying heterogeneity, as well as of the mechanisms and consequences of their interactions, is essential to improve targeting of existing therapies and to develop novel agents addressing specific combinations of features.

Femtosecond laser fluence based nanostructuring of W and Mo in ethanol

NASA Astrophysics Data System (ADS)

Bashir, Shazia; Rafique, Muhammad Shahid; Nathala, Chandra Sekher; Ajami, Ali Asghar; Husinsky, Wolfgang

2017-05-01

The effect of femtosecond laser fluence on nanostructuring of Tungsten (W) and Molybdenum (Mo) has been investigated after ablation in ethanol environment. A Ti: Sapphire laser (800 nm, 30 fs) at fluences ranging from 0.6 to 5.7 J cm-2 was employed to ablate targets. The growth of structures on the surface of irradiated targets is investigated by Field Emission Scanning Electron Microscope (FESEM) analysis. The SEM was performed for both central as well as the peripheral ablated regions. It is observed that both the development and shape of nanoscale features is dependent upon deposited energies to the target surface as well as nature of material. Nanostructures grown on Mo are more distinct and well defined as compared to W. At central ablated areas of W, unorganized Laser Induced Periodic Surface Structures (LIPSS) are grown at low fluences, whereas, nonuniform melting along with cracking is observed at higher fluences. In case of Mo, well-defined and organized LIPSS are observed for low fluences. With increasing fluence, LIPSS become unorganized and broken with an appearance of cracks and are completely vanished with the formation of nanoscale cavities and conical structures. In case of peripheral ablated areas broken and bifurcated LIPSS are grown for all fluences for both materials. The, ablated diameter, ablation depth, ablation rate and the dependence of periodicity of LIPSS on the laser fluence are also estimated for both W and Mo. Parametric instabilities of laser-induced plasma along with generation and scattering of surface plasmons is considered as a possible cause for the formation of LIPSS. For ethanol assisted ablation, the role of bubble cavitation, precipitation, confinement and the convective flow is considered to be responsible for inducing increased hydrodynamic instabilities at the liquid-solid interface.

Self-Assembly of Heterogeneously Charged Particles under Confinement

PubMed Central

2013-01-01

Self-assembly—the spontaneous organization of microscopic units into well-defined mesoscopic structures—is a fundamental mechanism for a broad variety of nanotechnology applications in material science. The central role played by the anisotropy resulting from asymmetric shapes of the units and/or well-defined bonding sites on the particle surface has been widely investigated, highlighting the importance of properly designing the constituent entities in order to control the resulting mesoscopic structures. Anisotropy driven self-assembly can also result from the multipolar interactions characterizing many naturally occurring systems, such as proteins and viral capsids, as well as experimentally synthesized colloidal particles. Heterogeneously charged particles represent a class of multipolar units that are characterized by a competitive interplay between anisotropic attractive and repulsive interactions, due to the repulsion/attraction between charged-like/oppositely charged regions on the particle surface. In the present work, axially symmetric quadrupolar colloids are considered in a confined planar geometry; the role of both the overall particle charge and the patch extension as well as the effect of the substrate charge are studied in thermodynamic conditions such that the formation of extended structures is favored. A general tendency to form quasi-two-dimensional aggregates where particles align their symmetry axes within the plane is observed; among these planar self-assembled scenarios, a clear distinction between the formation of microcrystalline gels—branched networks consisting of purely crystalline domains—as opposed to disordered aggregates can be observed based on the specific features of the particle–particle interaction. Additionally, the possible competition of interparticle and particle–substrate interactions affects the size and the internal structure of the aggregates and can possibly inhibit the aggregation process. PMID:23627740

Image processing tool for automatic feature recognition and quantification

DOEpatents

Chen, Xing; Stoddard, Ryan J.

2017-05-02

A system for defining structures within an image is described. The system includes reading of an input file, preprocessing the input file while preserving metadata such as scale information and then detecting features of the input file. In one version the detection first uses an edge detector followed by identification of features using a Hough transform. The output of the process is identified elements within the image.

Selective host molecules obtained by dynamic adaptive chemistry.

PubMed

Matache, Mihaela; Bogdan, Elena; Hădade, Niculina D

2014-02-17

Up till 20 years ago, in order to endow molecules with function there were two mainstream lines of thought. One was to rationally design the positioning of chemical functionalities within candidate molecules, followed by an iterative synthesis-optimization process. The second was the use of a "brutal force" approach of combinatorial chemistry coupled with advanced screening for function. Although both methods provided important results, "rational design" often resulted in time-consuming efforts of modeling and synthesis only to find that the candidate molecule was not performing the designed job. "Combinatorial chemistry" suffered from a fundamental limitation related to the focusing of the libraries employed, often using lead compounds that limit its scope. Dynamic constitutional chemistry has developed as a combination of the two approaches above. Through the rational use of reversible chemical bonds together with a large plethora of precursor libraries, one is now able to build functional structures, ranging from quite simple molecules up to large polymeric structures. Thus, by introduction of the dynamic component within the molecular recognition processes, a new perspective of deciphering the world of the molecular events has aroused together with a new field of chemistry. Since its birth dynamic constitutional chemistry has continuously gained attention, in particular due to its ability to easily create from scratch outstanding molecular structures as well as the addition of adaptive features. The fundamental concepts defining the dynamic constitutional chemistry have been continuously extended to currently place it at the intersection between the supramolecular chemistry and newly defined adaptive chemistry, a pivotal feature towards evolutive chemistry. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural and phylogenetic analysis of Rhodobacter capsulatus NifF: uncovering general features of nitrogen-fixation (nif)-flavodoxins.

PubMed

Pérez-Dorado, Inmaculada; Bortolotti, Ana; Cortez, Néstor; Hermoso, Juan A

2013-01-09

Analysis of the crystal structure of NifF from Rhodobacter capsulatus and its homologues reported so far reflects the existence of unique structural features in nif flavodoxins: a leucine at the re face of the isoalloxazine, an eight-residue insertion at the C-terminus of the 50's loop and a remarkable difference in the electrostatic potential surface with respect to non-nif flavodoxins. A phylogenetic study on 64 sequences from 52 bacterial species revealed four clusters, including different functional prototypes, correlating the previously defined as "short-chain" with the firmicutes flavodoxins and the "long-chain" with gram-negative species. The comparison of Rhodobacter NifF structure with other bacterial flavodoxin prototypes discloses the concurrence of specific features of these functional electron donors to nitrogenase.

The structure of the casein micelle of milk and its changes during processing.

PubMed

Dalgleish, Douglas G; Corredig, Milena

2012-01-01

The majority of the protein in cow's milk is contained in the particles known as casein micelles. This review describes the main structural features of these particles and the different models that have been used to define the interior structures. The reactions of the micelles during processing operations are described in terms of the structural models.

Formal Language Design in the Context of Domain Engineering

DTIC Science & Technology

2000-03-28

73 Related Work 75 5.1 Feature oriented domain analysis ( FODA ) 75 5.2 Organizational domain modeling (ODM) 76 5.3 Domain-Specific Software...However there are only a few that are well defined and used repeatedly in practice. These include: Feature oriented domain analysis ( FODA ), Organizational...Feature oriented domain analysis ( FODA ) Feature oriented domain analysis ( FODA ) is a domain analysis method being researched and applied by the SEI

Identification of conserved lipid/detergent-binding sites in a high-resolution structure of the membrane protein cytochrome c oxidase

PubMed Central

Qin, Ling; Hiser, Carrie; Mulichak, Anne; Garavito, R. Michael; Ferguson-Miller, Shelagh

2006-01-01

Well ordered reproducible crystals of cytochrome c oxidase (CcO) from Rhodobacter sphaeroides yield a previously unreported structure at 2.0 Å resolution that contains the two catalytic subunits and a number of alkyl chains of lipids and detergents. Comparison with crystal structures of other bacterial and mammalian CcOs reveals that the positions occupied by native membrane lipids and detergent substitutes are highly conserved, along with amino acid residues in their vicinity, suggesting a more prevalent and specific role of lipid in membrane protein structure than often envisioned. Well defined detergent head groups (maltose) are found associated with aromatic residues in a manner similar to phospholipid head groups, likely contributing to the success of alkyl glycoside detergents in supporting membrane protein activity and crystallizability. Other significant features of this structure include the following: finding of a previously unreported crystal contact mediated by cadmium and an engineered histidine tag; documentation of the unique His–Tyr covalent linkage close to the active site; remarkable conservation of a chain of waters in one proton pathway (D-path); and discovery of an inhibitory cadmium-binding site at the entrance to another proton path (K-path). These observations provide important insight into CcO structure and mechanism, as well as the significance of bound lipid in membrane proteins. PMID:17050688

Flourishing Across Europe: Application of a New Conceptual Framework for Defining Well-Being.

PubMed

Huppert, Felicia A; So, Timothy T C

2013-02-01

Governments around the world are recognising the importance of measuring subjective well-being as an indicator of progress. But how should well-being be measured? A conceptual framework is offered which equates high well-being with positive mental health. Well-being is seen as lying at the opposite end of a spectrum to the common mental disorders (depression, anxiety). By examining internationally agreed criteria for depression and anxiety (DSM and ICD classifications), and defining the opposite of each symptom, we identify ten features of positive well-being. These combine feeling and functioning, i.e. hedonic and eudaimonic aspects of well-being: competence, emotional stability, engagement, meaning, optimism, positive emotion, positive relationships, resilience, self esteem, and vitality. An operational definition of flourishing is developed, based on psychometric analysis of indicators of these ten features, using data from a representative sample of 43,000 Europeans. Application of this definition to respondents from the 23 countries which participated in the European Social Survey (Round 3) reveals a four-fold difference in flourishing rate, from 41% in Denmark to less than 10% in Slovakia, Russia and Portugal. There are also striking differences in country profiles across the 10 features. These profiles offer fresh insight into cultural differences in well-being, and indicate which features may provide the most promising targets for policies to improve well-being. Comparison with a life satisfaction measure shows that valuable information would be lost if well-being was measured by life satisfaction. Taken together, our findings reinforce the need to measure subjective well-being as a multi-dimensional construct in future surveys.

Development of a methodology for structured reporting of information in echocardiography.

PubMed

Homorodean, Călin; Olinic, Maria; Olinic, Dan

2012-03-01

In order to conduct research relying on ultrasound images, it is necessary to access a large number of relevant cases represented by images and their interpretation. DICOM standard defines the structured reporting information object. Templates are tree-like structures which offer structural guidance in report construction. Laying the foundations of a structured reporting methodology in echocardiography, through the generation of a consistent set of DICOM templates. We developed an information system with the ability of managing echocardiographic images and structured reports. In order to perform a complete description of the cardiac structures, we used 1900 coded concepts organized into 344 contexts by their semantic meaning in a variety of cardiac diseases. We developed 30 templates, with up to 10 nesting levels. The list of templates has a pyramid-like architecture. Two templates are used for reporting every measurement and description: "EchoMeasurement" and "EchoDescription". Intermediate level templates specify how to report the features of echoDoppler findings: "Spectral Curve", "Color Jet", "Intracardiac mass". Templates for every cardiovascular structure include the previous ones. "Echocardiography Procedure Report" includes all other templates. The templates were tested in reporting echo features of 100 patients by analyzing 500 DICOM images. The benefits of these templates has been proven during the testing process, through the quality of the echocardiography report, the ability to argue and to link every diagnostic feature to a defining image and by opening up opportunities for education, research. In the future, our template-based reporting methodology might be extended to other imaging modalities.

Evolution of salt and hydrocarbon migration: Sweet Lake area, Cameron Parish, Louisiana

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

Spencer, J.A.; Sharpe, C.L.

The interpretation of seismic, gravity, and well data in northern Cameron Parish, Louisiana suggest that lateral salt flow has influenced the area`s structural evolution, depositional patterns, and hydrocarbon migration. Sweet Lake Field has produced over 46 MMBO and 15 BCFG from Middle Miocene deltaic sands. The structural closure is a downthrown anticline on a fault controlled by the underlying salt feature. Sweet Lake Field overlies an allochthonous salt mass that was probably once part of an ancestral salt ridge extending from Hackberry to Big Lake fields. Nine wells encountering top of salt and several seismic lines define a detached saltmore » feature underlying over twenty square miles at depths from 8500-18,000 ft. Salt withdrawal in the East Hackberry-Big Lake area influenced the depositional patterns of the Oligocene lower Hackberry channel systems. Progradation of thick Middle Oligocene Camerina (A) and Miogypsinoides sands into the area caused salt thinning and withdrawal resulting in the development and orientation of the large Marginulina-Miogypsinoides growth fault northwest of Sweet Lake. Additional evidence for the southeast trend of the salt is a well approximately two miles southeast of Sweet Lake which encountered salt at approximately 19,800 ft. High quality 2-D and 3-D seismic data will continue to enhance the regional understanding of the evolving salt structures in the onshore Gulf Coast and the local understanding of hydrocarbon migration. Additional examples of lateral salt flow will be recognized and some may prove to have subsalt hydrocarbon potential.« less

Physics of protein folding

NASA Astrophysics Data System (ADS)

Finkelstein, A. V.; Galzitskaya, O. V.

2004-04-01

Protein physics is grounded on three fundamental experimental facts: protein, this long heteropolymer, has a well defined compact three-dimensional structure; this structure can spontaneously arise from the unfolded protein chain in appropriate environment; and this structure is separated from the unfolded state of the chain by the “all-or-none” phase transition, which ensures robustness of protein structure and therefore of its action. The aim of this review is to consider modern understanding of physical principles of self-organization of protein structures and to overview such important features of this process, as finding out the unique protein structure among zillions alternatives, nucleation of the folding process and metastable folding intermediates. Towards this end we will consider the main experimental facts and simple, mostly phenomenological theoretical models. We will concentrate on relatively small (single-domain) water-soluble globular proteins (whose structure and especially folding are much better studied and understood than those of large or membrane and fibrous proteins) and consider kinetic and structural aspects of transition of initially unfolded protein chains into their final solid (“native”) 3D structures.

Automated Inference of Chemical Discriminants of Biological Activity.

PubMed

Raschka, Sebastian; Scott, Anne M; Huertas, Mar; Li, Weiming; Kuhn, Leslie A

2018-01-01

Ligand-based virtual screening has become a standard technique for the efficient discovery of bioactive small molecules. Following assays to determine the activity of compounds selected by virtual screening, or other approaches in which dozens to thousands of molecules have been tested, machine learning techniques make it straightforward to discover the patterns of chemical groups that correlate with the desired biological activity. Defining the chemical features that generate activity can be used to guide the selection of molecules for subsequent rounds of screening and assaying, as well as help design new, more active molecules for organic synthesis.The quantitative structure-activity relationship machine learning protocols we describe here, using decision trees, random forests, and sequential feature selection, take as input the chemical structure of a single, known active small molecule (e.g., an inhibitor, agonist, or substrate) for comparison with the structure of each tested molecule. Knowledge of the atomic structure of the protein target and its interactions with the active compound are not required. These protocols can be modified and applied to any data set that consists of a series of measured structural, chemical, or other features for each tested molecule, along with the experimentally measured value of the response variable you would like to predict or optimize for your project, for instance, inhibitory activity in a biological assay or ΔG binding . To illustrate the use of different machine learning algorithms, we step through the analysis of a dataset of inhibitor candidates from virtual screening that were tested recently for their ability to inhibit GPCR-mediated signaling in a vertebrate.

Operator for object recognition and scene analysis by estimation of set occupancy with noisy and incomplete data sets

NASA Astrophysics Data System (ADS)

Rees, S. J.; Jones, Bryan F.

1992-11-01

Once feature extraction has occurred in a processed image, the recognition problem becomes one of defining a set of features which maps sufficiently well onto one of the defined shape/object models to permit a claimed recognition. This process is usually handled by aggregating features until a large enough weighting is obtained to claim membership, or an adequate number of located features are matched to the reference set. A requirement has existed for an operator or measure capable of a more direct assessment of membership/occupancy between feature sets, particularly where the feature sets may be defective representations. Such feature set errors may be caused by noise, by overlapping of objects, and by partial obscuration of features. These problems occur at the point of acquisition: repairing the data would then assume a priori knowledge of the solution. The technique described in this paper offers a set theoretical measure for partial occupancy defined in terms of the set of minimum additions to permit full occupancy and the set of locations of occupancy if such additions are made. As is shown, this technique permits recognition of partial feature sets with quantifiable degrees of uncertainty. A solution to the problems of obscuration and overlapping is therefore available.

Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer.

PubMed

Davie, Stuart J; Di Pasquale, Nicodemo; Popelier, Paul L A

2016-10-15

Machine learning algorithms have been demonstrated to predict atomistic properties approaching the accuracy of quantum chemical calculations at significantly less computational cost. Difficulties arise, however, when attempting to apply these techniques to large systems, or systems possessing excessive conformational freedom. In this article, the machine learning method kriging is applied to predict both the intra-atomic and interatomic energies, as well as the electrostatic multipole moments, of the atoms of a water molecule at the center of a 10 water molecule (decamer) cluster. Unlike previous work, where the properties of small water clusters were predicted using a molecular local frame, and where training set inputs (features) were based on atomic index, a variety of feature definitions and coordinate frames are considered here to increase prediction accuracy. It is shown that, for a water molecule at the center of a decamer, no single method of defining features or coordinate schemes is optimal for every property. However, explicitly accounting for the structure of the first solvation shell in the definition of the features of the kriging training set, and centring the coordinate frame on the atom-of-interest will, in general, return better predictions than models that apply the standard methods of feature definition, or a molecular coordinate frame. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc. © 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.

Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles

DOE PAGES

Timoshenko, Janis; Lu, Deyu; Lin, Yuewei; ...

2017-09-29

Tracking the structure of heterogeneous catalysts under operando conditions remains a challenge due to the paucity of experimental techniques that can provide atomic-level information for catalytic metal species. Here we report on the use of X-ray absorption near edge structure (XANES) spectroscopy and supervised machine learning (SML) for refining the three-dimensional geometry of metal catalysts. SML is used to unravel the hidden relationship between the XANES features and catalyst geometry. To train our SML method, we rely on ab-initio XANES simulations. Our approach allows one to solve the structure of a metal catalyst from its experimental XANES, as demonstrated heremore » by reconstructing the average size, shape and morphology of well-defined platinum nanoparticles. This method is applicable to the determination of the nanoparticle structure in operando studies and can be generalized to other nanoscale systems. In conclusion, it also allows on-the-fly XANES analysis, and is a promising approach for high-throughput and time-dependent studies.« less

Three-dimensional structure and multistable optical switching of triple-twisted particle-like excitations in anisotropic fluids.

PubMed

Smalyukh, Ivan I; Lansac, Yves; Clark, Noel A; Trivedi, Rahul P

2010-02-01

Control of structures in soft materials with long-range order forms the basis for applications such as displays, liquid-crystal biosensors, tunable lenses, distributed feedback lasers, muscle-like actuators and beam-steering devices. Bistable, tristable and multistable switching of well-defined structures of molecular alignment is of special interest for all of these applications. Here we describe the facile optical creation and multistable switching of localized configurations in the molecular orientation field of a chiral nematic anisotropic fluid. These localized chiro-elastic particle-like excitations--dubbed 'triple-twist torons'--are generated by vortex laser beams and embed the localized three-dimensional (3D) twist into a uniform background. Confocal polarizing microscopy and computer simulations reveal their equilibrium internal structures, manifesting both skyrmion-like and Hopf fibration features. Robust generation of torons at predetermined locations combined with both optical and electrical reversible switching can lead to new ways of multistable structuring of complex photonic architectures in soft materials.

Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles

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

Timoshenko, Janis; Lu, Deyu; Lin, Yuewei

Tracking the structure of heterogeneous catalysts under operando conditions remains a challenge due to the paucity of experimental techniques that can provide atomic-level information for catalytic metal species. Here we report on the use of X-ray absorption near edge structure (XANES) spectroscopy and supervised machine learning (SML) for refining the three-dimensional geometry of metal catalysts. SML is used to unravel the hidden relationship between the XANES features and catalyst geometry. To train our SML method, we rely on ab-initio XANES simulations. Our approach allows one to solve the structure of a metal catalyst from its experimental XANES, as demonstrated heremore » by reconstructing the average size, shape and morphology of well-defined platinum nanoparticles. This method is applicable to the determination of the nanoparticle structure in operando studies and can be generalized to other nanoscale systems. In conclusion, it also allows on-the-fly XANES analysis, and is a promising approach for high-throughput and time-dependent studies.« less

Ultrahigh resolution drug design I: details of interactions in human aldose reductase-inhibitor complex at 0.66 A.

PubMed

Howard, E I; Sanishvili, R; Cachau, R E; Mitschler, A; Chevrier, B; Barth, P; Lamour, V; Van Zandt, M; Sibley, E; Bon, C; Moras, D; Schneider, T R; Joachimiak, A; Podjarny, A

2004-06-01

The first subatomic resolution structure of a 36 kDa protein [aldose reductase (AR)] is presented. AR was cocrystallized at pH 5.0 with its cofactor NADP+ and inhibitor IDD 594, a therapeutic candidate for the treatment of diabetic complications. X-ray diffraction data were collected up to 0.62 A resolution and treated up to 0.66 A resolution. Anisotropic refinement followed by a blocked matrix inversion produced low standard deviations (<0.005 A). The model was very well ordered overall (CA atoms' mean B factor is 5.5 A2). The model and the electron-density maps revealed fine features, such as H-atoms, bond densities, and significant deviations from standard stereochemistry. Other features, such as networks of hydrogen bonds (H bonds), a large number of multiple conformations, and solvent structure were also better defined. Most of the atoms in the active site region were extremely well ordered (mean B approximately 3 A2), leading to the identification of the protonation states of the residues involved in catalysis. The electrostatic interactions of the inhibitor's charged carboxylate head with the catalytic residues and the charged coenzyme NADP+ explained the inhibitor's noncompetitive character. Furthermore, a short contact involving the IDD 594 bromine atom explained the selectivity profile of the inhibitor, important feature to avoid toxic effects. The presented structure and the details revealed are instrumental for better understanding of the inhibition mechanism of AR by IDD 594, and hence, for the rational drug design of future inhibitors. This work demonstrates the capabilities of subatomic resolution experiments and stimulates further developments of methods allowing the use of the full potential of these experiments. Copyright 2004 Wiley-Liss, Inc.

A computer model for the 30S ribosome subunit.

PubMed Central

Kuntz, I D; Crippen, G M

1980-01-01

We describe a computer-generated model for the locations of the 21 proteins of the 30S subunit of the E. coli ribosome. The model uses a new method of incorporating experimental measurements based on a mathematical technique called distance geometry. In this paper, we use data from two sources: immunoelectron microscopy and neutron-scattering studies. The data are generally self-consistent and lead to a set of relatively well-defined structures in which individual protein coordinates differ by approximately 20 A from one structure to another. Two important features of this calculation are the use of extended proteins rather than just the centers of mass, and the ability to confine the protein locations within an arbitrary boundary surface so that only solutions with an approximate 30S "shape" are permitted. PMID:7020786

The standard operating procedure of the DOE-JGI Metagenome Annotation Pipeline (MAP v.4)

DOE PAGES

Huntemann, Marcel; Ivanova, Natalia N.; Mavromatis, Konstantinos; ...

2016-02-24

The DOE-JGI Metagenome Annotation Pipeline (MAP v.4) performs structural and functional annotation for metagenomic sequences that are submitted to the Integrated Microbial Genomes with Microbiomes (IMG/M) system for comparative analysis. The pipeline runs on nucleotide sequences provide d via the IMG submission site. Users must first define their analysis projects in GOLD and then submit the associated sequence datasets consisting of scaffolds/contigs with optional coverage information and/or unassembled reads in fasta and fastq file formats. The MAP processing consists of feature prediction including identification of protein-coding genes, non-coding RNAs and regulatory RNAs, as well as CRISPR elements. Structural annotation ismore » followed by functional annotation including assignment of protein product names and connection to various protein family databases.« less

The standard operating procedure of the DOE-JGI Metagenome Annotation Pipeline (MAP v.4)

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

Huntemann, Marcel; Ivanova, Natalia N.; Mavromatis, Konstantinos

The DOE-JGI Metagenome Annotation Pipeline (MAP v.4) performs structural and functional annotation for metagenomic sequences that are submitted to the Integrated Microbial Genomes with Microbiomes (IMG/M) system for comparative analysis. The pipeline runs on nucleotide sequences provide d via the IMG submission site. Users must first define their analysis projects in GOLD and then submit the associated sequence datasets consisting of scaffolds/contigs with optional coverage information and/or unassembled reads in fasta and fastq file formats. The MAP processing consists of feature prediction including identification of protein-coding genes, non-coding RNAs and regulatory RNAs, as well as CRISPR elements. Structural annotation ismore » followed by functional annotation including assignment of protein product names and connection to various protein family databases.« less

Two-dimensional protein crystals (S-layers): fundamentals and applications.

PubMed

Sleytr, U B; Sára, M; Messner, P; Pum, D

1994-10-01

Two-dimensional crystalline surface layers (S-layers) composed of protein or glycoprotein subunits are one of the most commonly observed prokaryotic cell envelope structures. Isolated S-layer subunits are endowed with the ability to assemble into monomolecular arrays in suspension, on surfaces or interfaces by an entropy-driven process. S-layer lattices are isoporous structures with functional groups located on the surface in an identical position and orientation. These characteristic features have already led to applications of S-layers as (1) ultrafiltration membranes with well-defined molecular weight cut-offs and excellent antifouling characteristics, (2) immobilization matrices for functional molecules as required for affinity and enzyme membranes, affinity microcarriers and biosensors, (3) conjugate vaccines, (4) carriers for Langmuir-Blodgett films and reconstituted biological membranes, and (5) patterning elements in molecular nanotechnology.

Chemically Active, Porous 3D-Printed Thermoplastic Composites.

PubMed

Evans, Kent A; Kennedy, Zachary C; Arey, Bruce W; Christ, Josef F; Schaef, Herbert T; Nune, Satish K; Erikson, Rebecca L

2018-05-02

Metal-organic frameworks (MOFs) exhibit exceptional properties and are widely investigated because of their structural and functional versatility relevant to catalysis, separations, and sensing applications. However, their commercial or large-scale application is often limited by their powder forms which make integration into devices challenging. Here, we report the production of MOF-thermoplastic polymer composites in well-defined and customizable forms and with complex internal structural features accessed via a standard three-dimensional (3D) printer. MOFs (zeolitic imidazolate framework; ZIF-8) were incorporated homogeneously into both poly(lactic acid) (PLA) and thermoplastic polyurethane (TPU) matrices at high loadings (up to 50% by mass), extruded into filaments, and utilized for on-demand access to 3D structures by fused deposition modeling. Printed, rigid PLA/MOF composites display a large surface area (SA avg = 531 m 2 g -1 ) and hierarchical pore features, whereas flexible TPU/MOF composites achieve a high surface area (SA avg = 706 m 2 g -1 ) by employing a simple method developed to expose obstructed micropores postprinting. Critically, embedded particles in the plastic matrices retain their ability to participate in chemical interactions characteristic of the parent framework. The fabrication strategies were extended to other MOFs and illustrate the potential of 3D printing to create unique porous and high surface area chemically active structures.

Structure Of The Core Of The Southern Vortex On Venus: VMC And VIRTIS Observations From Venus Express

NASA Astrophysics Data System (ADS)

Limaye, Sanjay; Baines, K. H.; Markiewicz, W.; Piccione, G.; Titov, D.; VMC Team; VIRTIS Team

2007-10-01

In April 2007, a special observational campaign was conducted from Venus Express using the high data rate transmissions available through a NASA DSN to obtain a movie of the South pole region of Venus. Previously, the VIRTIS observations showed a remarkable view of the hemispheric vortex centered roughly over the South pole with a well defined "S” shape structure within the core region. Concurrent ultraviolet (cloud top) and near infrared observations ( 50 km level) available from Venus Express enable us to examine the vertical structure in greater detail than possible before. Tracking of cloud features in the ultraviolet and near infrared data have been used to determine the horizontal flow at two levels. These results suggest that the horizontal (still dominantly zonal) flow in polar regions does not have large meridional shear. The morphology of the features seen in ultraviolet and near infrared data suggests that the core region does not rotate as a rigid cylinder, but exhibits twisting in the vertical. These observations provide us an insight into the structure of the global vortex circulation in the atmosphere of Venus, first detected in 1974 from Mariner 10 images. This research was supported by NASA Grant NNG06GC68G.

Defining and predicting structurally conserved regions in protein superfamilies

PubMed Central

Huang, Ivan K.; Grishin, Nick V.

2013-01-01

Motivation: The structures of homologous proteins are generally better conserved than their sequences. This phenomenon is demonstrated by the prevalence of structurally conserved regions (SCRs) even in highly divergent protein families. Defining SCRs requires the comparison of two or more homologous structures and is affected by their availability and divergence, and our ability to deduce structurally equivalent positions among them. In the absence of multiple homologous structures, it is necessary to predict SCRs of a protein using information from only a set of homologous sequences and (if available) a single structure. Accurate SCR predictions can benefit homology modelling and sequence alignment. Results: Using pairwise DaliLite alignments among a set of homologous structures, we devised a simple measure of structural conservation, termed structural conservation index (SCI). SCI was used to distinguish SCRs from non-SCRs. A database of SCRs was compiled from 386 SCOP superfamilies containing 6489 protein domains. Artificial neural networks were then trained to predict SCRs with various features deduced from a single structure and homologous sequences. Assessment of the predictions via a 5-fold cross-validation method revealed that predictions based on features derived from a single structure perform similarly to ones based on homologous sequences, while combining sequence and structural features was optimal in terms of accuracy (0.755) and Matthews correlation coefficient (0.476). These results suggest that even without information from multiple structures, it is still possible to effectively predict SCRs for a protein. Finally, inspection of the structures with the worst predictions pinpoints difficulties in SCR definitions. Availability: The SCR database and the prediction server can be found at http://prodata.swmed.edu/SCR. Contact: 91huangi@gmail.com or grishin@chop.swmed.edu Supplementary information: Supplementary data are available at Bioinformatics Online PMID:23193223

Predicting Film Genres with Implicit Ideals

PubMed Central

Olney, Andrew McGregor

2013-01-01

We present a new approach to defining film genre based on implicit ideals. When viewers rate the likability of a film, they indirectly express their ideal of what a film should be. Across six studies we investigate the category structure that emerges from likability ratings and the category structure that emerges from the features of film. We further compare these data-driven category structures with human annotated film genres. We conclude that film genres are structured more around ideals than around features of film. This finding lends experimental support to the notion that film genres are set of shifting, fuzzy, and highly contextualized psychological categories. PMID:23423823

Multiscale Feature Analysis of Salivary Gland Branching Morphogenesis

PubMed Central

Baydil, Banu; Daley, William P.; Larsen, Melinda; Yener, Bülent

2012-01-01

Pattern formation in developing tissues involves dynamic spatio-temporal changes in cellular organization and subsequent evolution of functional adult structures. Branching morphogenesis is a developmental mechanism by which patterns are generated in many developing organs, which is controlled by underlying molecular pathways. Understanding the relationship between molecular signaling, cellular behavior and resulting morphological change requires quantification and categorization of the cellular behavior. In this study, tissue-level and cellular changes in developing salivary gland in response to disruption of ROCK-mediated signaling by are modeled by building cell-graphs to compute mathematical features capturing structural properties at multiple scales. These features were used to generate multiscale cell-graph signatures of untreated and ROCK signaling disrupted salivary gland organ explants. From confocal images of mouse submandibular salivary gland organ explants in which epithelial and mesenchymal nuclei were marked, a multiscale feature set capturing global structural properties, local structural properties, spectral, and morphological properties of the tissues was derived. Six feature selection algorithms and multiway modeling of the data was performed to identify distinct subsets of cell graph features that can uniquely classify and differentiate between different cell populations. Multiscale cell-graph analysis was most effective in classification of the tissue state. Cellular and tissue organization, as defined by a multiscale subset of cell-graph features, are both quantitatively distinct in epithelial and mesenchymal cell types both in the presence and absence of ROCK inhibitors. Whereas tensor analysis demonstrate that epithelial tissue was affected the most by inhibition of ROCK signaling, significant multiscale changes in mesenchymal tissue organization were identified with this analysis that were not identified in previous biological studies. We here show how to define and calculate a multiscale feature set as an effective computational approach to identify and quantify changes at multiple biological scales and to distinguish between different states in developing tissues. PMID:22403724

Digital surfaces and thicknesses of selected hydrogeologic units of the Floridan aquifer system in Florida and parts of Georgia, Alabama, and South Carolina

USGS Publications Warehouse

Williams, Lester J.; Dixon, Joann F.

2015-01-01

Digital surfaces and thicknesses of selected hydrogeologic units of the Floridan aquifer system were developed to define an updated hydrogeologic framework as part of the U.S. Geological Survey Groundwater Resources Program. The dataset contains structural surfaces depicting the top and base of the aquifer system, its major and minor hydrogeologic units and zones, geophysical marker horizons, and the altitude of the 10,000-milligram-per-liter total dissolved solids boundary that defines the approximate fresh and saline parts of the aquifer system. The thicknesses of selected major and minor units or zones were determined by interpolating points of known thickness or from raster surface subtraction of the structural surfaces. Additional data contained include clipping polygons; regional polygon features that represent geologic or hydrogeologic aspects of the aquifers and the minor units or zones; data points used in the interpolation; and polygon and line features that represent faults, boundaries, and other features in the aquifer system.

Congruent population structure inferred from dispersal behaviour and intensive genetic surveys of the threatened Florida scrub-jay (Aphelocoma cœrulescens)

USGS Publications Warehouse

Coulon, A.; Fitzpatrick, J.W.; Bowman, R.; Stith, B.M.; Makarewich, C.A.; Stenzler, L.M.; Lovette, I.J.

2008-01-01

The delimitation of populations, defined as groups of individuals linked by gene flow, is possible by the analysis of genetic markers and also by spatial models based on dispersal probabilities across a landscape. We combined these two complimentary methods to define the spatial pattern of genetic structure among remaining populations of the threatened Florida scrub-jay, a species for which dispersal ability is unusually well-characterized. The range-wide population was intensively censused in the 1990s, and a metapopulation model defined population boundaries based on predicted dispersal-mediated demographic connectivity. We subjected genotypes from more than 1000 individual jays screened at 20 microsatellite loci to two Bayesian clustering methods. We describe a consensus method for identifying common features across many replicated clustering runs. Ten genetically differentiated groups exist across the present-day range of the Florida scrub-jay. These groups are largely consistent with the dispersal-defined metapopulations, which assume very limited dispersal ability. Some genetic groups comprise more than one metapopulation, likely because these genetically similar metapopulations were sundered only recently by habitat alteration. The combined reconstructions of population structure based on genetics and dispersal-mediated demographic connectivity provide a robust depiction of the current genetic and demographic organization of this species, reflecting past and present levels of dispersal among occupied habitat patches. The differentiation of populations into 10 genetic groups adds urgency to management efforts aimed at preserving what remains of genetic variation in this dwindling species, by maintaining viable populations of all genetically differentiated and geographically isolated populations.

OpenCL based machine learning labeling of biomedical datasets

NASA Astrophysics Data System (ADS)

Amoros, Oscar; Escalera, Sergio; Puig, Anna

2011-03-01

In this paper, we propose a two-stage labeling method of large biomedical datasets through a parallel approach in a single GPU. Diagnostic methods, structures volume measurements, and visualization systems are of major importance for surgery planning, intra-operative imaging and image-guided surgery. In all cases, to provide an automatic and interactive method to label or to tag different structures contained into input data becomes imperative. Several approaches to label or segment biomedical datasets has been proposed to discriminate different anatomical structures in an output tagged dataset. Among existing methods, supervised learning methods for segmentation have been devised to easily analyze biomedical datasets by a non-expert user. However, they still have some problems concerning practical application, such as slow learning and testing speeds. In addition, recent technological developments have led to widespread availability of multi-core CPUs and GPUs, as well as new software languages, such as NVIDIA's CUDA and OpenCL, allowing to apply parallel programming paradigms in conventional personal computers. Adaboost classifier is one of the most widely applied methods for labeling in the Machine Learning community. In a first stage, Adaboost trains a binary classifier from a set of pre-labeled samples described by a set of features. This binary classifier is defined as a weighted combination of weak classifiers. Each weak classifier is a simple decision function estimated on a single feature value. Then, at the testing stage, each weak classifier is independently applied on the features of a set of unlabeled samples. In this work, we propose an alternative representation of the Adaboost binary classifier. We use this proposed representation to define a new GPU-based parallelized Adaboost testing stage using OpenCL. We provide numerical experiments based on large available data sets and we compare our results to CPU-based strategies in terms of time and labeling speeds.

GIRAF: a method for fast search and flexible alignment of ligand binding interfaces in proteins at atomic resolution

PubMed Central

Kinjo, Akira R.; Nakamura, Haruki

2012-01-01

Comparison and classification of protein structures are fundamental means to understand protein functions. Due to the computational difficulty and the ever-increasing amount of structural data, however, it is in general not feasible to perform exhaustive all-against-all structure comparisons necessary for comprehensive classifications. To efficiently handle such situations, we have previously proposed a method, now called GIRAF. We herein describe further improvements in the GIRAF protein structure search and alignment method. The GIRAF method achieves extremely efficient search of similar structures of ligand binding sites of proteins by exploiting database indexing of structural features of local coordinate frames. In addition, it produces refined atom-wise alignments by iterative applications of the Hungarian method to the bipartite graph defined for a pair of superimposed structures. By combining the refined alignments based on different local coordinate frames, it is made possible to align structures involving domain movements. We provide detailed accounts for the database design, the search and alignment algorithms as well as some benchmark results. PMID:27493524

Crystal Phase Quantum Well Emission with Digital Control.

PubMed

Assali, S; Lähnemann, J; Vu, T T T; Jöns, K D; Gagliano, L; Verheijen, M A; Akopian, N; Bakkers, E P A M; Haverkort, J E M

2017-10-11

One of the major challenges in the growth of quantum well and quantum dot heterostructures is the realization of atomically sharp interfaces. Nanowires provide a new opportunity to engineer the band structure as they facilitate the controlled switching of the crystal structure between the zinc-blende (ZB) and wurtzite (WZ) phases. Such a crystal phase switching results in the formation of crystal phase quantum wells (CPQWs) and quantum dots (CPQDs). For GaP CPQWs, the inherent electric fields due to the discontinuity of the spontaneous polarization at the WZ/ZB junctions lead to the confinement of both types of charge carriers at the opposite interfaces of the WZ/ZB/WZ structure. This confinement leads to a novel type of transition across a ZB flat plate barrier. Here, we show digital tuning of the visible emission of WZ/ZB/WZ CPQWs in a GaP nanowire by changing the thickness of the ZB barrier. The energy spacing between the sharp emission lines is uniform and is defined by the addition of single ZB monolayers. The controlled growth of identical quantum wells with atomically flat interfaces at predefined positions featuring digitally tunable discrete emission energies may provide a new route to further advance entangled photons in solid state quantum systems.

Stable aqueous based Cu nanoparticle ink for printing well-defined highly conductive features on a plastic substrate.

PubMed

Jeong, Sunho; Song, Hae Chun; Lee, Won Woo; Lee, Sun Sook; Choi, Youngmin; Son, Wonil; Kim, Eui Duk; Paik, Choon Hoon; Oh, Seok Heon; Ryu, Beyong-Hwan

2011-03-15

With the aim of inkjet printing highly conductive and well-defined Cu features on plastic substrates, aqueous based Cu ink is prepared for the first time using water-soluble Cu nanoparticles with a very thin surface oxide layer. Owing to the specific properties, high surface tension and low boiling point, of water, the aqueous based Cu ink endows a variety of advantages over conventional Cu inks based on organic solvents in printing narrow conductive patterns without irregular morphologies. It is demonstrated how the design of aqueous based ink affects the basic properties of printed conductive features such as surface morphology, microstructure, conductivity, and line width. The long-term stability of aqueous based Cu ink against oxidation is analyzed through an X-ray photoelectron spectroscopy (XPS) based investigation on the evolution of the surface oxide layer in the aqueous based ink.

Evaluating molecular cobalt complexes for the conversion of N2 to NH3.

PubMed

Del Castillo, Trevor J; Thompson, Niklas B; Suess, Daniel L M; Ung, Gaël; Peters, Jonas C

2015-10-05

Well-defined molecular catalysts for the reduction of N2 to NH3 with protons and electrons remain very rare despite decades of interest and are currently limited to systems featuring molybdenum or iron. This report details the synthesis of a molecular cobalt complex that generates superstoichiometric yields of NH3 (>200% NH3 per Co-N2 precursor) via the direct reduction of N2 with protons and electrons. While the NH3 yields reported herein are modest by comparison to those of previously described iron and molybdenum systems, they intimate that other metals are likely to be viable as molecular N2 reduction catalysts. Additionally, a comparison of the featured tris(phosphine)borane Co-N2 complex with structurally related Co-N2 and Fe-N2 species shows how remarkably sensitive the N2 reduction performance of potential precatalysts is. These studies enable consideration of the structural and electronic effects that are likely relevant to N2 conversion activity, including the π basicity, charge state, and geometric flexibility.

AgRISTARS. Supporting research: Algorithms for scene modelling

NASA Technical Reports Server (NTRS)

Rassbach, M. E. (Principal Investigator)

1982-01-01

The requirements for a comprehensive analysis of LANDSAT or other visual data scenes are defined. The development of a general model of a scene and a computer algorithm for finding the particular model for a given scene is discussed. The modelling system includes a boundary analysis subsystem, which detects all the boundaries and lines in the image and builds a boundary graph; a continuous variation analysis subsystem, which finds gradual variations not well approximated by a boundary structure; and a miscellaneous features analysis, which includes texture, line parallelism, etc. The noise reduction capabilities of this method and its use in image rectification and registration are discussed.

Breast fibromatosis associated with breast implants.

PubMed

Seo, Yoon Nae; Park, Young Mi; Yoon, Hye Kyoung; Lee, Sun Joo; Choo, Hye Jung; Ryu, Ji Hwa

2015-09-01

Fibromatosis refers to an extra-abdominal desmoid tumor or aggressive fibromatosis. Breast fibromatosis can develop in association with the capsule around a breast implant, although reports of cases of fibromatosis associated with breast implants are rare. As the demand for breast augmentation has increased, it is important to understand the diseases associated with breast implants. In the present report, we describe a case of breast fibromatosis that developed adjacent to a breast implant and demonstrated a relatively well-defined border even though it invaded the surrounding structures. We also explore the specific imaging features for diagnosing breast fibromatosis in association with implants by reviewing previous literature.

Optimization techniques applied to spectrum management for communications satellites

NASA Astrophysics Data System (ADS)

Ottey, H. R.; Sullivan, T. M.; Zusman, F. S.

This paper describes user requirements, algorithms and software design features for the application of optimization techniques to the management of the geostationary orbit/spectrum resource. Relevant problems include parameter sensitivity analyses, frequency and orbit position assignment coordination, and orbit position allotment planning. It is shown how integer and nonlinear programming as well as heuristic search techniques can be used to solve these problems. Formalized mathematical objective functions that define the problems are presented. Constraint functions that impart the necessary solution bounds are described. A versatile program structure is outlined, which would allow problems to be solved in stages while varying the problem space, solution resolution, objective function and constraints.

Indoors and health: results of a systematic literature review assessing the potential health effects of living in basements.

PubMed

Mezzoiuso, Angelo Giosué; Gola, Marco; Rebecchi, Andrea; Riccò, Matteo; Capolongo, Stefano; Buffoli, Maddalena; Tirani, Marcello; Odone, Anna; Signorelli, Carlo

2017-10-23

A new law approved in March 2017 in the Lombardy Region makes it possible to live in basements. Basements are defined as buildings partly below curb level but with at least one-half of its height above the curb. Basements' features and structural characteristics might pose risks to human health. In this paper we adopt a multidisciplinary approach to assess the potential health effects of living in basements. In particular, we define a conceptual framework to describe basements' structural characteristics which are risk factors, as well as the mechanisms through which they impact on human health. We also conduct a systematic review on the scientific databases PubMed,Embase, DOAJ, Proquest and EBSCO to retrieve, pool and critically analyze all available research that quantified the risk of living in basements for different health outcomes. Available evidence suggests living in basements increases the risk of respiratory diseases (asthma and allergic disorders); more heterogeneous data are available for cancers and cardiovascular diseases. As more quantitative data need to be prospectively retrieved to assess and monitor the risk of living in basements for human health, clear minimum requirements for light, air, sanitation and egress are to be defined by technical experts and enforced by policy makers.

Segmentation of Written Words in French

ERIC Educational Resources Information Center

Chetail, Fabienne; Content, Alain

2013-01-01

Syllabification of spoken words has been largely used to define syllabic properties of written words, such as the number of syllables or syllabic boundaries. By contrast, some authors proposed that the functional structure of written words stems from visuo-orthographic features rather than from the transposition of phonological structure into the…

Site-Specific Colloidal Crystal Nucleation by Template-enhanced Particle Transport

NASA Astrophysics Data System (ADS)

Mishra, Chandan K.; Sood, A. K.; Ganapathy, Rajesh

The deliberate positioning of nano- and microstructures on surfaces is often a prerequisite for fabricating functional devices. While template-assisted nucleation is a promising route to self-assemble these structures, its success hinges on particles reaching target sites prior to nucleation and for nano/microscale particles, this is hampered by their small surface mobilities. We tailored surface features, which in the presence of attractive depletion interactions not only directed micrometer-sized colloids to specific sites but also subsequently guided their growth into ordered crystalline arrays of well-defined size and symmetry. By following the nucleation kinetics with single-particle resolution, we demonstrate control over nucleation density in a growth regime that has hitherto remained inaccessible. Our findings pave the way towards realizing non-trivial surface architectures composed of complex colloids/nanoparticles as well.

Models and algorithm of optimization launch and deployment of virtual network functions in the virtual data center

NASA Astrophysics Data System (ADS)

Bolodurina, I. P.; Parfenov, D. I.

2017-10-01

The goal of our investigation is optimization of network work in virtual data center. The advantage of modern infrastructure virtualization lies in the possibility to use software-defined networks. However, the existing optimization of algorithmic solutions does not take into account specific features working with multiple classes of virtual network functions. The current paper describes models characterizing the basic structures of object of virtual data center. They including: a level distribution model of software-defined infrastructure virtual data center, a generalized model of a virtual network function, a neural network model of the identification of virtual network functions. We also developed an efficient algorithm for the optimization technology of containerization of virtual network functions in virtual data center. We propose an efficient algorithm for placing virtual network functions. In our investigation we also generalize the well renowned heuristic and deterministic algorithms of Karmakar-Karp.

Metrics for comparing neuronal tree shapes based on persistent homology.

PubMed

Li, Yanjie; Wang, Dingkang; Ascoli, Giorgio A; Mitra, Partha; Wang, Yusu

2017-01-01

As more and more neuroanatomical data are made available through efforts such as NeuroMorpho.Org and FlyCircuit.org, the need to develop computational tools to facilitate automatic knowledge discovery from such large datasets becomes more urgent. One fundamental question is how best to compare neuron structures, for instance to organize and classify large collection of neurons. We aim to develop a flexible yet powerful framework to support comparison and classification of large collection of neuron structures efficiently. Specifically we propose to use a topological persistence-based feature vectorization framework. Existing methods to vectorize a neuron (i.e, convert a neuron to a feature vector so as to support efficient comparison and/or searching) typically rely on statistics or summaries of morphometric information, such as the average or maximum local torque angle or partition asymmetry. These simple summaries have limited power in encoding global tree structures. Based on the concept of topological persistence recently developed in the field of computational topology, we vectorize each neuron structure into a simple yet informative summary. In particular, each type of information of interest can be represented as a descriptor function defined on the neuron tree, which is then mapped to a simple persistence-signature. Our framework can encode both local and global tree structure, as well as other information of interest (electrophysiological or dynamical measures), by considering multiple descriptor functions on the neuron. The resulting persistence-based signature is potentially more informative than simple statistical summaries (such as average/mean/max) of morphometric quantities-Indeed, we show that using a certain descriptor function will give a persistence-based signature containing strictly more information than the classical Sholl analysis. At the same time, our framework retains the efficiency associated with treating neurons as points in a simple Euclidean feature space, which would be important for constructing efficient searching or indexing structures over them. We present preliminary experimental results to demonstrate the effectiveness of our persistence-based neuronal feature vectorization framework.

Metrics for comparing neuronal tree shapes based on persistent homology

PubMed Central

Li, Yanjie; Wang, Dingkang; Ascoli, Giorgio A.; Mitra, Partha

2017-01-01

As more and more neuroanatomical data are made available through efforts such as NeuroMorpho.Org and FlyCircuit.org, the need to develop computational tools to facilitate automatic knowledge discovery from such large datasets becomes more urgent. One fundamental question is how best to compare neuron structures, for instance to organize and classify large collection of neurons. We aim to develop a flexible yet powerful framework to support comparison and classification of large collection of neuron structures efficiently. Specifically we propose to use a topological persistence-based feature vectorization framework. Existing methods to vectorize a neuron (i.e, convert a neuron to a feature vector so as to support efficient comparison and/or searching) typically rely on statistics or summaries of morphometric information, such as the average or maximum local torque angle or partition asymmetry. These simple summaries have limited power in encoding global tree structures. Based on the concept of topological persistence recently developed in the field of computational topology, we vectorize each neuron structure into a simple yet informative summary. In particular, each type of information of interest can be represented as a descriptor function defined on the neuron tree, which is then mapped to a simple persistence-signature. Our framework can encode both local and global tree structure, as well as other information of interest (electrophysiological or dynamical measures), by considering multiple descriptor functions on the neuron. The resulting persistence-based signature is potentially more informative than simple statistical summaries (such as average/mean/max) of morphometric quantities—Indeed, we show that using a certain descriptor function will give a persistence-based signature containing strictly more information than the classical Sholl analysis. At the same time, our framework retains the efficiency associated with treating neurons as points in a simple Euclidean feature space, which would be important for constructing efficient searching or indexing structures over them. We present preliminary experimental results to demonstrate the effectiveness of our persistence-based neuronal feature vectorization framework. PMID:28809960

Hydrologic connectivity: Quantitative assessments of hydrologic-enforced drainage structures in an elevation model

USGS Publications Warehouse

Poppenga, Sandra K.; Worstell, Bruce B.

2016-01-01

Elevation data derived from light detection and ranging present challenges for hydrologic modeling as the elevation surface includes bridge decks and elevated road features overlaying culvert drainage structures. In reality, water is carried through these structures; however, in the elevation surface these features impede modeled overland surface flow. Thus, a hydrologically-enforced elevation surface is needed for hydrodynamic modeling. In the Delaware River Basin, hydrologic-enforcement techniques were used to modify elevations to simulate how constructed drainage structures allow overland surface flow. By calculating residuals between unfilled and filled elevation surfaces, artificially pooled depressions that formed upstream of constructed drainage structure features were defined, and elevation values were adjusted by generating transects at the location of the drainage structures. An assessment of each hydrologically-enforced drainage structure was conducted using field-surveyed culvert and bridge coordinates obtained from numerous public agencies, but it was discovered the disparate drainage structure datasets were not comprehensive enough to assess all remotely located depressions in need of hydrologic-enforcement. Alternatively, orthoimagery was interpreted to define drainage structures near each depression, and these locations were used as reference points for a quantitative hydrologic-enforcement assessment. The orthoimagery-interpreted reference points resulted in a larger corresponding sample size than the assessment between hydrologic-enforced transects and field-surveyed data. This assessment demonstrates the viability of rules-based hydrologic-enforcement that is needed to achieve hydrologic connectivity, which is valuable for hydrodynamic models in sensitive coastal regions. Hydrologic-enforced elevation data are also essential for merging with topographic/bathymetric elevation data that extend over vulnerable urbanized areas and dynamic coastal regions.

Academic Language in Early Childhood Classrooms

ERIC Educational Resources Information Center

Barnes, Erica M.; Grifenhagen, Jill F.; Dickinson, David K.

2016-01-01

This article defines academic language by examining the central features of vocabulary, syntax, and discourse function. Examples of each feature are provided, as well as methods of identifying them in oral language and printed text. We describe a yearlong study that found teachers used different types of academic language based on instructional…

Self-Assembled Fe-N-Doped Carbon Nanotube Aerogels with Single-Atom Catalyst Feature as High-Efficiency Oxygen Reduction Electrocatalysts

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

Zhu, Chengzhou; Fu, Shaofang; Song, Junhua

Finely controlled synthesis of high active and robust non-precious metal catalysts with excellent electrocatalytic efficiency towards oxygen reduction reaction is extremely vital for successful implementation of fuel cells and metal batteries. Unprecedented oxygen reduction reaction electrocatalytic performances and the diversified synthetic procedure in term of favorable structure/morphology characteristics make transition metals-derived M–N–C (M=Fe, Co) structures the most promising nanocatalysts. Herein, using the nitrogen-containing small molecular and inorganic salt as precursors and ultrathin tellurium nanowires as templates, we successfully synthesized a series of well-defined M-N-doped hollow carbon nanowire aerogels through one step hydrothermal route and subsequent facile annealing treatment. Taking advantagemore » of the porous nanostructures, one-dimensional building block as well as homogeneity of active sites, the resultant Fe-N-doped carbon hollow nanowire aerogels exhibited excellent ORR electrocatalytic performance even better than commercial Pt/C in alkaline solution, holding great potential in fuel cell applications.« less

New tricks for the glycyl radical enzyme family

PubMed Central

Backman, Lindsey R.F.; Funk, Michael A.; Dawson, Christopher D.; Drennan, Catherine. L.

2018-01-01

Glycyl radical enzymes (GREs) are important biological catalysts in both strict and facultative anaerobes, playing key roles both in the human microbiota and in the environment. GREs contain a backbone glycyl radical that is post-translationally installed, enabling radical-based mechanisms. GREs function in several metabolic pathways including mixed acid fermentation, ribonucleotide reduction, and the anaerobic breakdown of the nutrient choline and the pollutant toluene. By generating a substrate-based radical species within the active site, GREs enable C-C, C-O, and C-N bond breaking and formation steps that are otherwise challenging for non-radical enzymes. Identification of previously unknown family members from genomic data and the determination of structures of well-characterized GREs have expanded the scope of GRE-catalyzed reactions as well as defined key features that enable radical catalysis. Here we review the structures and mechanisms of characterized GREs, classifying members into five categories. We consider the open questions about each of the five GRE classes and evaluate the tools available to interrogate uncharacterized GREs. PMID:28901199

Multifunctional nanocomposite hollow fiber membranes by solvent transfer induced phase separation.

PubMed

Haase, Martin F; Jeon, Harim; Hough, Noah; Kim, Jong Hak; Stebe, Kathleen J; Lee, Daeyeon

2017-11-01

The decoration of porous membranes with a dense layer of nanoparticles imparts useful functionality and can enhance membrane separation and anti-fouling properties. However, manufacturing of nanoparticle-coated membranes requires multiple steps and tedious processing. Here, we introduce a facile single-step method in which bicontinuous interfacially jammed emulsions are used to form nanoparticle-functionalized hollow fiber membranes. The resulting nanocomposite membranes prepared via solvent transfer-induced phase separation and photopolymerization have exceptionally high nanoparticle loadings (up to 50 wt% silica nanoparticles) and feature densely packed nanoparticles uniformly distributed over the entire membrane surfaces. These structurally well-defined, asymmetric membranes facilitate control over membrane flux and selectivity, enable the formation of stimuli responsive hydrogel nanocomposite membranes, and can be easily modified to introduce antifouling features. This approach forms a foundation for the formation of advanced nanocomposite membranes comprising diverse building blocks with potential applications in water treatment, industrial separations and as catalytic membrane reactors.

Controlled Folding, Motional, and Constitutional Dynamic Processes of Polyheterocyclic Molecular Strands.

PubMed

Barboiu, Mihail; Stadler, Adrian-Mihail; Lehn, Jean-Marie

2016-03-18

General design principles have been developed for the control of the structural features of polyheterocyclic strands and their effector-modulated shape changes. Induced defined molecular motions permit designed enforcement of helical as well as linear molecular shapes. The ability of such molecular strands to bind metal cations allows the generation of coiling/uncoiling processes between helically folded and extended linear states. Large molecular motions are produced on coordination of metal ions, which may be made reversible by competition with an ancillary complexing agent and fueled by sequential acid/base neutralization energy. The introduction of hydrazone units into the strands confers upon them constitutional dynamics, whereby interconversion between different strand compositions is achieved through component exchange. These features have relevance for nanomechanical devices. We present a morphological and functional analysis of such systems developed in our laboratories. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entropy of network ensembles

NASA Astrophysics Data System (ADS)

Bianconi, Ginestra

2009-03-01

In this paper we generalize the concept of random networks to describe network ensembles with nontrivial features by a statistical mechanics approach. This framework is able to describe undirected and directed network ensembles as well as weighted network ensembles. These networks might have nontrivial community structure or, in the case of networks embedded in a given space, they might have a link probability with a nontrivial dependence on the distance between the nodes. These ensembles are characterized by their entropy, which evaluates the cardinality of networks in the ensemble. In particular, in this paper we define and evaluate the structural entropy, i.e., the entropy of the ensembles of undirected uncorrelated simple networks with given degree sequence. We stress the apparent paradox that scale-free degree distributions are characterized by having small structural entropy while they are so widely encountered in natural, social, and technological complex systems. We propose a solution to the paradox by proving that scale-free degree distributions are the most likely degree distribution with the corresponding value of the structural entropy. Finally, the general framework we present in this paper is able to describe microcanonical ensembles of networks as well as canonical or hidden-variable network ensembles with significant implications for the formulation of network-constructing algorithms.

Revised Multi-Node Well (MNW2) Package for MODFLOW Ground-Water Flow Model

USGS Publications Warehouse

Konikow, Leonard F.; Hornberger, George Z.; Halford, Keith J.; Hanson, Randall T.; Harbaugh, Arlen W.

2009-01-01

Wells that are open to multiple aquifers can provide preferential pathways to flow and solute transport that short-circuit normal fluid flowlines. Representing these features in a regional flow model can produce a more realistic and reliable simulation model. This report describes modifications to the Multi-Node Well (MNW) Package of the U.S. Geological Survey (USGS) three-dimensional ground-water flow model (MODFLOW). The modifications build on a previous version and add several new features, processes, and input and output options. The input structure of the revised MNW (MNW2) is more well-centered than the original verion of MNW (MNW1) and allows the user to easily define hydraulic characteristics of each multi-node well. MNW2 also allows calculations of additional head changes due to partial penetration effects, flow into a borehole through a seepage face, changes in well discharge related to changes in lift for a given pump, and intraborehole flows with a pump intake located at any specified depth within the well. MNW2 also offers an improved capability to simulate nonvertical wells. A new output option allows selected multi-node wells to be designated as 'observation wells' for which changes in selected variables with time will be written to separate output files to facilitate postprocessing. MNW2 is compatible with the MODFLOW-2000 and MODFLOW-2005 versions of MODFLOW and with the version of MODFLOW that includes the Ground-Water Transport process (MODFLOW-GWT).

Atomic force microscopic imaging of Acanthamoeba castellanii and Balamuthia mandrillaris trophozoites and cysts.

PubMed

Aqeel, Yousuf; Siddiqui, Ruqaiyyah; Ateeq, Muhammad; Raza Shah, Muhammad; Kulsoom, Huma; Khan, Naveed Ahmed

2015-01-01

Light microscopy and electron microscopy have been successfully used in the study of microbes, as well as free-living protists. Unlike light microscopy, which enables us to observe living organisms or the electron microscope which provides a two-dimensional image, atomic force microscopy provides a three-dimensional surface profile. Here, we observed two free-living amoebae, Acanthamoeba castellanii and Balamuthia mandrillaris under the phase contrast inverted microscope, transmission electron microscope and atomic force microscope. Although light microscopy was of lower magnification, it revealed functional biology of live amoebae such as motility and osmoregulation using contractile vacuoles of the trophozoite stage, but it is of limited value in defining the cyst stage. In contrast, transmission electron microscopy showed significantly greater magnification and resolution to reveal the ultra-structural features of trophozoites and cysts including intracellular organelles and cyst wall characteristics but it only produced a snapshot in time of a dead amoeba cell. Atomic force microscopy produced three-dimensional images providing detailed topographic description of shape and surface, phase imaging measuring boundary stiffness, and amplitude measurements including width, height and length of A. castellanii and B. mandrillaris trophozoites and cysts. These results demonstrate the importance of the application of various microscopic methods in the biological and structural characterization of the whole cell, ultra-structural features, as well as surface components and cytoskeleton of protist pathogens. © 2014 The Author(s) Journal of Eukaryotic Microbiology © 2014 International Society of Protistologists.

Persistence of urban organic aerosols composition: Decoding their structural complexity and seasonal variability.

PubMed

Matos, João T V; Duarte, Regina M B O; Lopes, Sónia P; Silva, Artur M S; Duarte, Armando C

2017-12-01

Organic Aerosols (OAs) are typically defined as highly complex matrices whose composition changes in time and space. Focusing on time vector, this work uses two-dimensional nuclear magnetic resonance (2D NMR) techniques to examine the structural features of water-soluble (WSOM) and alkaline-soluble organic matter (ASOM) sequentially extracted from fine atmospheric aerosols collected in an urban setting during cold and warm seasons. This study reveals molecular signatures not previously decoded in NMR-related studies of OAs as meaningful source markers. Although the ASOM is less hydrophilic and structurally diverse than its WSOM counterpart, both fractions feature a core with heteroatom-rich branched aliphatics from both primary (natural and anthropogenic) and secondary origin, aromatic secondary organics originated from anthropogenic aromatic precursors, as well as primary saccharides and amino sugar derivatives from biogenic emissions. These common structures represent those 2D NMR spectral signatures that are present in both seasons and can thus be seen as an "annual background" profile of the structural composition of OAs at the urban location. Lignin-derived structures, nitroaromatics, disaccharides, and anhydrosaccharides signatures were also identified in the WSOM samples only from periods identified as smoke impacted, which reflects the influence of biomass-burning sources. The NMR dataset on the H-C molecules backbone was also used to propose a semi-quantitative structural model of urban WSOM, which will aid efforts for more realistic studies relating the chemical properties of OAs with their atmospheric behavior. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ion-implanted Si-nanostructures buried in a SiO{sub 2} substrate studied with soft-x-ray spectroscopy

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

Williams, R.; Rubensson, J.E.; Eisebitt, S.

1997-04-01

In recent years silicon nanostructures have gained great interest because of their optical luminescence, which immediately suggests several applications, e.g., in optoelectronic devices. Nanostructures are also investigated because of the fundamental physics involved in the underlying luminescence mechanism, especially attention has been drawn to the influence of the reduced dimensions on the electronic structure. The forming of stable and well-defined nanostructured materials is one goal of cluster physics. For silicon nanostructures this goal has so far not been reached, but various indirect methods have been established, all having the problem of producing less well defined and/or unstable nanostructures. Ion implantationmore » and subsequent annealing is a promising new technique to overcome some of these difficulties. In this experiment the authors investigate the electronic structure of ion-implanted silicon nanoparticles buried in a stabilizing SiO{sub 2} substrate. Soft X-ray emission (SXE) spectroscopy features the appropriate information depth to investigate such buried structures. SXE spectra to a good approximation map the local partial density of occupied states (LPDOS) in broad band materials like Si. The use of monochromatized synchrotron radiation (MSR) allows for selective excitation of silicon atoms in different chemical environments. Thus, the emission from Si atom sites in the buried structure can be separated from contributions from the SiO{sub 2} substrate. In this preliminary study strong size dependent effects are found, and the electronic structure of the ion-implanted nanoparticles is shown to be qualitatively different from porous silicon. The results can be interpreted in terms of quantum confinement and chemical shifts due to neighboring oxygen atoms at the interface to SiO{sub 2}.« less

Matrix metalloproteinase-10/TIMP-2 structure and analyses define conserved core interactions and diverse exosite interactions in MMP/TIMP complexes.

PubMed

Batra, Jyotica; Soares, Alexei S; Mehner, Christine; Radisky, Evette S

2013-01-01

Matrix metalloproteinases (MMPs) play central roles in vertebrate tissue development, remodeling, and repair. The endogenous tissue inhibitors of metalloproteinases (TIMPs) regulate proteolytic activity by binding tightly to the MMP active site. While each of the four TIMPs can inhibit most MMPs, binding data reveal tremendous heterogeneity in affinities of different TIMP/MMP pairs, and the structural features that differentiate stronger from weaker complexes are poorly understood. Here we report the crystal structure of the comparatively weakly bound human MMP-10/TIMP-2 complex at 2.1 Å resolution. Comparison with previously reported structures of MMP-3/TIMP-1, MT1-MMP/TIMP-2, MMP-13/TIMP-2, and MMP-10/TIMP-1 complexes offers insights into the structural basis of binding selectivity. Our analyses identify a group of highly conserved contacts at the heart of MMP/TIMP complexes that define the conserved mechanism of inhibition, as well as a second category of diverse adventitious contacts at the periphery of the interfaces. The AB loop of the TIMP N-terminal domain and the contact loops of the TIMP C-terminal domain form highly variable peripheral contacts that can be considered as separate exosite interactions. In some complexes these exosite contacts are extensive, while in other complexes the AB loop or C-terminal domain contacts are greatly reduced and appear to contribute little to complex stability. Our data suggest that exosite interactions can enhance MMP/TIMP binding, although in the relatively weakly bound MMP-10/TIMP-2 complex they are not well optimized to do so. Formation of highly variable exosite interactions may provide a general mechanism by which TIMPs are fine-tuned for distinct regulatory roles in biology.

Method for forming suspended micromechanical structures

DOEpatents

Fleming, James G.

2000-01-01

A micromachining method is disclosed for forming a suspended micromechanical structure from {111} crystalline silicon. The micromachining method is based on the use of anisotropic dry etching to define lateral features of the structure which are etched down into a {111}-silicon substrate to a first etch depth, thereby forming sidewalls of the structure. The sidewalls are then coated with a protection layer, and the substrate is dry etched to a second etch depth to define a spacing of the structure from the substrate. A selective anisotropic wet etchant (e.g. KOH, EDP, TMAH, NaOH or CsOH) is used to laterally undercut the structure between the first and second etch depths, thereby forming a substantially planar lower surface of the structure along a {111} crystal plane that is parallel to an upper surface of the structure. The lateral extent of undercutting by the wet etchant is controlled and effectively terminated by either timing the etching, by the location of angled {111}-silicon planes or by the locations of preformed etch-stops. This present method allows the formation of suspended micromechanical structures having large vertical dimensions and large masses while allowing for detailed lateral features which can be provided by dry etch definition. Additionally, the method of the present invention is compatible with the formation of electronic circuitry on the substrate.

An Investigation of Transgressive Deposits in Late Pleistocene Lake Bonneville using GPR and UAV-produced DEMs.

NASA Astrophysics Data System (ADS)

Schide, K.; Jewell, P. W.; Oviatt, C. G.; Jol, H. M.

2015-12-01

Lake Bonneville was the largest of the Pleistocene pluvial lakes that once filled the Great Basin of the interior western United States. Its two most prominent shorelines, Bonneville and Provo, are well documented but many of the lake's intermediate shoreline features have yet to be studied. These transgressive barriers and embankments mark short-term changes in the regional water budget and thus represent a proxy for local climate change. The internal and external structures of these features are analyzed using the following methods: ground penetrating radar, 5 meter auto-correlated DEMs, 1-meter DEMs generated from LiDAR, high-accuracy handheld GPS, and 3D imagery collected with an unmanned aerial vehicle. These methods in mapping, surveying, and imaging provide a quantitative analysis of regional sediment availability, transportation, and deposition as well as changes in wave and wind energy. These controls help define climate thresholds and rates of landscape evolution in the Great Basin during the Pleistocene that are then evaluated in the context of global climate change.

La-related protein 1 (LARP1) repression of TOP mRNA translation is mediated through its cap-binding domain and controlled by an adjacent regulatory region

PubMed Central

Philippe, Lucas; Vasseur, Jean-Jacques; Debart, Françoise

2018-01-01

Abstract Cell growth is a complex process shaped by extensive and coordinated changes in gene expression. Among these is the tightly regulated translation of a family of growth-related mRNAs defined by a 5′ terminal oligopyrimidine (TOP) motif. TOP mRNA translation is partly controlled via the eukaryotic initiation factor 4F (eIF4F), a translation factor that recognizes the mRNA 5′ cap structure. Recent studies have also implicated La-related protein 1 (LARP1), which competes with eIF4F for binding to mRNA 5′ ends. However, it has remained controversial whether LARP1 represses TOP mRNA translation directly and, if so, what features define its mRNA targets. Here, we show that the C-terminal half of LARP1 is necessary and sufficient to control TOP mRNA translation in cells. This fragment contains the DM15 cap-binding domain as well as an adjacent regulatory region that we identified. We further demonstrate that purified LARP1 represses TOP mRNA translation in vitro through the combined recognition of both the TOP sequence and cap structure, and that its intrinsic repressive activity and affinity for these features are subject to regulation. These results support a model whereby the translation of TOP mRNAs is controlled by a growth-regulated competition between eIF4F and LARP1 for their 5′ ends. PMID:29244122

A switch from parallel to antiparallel strand orientation in a coiled-coil X-ray structure via two core hydrophobic mutations

DOE PAGES

Malashkevich, Vladimir N.; Higgins, Chelsea D.; Almo, Steven C.; ...

2015-05-06

The coiled-coil is one of the most ubiquitous and well studied protein structural motifs. Significant effort has been devoted to dissecting subtle variations of the typical heptad repeat sequence pattern that can designate larger topological features such as relative α-helical orientation and oligomer size. Here in this paper we report the X-ray structure of a model coiled-coil peptide, HA2-Del-L2seM, which forms an unanticipated core antiparallel dimer with potential sites for discrete higher-order multimerization (trimer or tetramer). In the X-ray structure, a third, partially-ordered α-helix is weakly associated with the antiparallel dimer and analytical ultracentrifugation experiments indicate the peptide forms amore » well-defined tetramer in solution. The HA2-Del-L2seM sequence is closely related to a parent model peptide, HA2-Del, which we previously reported adopts a parallel trimer; HA2-Del-L2seM differs by only hydrophobic leucine to selenomethione mutations and thus this subtle difference is sufficient to switch both relative α-helical topology and number of α-helices participating in the coiled-coil. Comparison of the X-ray structures of HA2-Del-L2seM (reported here) with the HA2-Del parent (reported previously) reveals novel interactions involving the selenomethionine residues that promote antiparallel coiled-coil configuration and preclude parallel trimer formation. Finally, these novel atomic insights are instructive for understanding subtle features that can affect coiled-coil topology and provide additional information for design of antiparallel coiled-coils.« less

Methods and apparatus for non-acoustic speech characterization and recognition

DOEpatents

Holzrichter, John F.

1999-01-01

By simultaneously recording EM wave reflections and acoustic speech information, the positions and velocities of the speech organs as speech is articulated can be defined for each acoustic speech unit. Well defined time frames and feature vectors describing the speech, to the degree required, can be formed. Such feature vectors can uniquely characterize the speech unit being articulated each time frame. The onset of speech, rejection of external noise, vocalized pitch periods, articulator conditions, accurate timing, the identification of the speaker, acoustic speech unit recognition, and organ mechanical parameters can be determined.

Methods and apparatus for non-acoustic speech characterization and recognition

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

Holzrichter, J.F.

By simultaneously recording EM wave reflections and acoustic speech information, the positions and velocities of the speech organs as speech is articulated can be defined for each acoustic speech unit. Well defined time frames and feature vectors describing the speech, to the degree required, can be formed. Such feature vectors can uniquely characterize the speech unit being articulated each time frame. The onset of speech, rejection of external noise, vocalized pitch periods, articulator conditions, accurate timing, the identification of the speaker, acoustic speech unit recognition, and organ mechanical parameters can be determined.

On the use of colour reflectivity plots to monitor the structure of the troposphere and stratosphere

NASA Technical Reports Server (NTRS)

Rottger, J.; Fu, I. J.; Kuo, F. S.; Liu, C. H.; Chao, J. K.

1986-01-01

The radar reflectivity, defined as the range squared corrected power of VHF radar echoes, can be used to monitor and study the temporal development of inversion layer, frontal boundaries and convective turbulence. From typical featurs of upward or downward motion of reflectivity structures, the advection/convection of cold and warm air can be predicted. High resolution color plots appear to be useful to trace and to study the life history of these structures, particularly their persistency, descent and ascent. These displays allow an immediate determination of the tropopause height as well as the determination of the tropopause structure. The life history of warm fronts, cold fronts, and occlusions can be traced, and these reflectivity plots allow detection of even very weak events which cannot be seen in the traditional meteorological data sets. The life history of convective turbulence, particular evolving from the planetary boundary layer, can be tracked quite easily. Its development into strong convection reaching the middle troposphere can be followed and predicted.

Movement reveals scale dependence in habitat selection of a large ungulate

USGS Publications Warehouse

Northrup, Joseph; Anderson, Charles R.; Hooten, Mevin B.; Wittemyer, George

2016-01-01

Ecological processes operate across temporal and spatial scales. Anthropogenic disturbances impact these processes, but examinations of scale dependence in impacts are infrequent. Such examinations can provide important insight to wildlife–human interactions and guide management efforts to reduce impacts. We assessed spatiotemporal scale dependence in habitat selection of mule deer (Odocoileus hemionus) in the Piceance Basin of Colorado, USA, an area of ongoing natural gas development. We employed a newly developed animal movement method to assess habitat selection across scales defined using animal-centric spatiotemporal definitions ranging from the local (defined from five hour movements) to the broad (defined from weekly movements). We extended our analysis to examine variation in scale dependence between night and day and assess functional responses in habitat selection patterns relative to the density of anthropogenic features. Mule deer displayed scale invariance in the direction of their response to energy development features, avoiding well pads and the areas closest to roads at all scales, though with increasing strength of avoidance at coarser scales. Deer displayed scale-dependent responses to most other habitat features, including land cover type and habitat edges. Selection differed between night and day at the finest scales, but homogenized as scale increased. Deer displayed functional responses to development, with deer inhabiting the least developed ranges more strongly avoiding development relative to those with more development in their ranges. Energy development was a primary driver of habitat selection patterns in mule deer, structuring their behaviors across all scales examined. Stronger avoidance at coarser scales suggests that deer behaviorally mediated their interaction with development, but only to a degree. At higher development densities than seen in this area, such mediation may not be possible and thus maintenance of sufficient habitat with lower development densities will be a critical best management practice as development expands globally.

Coastal system mapping: a new approach to formalising and conceptualising the connectivity of large-scale coastal systems

NASA Astrophysics Data System (ADS)

French, J.; Burningham, H.; Whitehouse, R.

2010-12-01

The concept of the coastal sediment cell has proved invaluable as a basis for estimating sediment budgets and as a framework for coastal management. However, whilst coastal sediment cells are readily identified on compartmentalised coastlines dominated by beach-grade material, the cell concept is less suited to handling broader linkages between estuarine, coastal and offshore systems, and for incorporating longer-range suspended sediment transport. We present a new approach to the conceptualisation of large-scale coastal geomorphic systems based on a hierarchical classification of component landforms and management interventions and mapping of the interactions between them. Coastal system mapping is founded on a classification that identifies high-level landform features, low-level landform elements and engineering interventions. Geomorphic features define the large-scale organisation of a system and include landforms that define gross coastal configuration (e.g. headland, bay) as well as fluvial, estuarine and offshore sub-systems that exchange sediment with and influence the open coast. Detailed system structure is mapped out with reference to a larger set of geomorphic elements (e.g. cliff, dune, beach ridge). Element-element interactions define cross-shore linkages (conceptualised as hinterland, backshore and foreshore zones) and alongshore system structure. Both structural and non-structural engineering interventions are also represented at this level. Element-level mapping is rationalised to represent alongshore variation using as few elements as possible. System linkages include both sediment transfer pathways and influences not associated with direct mass transfer (e.g. effect of a jetty at an inlet). A formal procedure for capturing and graphically representing coastal system structure has been developed around free concept mapping software, CmapTools (http://cmap.ihmc.us). Appended meta-data allow geographic coordinates, data, images and literature pertaining to specific locations to be embedded in system maps. Exported maps can be analysed separately to quantify abundance of system components and their scales of interaction. Our approach is demonstrated for different scales and geomorphic contexts in the UK, including Alnmouth Bay (NE England; 15km), Lowestoft to Felixstowe (E England; 73km) and Cardigan Bay (Wales; 267km). Aerial imagery provides the primary basis for identifying features and elements and likely modes of interaction. This interpretation is then checked against relevant research literature and site data. Coastal system mapping is a kind of knowledge formalisation that generalises disparate sources of information (‘plain data’) into usable knowledge. Consensus-derived system maps are highly effective as a catalyst for structured discussion of geomorphic system behaviour and its implications for coastal management. They also function as a repository for results from quantitative analyses and modelling.

DemQSAR: predicting human volume of distribution and clearance of drugs

NASA Astrophysics Data System (ADS)

Demir-Kavuk, Ozgur; Bentzien, Jörg; Muegge, Ingo; Knapp, Ernst-Walter

2011-12-01

In silico methods characterizing molecular compounds with respect to pharmacologically relevant properties can accelerate the identification of new drugs and reduce their development costs. Quantitative structure-activity/-property relationship (QSAR/QSPR) correlate structure and physico-chemical properties of molecular compounds with a specific functional activity/property under study. Typically a large number of molecular features are generated for the compounds. In many cases the number of generated features exceeds the number of molecular compounds with known property values that are available for learning. Machine learning methods tend to overfit the training data in such situations, i.e. the method adjusts to very specific features of the training data, which are not characteristic for the considered property. This problem can be alleviated by diminishing the influence of unimportant, redundant or even misleading features. A better strategy is to eliminate such features completely. Ideally, a molecular property can be described by a small number of features that are chemically interpretable. The purpose of the present contribution is to provide a predictive modeling approach, which combines feature generation, feature selection, model building and control of overtraining into a single application called DemQSAR. DemQSAR is used to predict human volume of distribution (VDss) and human clearance (CL). To control overtraining, quadratic and linear regularization terms were employed. A recursive feature selection approach is used to reduce the number of descriptors. The prediction performance is as good as the best predictions reported in the recent literature. The example presented here demonstrates that DemQSAR can generate a model that uses very few features while maintaining high predictive power. A standalone DemQSAR Java application for model building of any user defined property as well as a web interface for the prediction of human VDss and CL is available on the webpage of DemPRED: http://agknapp.chemie.fu-berlin.de/dempred/.

DemQSAR: predicting human volume of distribution and clearance of drugs.

PubMed

Demir-Kavuk, Ozgur; Bentzien, Jörg; Muegge, Ingo; Knapp, Ernst-Walter

2011-12-01

In silico methods characterizing molecular compounds with respect to pharmacologically relevant properties can accelerate the identification of new drugs and reduce their development costs. Quantitative structure-activity/-property relationship (QSAR/QSPR) correlate structure and physico-chemical properties of molecular compounds with a specific functional activity/property under study. Typically a large number of molecular features are generated for the compounds. In many cases the number of generated features exceeds the number of molecular compounds with known property values that are available for learning. Machine learning methods tend to overfit the training data in such situations, i.e. the method adjusts to very specific features of the training data, which are not characteristic for the considered property. This problem can be alleviated by diminishing the influence of unimportant, redundant or even misleading features. A better strategy is to eliminate such features completely. Ideally, a molecular property can be described by a small number of features that are chemically interpretable. The purpose of the present contribution is to provide a predictive modeling approach, which combines feature generation, feature selection, model building and control of overtraining into a single application called DemQSAR. DemQSAR is used to predict human volume of distribution (VD(ss)) and human clearance (CL). To control overtraining, quadratic and linear regularization terms were employed. A recursive feature selection approach is used to reduce the number of descriptors. The prediction performance is as good as the best predictions reported in the recent literature. The example presented here demonstrates that DemQSAR can generate a model that uses very few features while maintaining high predictive power. A standalone DemQSAR Java application for model building of any user defined property as well as a web interface for the prediction of human VD(ss) and CL is available on the webpage of DemPRED: http://agknapp.chemie.fu-berlin.de/dempred/ .

Predicting disulfide connectivity from protein sequence using multiple sequence feature vectors and secondary structure.

PubMed

Song, Jiangning; Yuan, Zheng; Tan, Hao; Huber, Thomas; Burrage, Kevin

2007-12-01

Disulfide bonds are primary covalent crosslinks between two cysteine residues in proteins that play critical roles in stabilizing the protein structures and are commonly found in extracy-toplasmatic or secreted proteins. In protein folding prediction, the localization of disulfide bonds can greatly reduce the search in conformational space. Therefore, there is a great need to develop computational methods capable of accurately predicting disulfide connectivity patterns in proteins that could have potentially important applications. We have developed a novel method to predict disulfide connectivity patterns from protein primary sequence, using a support vector regression (SVR) approach based on multiple sequence feature vectors and predicted secondary structure by the PSIPRED program. The results indicate that our method could achieve a prediction accuracy of 74.4% and 77.9%, respectively, when averaged on proteins with two to five disulfide bridges using 4-fold cross-validation, measured on the protein and cysteine pair on a well-defined non-homologous dataset. We assessed the effects of different sequence encoding schemes on the prediction performance of disulfide connectivity. It has been shown that the sequence encoding scheme based on multiple sequence feature vectors coupled with predicted secondary structure can significantly improve the prediction accuracy, thus enabling our method to outperform most of other currently available predictors. Our work provides a complementary approach to the current algorithms that should be useful in computationally assigning disulfide connectivity patterns and helps in the annotation of protein sequences generated by large-scale whole-genome projects. The prediction web server and Supplementary Material are accessible at http://foo.maths.uq.edu.au/~huber/disulfide

The Forms and Functions of Impulsive Actions: Implications for Behavioral Assessment and Therapy

ERIC Educational Resources Information Center

Farmer, Richard F.; Golden, Jeannie A.

2009-01-01

Impulsivity is a central defining feature of several psychiatric disorders and a frequent correlate of many forms of psychopathology and maladjustment. Despite recognition of the importance of impulsivity to an understanding of a wide variety of clinically-relevant behaviors, this multifaceted construct remains ill-defined and not well understood.…

TIR-domain-containing adapter-inducing interferon-β (TRIF) forms filamentous structures, whose pro-apoptotic signalling is terminated by autophagy.

PubMed

Gentle, Ian E; McHenry, Kevin T; Weber, Arnim; Metz, Arlena; Kretz, Oliver; Porter, Dale; Häcker, Georg

2017-07-01

The formation of amyloid-like protein structures has recently emerged as a feature in signal transduction, particularly in innate immunity. These structures appear to depend on defined domains for their formation but likely also require dedicated ways to terminate signalling. We, here, define the innate immunity protein/Toll-like receptor adaptor TIR-domain-containing adapter-inducing interferon-β (TRIF) as a novel platform of fibril formation and probe signal initiation through TRIF as well as its termination in Toll-like receptor 3 (TLR3)-stimulated melanoma cells. A main signalling pathway triggered by TLR3 caused apoptosis, which was controlled by inhibitor of apoptosis proteins and was dependent on RIPK1 and independent of TNF. Using correlative electron/fluorescence microscopy, we visualised fibrillar structures formed through both Toll/interleukin-1 receptor and RIP homotypic interacting motif regions of TRIF. We provide evidence that these fibrillary structures are active signalling platforms whose activity is terminated by autophagy. TRIF-signalling enhanced autophagy, and fibrillary structures were partly contained within autophagosomes. Inhibition of autophagy increased levels of pro-apoptotic TRIF complexes, leading to the accumulation of active caspase-8 and enhanced apoptosis while stimulation of autophagy reduced TRIF-dependent death. We conclude that pro-death signals through TRIF are regulated by autophagy and propose that pro-apoptotic signalling through TRIF/RIPK1/caspase-8 occurs in fibrillary platforms. © 2017 Federation of European Biochemical Societies.

Evaluating Measurement of Dynamic Constructs: Defining a Measurement Model of Derivatives

PubMed Central

Estabrook, Ryne

2015-01-01

While measurement evaluation has been embraced as an important step in psychological research, evaluating measurement structures with longitudinal data is fraught with limitations. This paper defines and tests a measurement model of derivatives (MMOD), which is designed to assess the measurement structure of latent constructs both for analyses of between-person differences and for the analysis of change. Simulation results indicate that MMOD outperforms existing models for multivariate analysis and provides equivalent fit to data generation models. Additional simulations show MMOD capable of detecting differences in between-person and within-person factor structures. Model features, applications and future directions are discussed. PMID:24364383

Lesion-induced DNA weak structural changes detected by pulsed EPR spectroscopy combined with site-directed spin labelling.

PubMed

Sicoli, Giuseppe; Mathis, Gérald; Aci-Sèche, Samia; Saint-Pierre, Christine; Boulard, Yves; Gasparutto, Didier; Gambarelli, Serge

2009-06-01

Double electron-electron resonance (DEER) was applied to determine nanometre spin-spin distances on DNA duplexes that contain selected structural alterations. The present approach to evaluate the structural features of DNA damages is thus related to the interspin distance changes, as well as to the flexibility of the overall structure deduced from the distance distribution. A set of site-directed nitroxide-labelled double-stranded DNA fragments containing defined lesions, namely an 8-oxoguanine, an abasic site or abasic site analogues, a nick, a gap and a bulge structure were prepared and then analysed by the DEER spectroscopic technique. New insights into the application of 4-pulse DEER sequence are also provided, in particular with respect to the spin probes' positions and the rigidity of selected systems. The lesion-induced conformational changes observed, which were supported by molecular dynamics studies, confirm the results obtained by other, more conventional, spectroscopic techniques. Thus, the experimental approaches described herein provide an efficient method for probing lesion-induced structural changes of nucleic acids.

Molecular engineering of phosphole-based conjugated materials

NASA Astrophysics Data System (ADS)

Ren, Yi

The work in this thesis focuses on the molecular engineering of phosphorus-based conjugated materials. In the first part (Chapters Two and Three), new phosphorus-based conjugated systems were designed and synthesized to study the effect of the heteroelement on the electronic properties of the π-conjugated systems. The second part (Chapters Four and Five) deals with the self-assembly features of specifically designed phosphorus-based conjugated systems. In Chapter Two, electron-poor and electron-rich aromatic substituents were introduced to the dithienophosphole core in order to balance the electron-accepting and electron-donating character of the systems. Furthermore, an intriguing intramolecular charge transfer process could be observed between two dithienophosphole cores in a bridged bisphosphole-system. In Chapter Three, a secondary heteroelement (Si, P, S) was incorporated in the phosphorus-based conjugated systems. Extensive structure-property studies revealed that the secondary heteroelement can effectively manipulate the communication in phosphinine-based systems. The study of a heterotetracene system allowed for selectively applying distinct heteroatom (S/P) chemistries, which offers a powerful tool for the modification of the electronic structure of the system. More importantly, the heteroatom-specific electronic nature (S/P) can be utilized to selectively control different photophysical aspects (energy gap and fluorescence quantum yield). Furthermore, additional molecular engineering of the heterotetracene provided access to well-defined 1D microstructures, which opened the door for designing multi-functional self-assembled phosphorus-based materials. In Chapter Four, the self-organizing phosphole-lipid system is introduced, which combines the features of phospholipids with the electronics of phospholes. Its amphiphilic nature induces intriguing self-assembly features - liquid crystal and soft crystal architectures, both exhibiting well-organized lamellar structure at a wide range of temperatures. Importantly, its dynamic structure endows the phosphole-lipid system with intriguing external stimuli-responsive features allowing for the modification of the emission of the system without further chemical modification. Chapter Five describes how further molecular engineering allowed for access to a series of new highly fluorescent phosphole-lipid organogels. Remarkably, the external-stimuli responsive features of the system can be amplified in a donor-acceptor system accessible through changes in long distance fluorescence resonance energy transfer processes. In addition, the first fluorescent liquid phospholes could also be accessed in the context of the work on the new phosphole-lipid system.

Electronic structure, charge transfer, and intrinsic luminescence of gadolinium oxide nanoparticles: Experiment and theory

NASA Astrophysics Data System (ADS)

Zatsepin, D. A.; Boukhvalov, D. W.; Zatsepin, A. F.; Kuznetsova, Yu. A.; Mashkovtsev, M. A.; Rychkov, V. N.; Shur, V. Ya.; Esin, A. A.; Kurmaev, E. Z.

2018-04-01

The cubic (c) and monoclinic (m) polymorphs of Gd2O3 were studied using the combined analysis of several materials science techniques - X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and photoluminescence (PL) spectroscopy. Density functional theory (DFT) based calculations for the samples under study were performed as well. The cubic phase of gadolinium oxide (c-Gd2O3) synthesized using a precipitation method exhibits spheroidal-like nanoclusters with well-defined edges assembled from primary nanoparticles with an average size of 50 nm, whereas the monoclinic phase of gadolinium oxide (m-Gd2O3) deposited using explosive pyrolysis has a denser structure compared with natural gadolinia. This phase also has a structure composed of three-dimensional complex agglomerates without clear-edged boundaries that are ∼21 nm in size plus a cubic phase admixture of only 2 at.% composed of primary edge-boundary nanoparticles ∼15 nm in size. These atomic features appear in the electronic structure as different defects ([Gd…Osbnd OH] and [Gd…Osbnd O]) and have dissimilar contributions to the charge-transfer processes among the appropriate electronic states with ambiguous contributions in the Gd 5р - O 2s core-like levels in the valence band structures. The origin of [Gd…Osbnd OH] defects found by XPS was well-supported by PL analysis. The electronic and atomic structures of the synthesized gadolinias calculated using DFT were compared and discussed on the basis of the well-known joint OKT-van der Laan model, and good agreement was established.

Core–shell PdPb@Pd aerogels with multiply-twinned intermetallic nanostructures: facile synthesis with accelerated gelation kinetics and their enhanced electrocatalytic properties

DOE PAGES

Zhu, Chengzhou; Shi, Qiurong; Fu, Shaofang; ...

2018-04-04

Delicately engineering well-defined noble metal aerogels with favorable structural and compositional features is of vital importance for wide applications. Here, we reported a one-pot and facile method for synthesizing core–shell PdPb@Pd hydrogels/aerogels with multiply-twinned grains and an ordered intermetallic phase using sodium hypophosphite as a multifunctional reducing agent. Due to the accelerated gelation kinetics induced by increased reaction temperature and the specific function of sodium hypophosphite, the formation of hydrogels can be completed within 4 h. As a result, owing to their unique porous structure and favorable geometric and electronic effects, the optimized PdPb@Pd aerogels exhibit enhanced electrochemical performance towardsmore » ethylene glycol oxidation with a mass activity of 5.8 times higher than Pd black.« less

Gaming-simulation and health education an overview.

PubMed

Greenblat, C S

1977-01-01

Simulation entails abstraction and representation from a larger system in terms of process as well as structure. Central features are identified and simplified, less important elements are omitted from the model. In medical and health education, simulation enables learners to practice in an environment where mistakes are not costly, such as with simulated patients. Gaming-simulation incorporates role-playing into a defined system of interaction simulating a real world system and is characterized by the degree of structure of the roles and the focus on role interactions. Employment of gaming-simulation is embryonic in health education. Examples included in this Monograph concern problems of aging, hemophiliacs, and the dying; teaching interpersonal skills in psychiatric nursing; interactions of health care systems with their communities; and several other topics. Evaluation is discussed in a separate paper. A variety of health care gaming resources are described.

Core–shell PdPb@Pd aerogels with multiply-twinned intermetallic nanostructures: facile synthesis with accelerated gelation kinetics and their enhanced electrocatalytic properties

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

Zhu, Chengzhou; Shi, Qiurong; Fu, Shaofang

Delicately engineering well-defined noble metal aerogels with favorable structural and compositional features is of vital importance for wide applications. Here, we reported a one-pot and facile method for synthesizing core–shell PdPb@Pd hydrogels/aerogels with multiply-twinned grains and an ordered intermetallic phase using sodium hypophosphite as a multifunctional reducing agent. Due to the accelerated gelation kinetics induced by increased reaction temperature and the specific function of sodium hypophosphite, the formation of hydrogels can be completed within 4 h. As a result, owing to their unique porous structure and favorable geometric and electronic effects, the optimized PdPb@Pd aerogels exhibit enhanced electrochemical performance towardsmore » ethylene glycol oxidation with a mass activity of 5.8 times higher than Pd black.« less

Storage of features, conjunctions and objects in visual working memory.

PubMed

Vogel, E K; Woodman, G F; Luck, S J

2001-02-01

Working memory can be divided into separate subsystems for verbal and visual information. Although the verbal system has been well characterized, the storage capacity of visual working memory has not yet been established for simple features or for conjunctions of features. The authors demonstrate that it is possible to retain information about only 3-4 colors or orientations in visual working memory at one time. Observers are also able to retain both the color and the orientation of 3-4 objects, indicating that visual working memory stores integrated objects rather than individual features. Indeed, objects defined by a conjunction of four features can be retained in working memory just as well as single-feature objects, allowing many individual features to be retained when distributed across a small number of objects. Thus, the capacity of visual working memory must be understood in terms of integrated objects rather than individual features.

In quest of a systematic framework for unifying and defining nanoscience

PubMed Central

2009-01-01

This article proposes a systematic framework for unifying and defining nanoscience based on historic first principles and step logic that led to a “central paradigm” (i.e., unifying framework) for traditional elemental/small-molecule chemistry. As such, a Nanomaterials classification roadmap is proposed, which divides all nanomatter into Category I: discrete, well-defined and Category II: statistical, undefined nanoparticles. We consider only Category I, well-defined nanoparticles which are >90% monodisperse as a function of Critical Nanoscale Design Parameters (CNDPs) defined according to: (a) size, (b) shape, (c) surface chemistry, (d) flexibility, and (e) elemental composition. Classified as either hard (H) (i.e., inorganic-based) or soft (S) (i.e., organic-based) categories, these nanoparticles were found to manifest pervasive atom mimicry features that included: (1) a dominance of zero-dimensional (0D) core–shell nanoarchitectures, (2) the ability to self-assemble or chemically bond as discrete, quantized nanounits, and (3) exhibited well-defined nanoscale valencies and stoichiometries reminiscent of atom-based elements. These discrete nanoparticle categories are referred to as hard or soft particle nanoelements. Many examples describing chemical bonding/assembly of these nanoelements have been reported in the literature. We refer to these hard:hard (H-n:H-n), soft:soft (S-n:S-n), or hard:soft (H-n:S-n) nanoelement combinations as nanocompounds. Due to their quantized features, many nanoelement and nanocompound categories are reported to exhibit well-defined nanoperiodic property patterns. These periodic property patterns are dependent on their quantized nanofeatures (CNDPs) and dramatically influence intrinsic physicochemical properties (i.e., melting points, reactivity/self-assembly, sterics, and nanoencapsulation), as well as important functional/performance properties (i.e., magnetic, photonic, electronic, and toxicologic properties). We propose this perspective as a modest first step toward more clearly defining synthetic nanochemistry as well as providing a systematic framework for unifying nanoscience. With further progress, one should anticipate the evolution of future nanoperiodic table(s) suitable for predicting important risk/benefit boundaries in the field of nanoscience. Electronic supplementary material The online version of this article (doi:10.1007/s11051-009-9632-z) contains supplementary material, which is available to authorized users. PMID:21170133

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

NASA Astrophysics Data System (ADS)

Khalili, Ashkan; Jha, Ratneshwar; Samaratunga, Dulip

2016-11-01

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

Inheritance rules for Hierarchical Metadata Based on ISO 19115

NASA Astrophysics Data System (ADS)

Zabala, A.; Masó, J.; Pons, X.

2012-04-01

Mainly, ISO19115 has been used to describe metadata for datasets and services. Furthermore, ISO19115 standard (as well as the new draft ISO19115-1) includes a conceptual model that allows to describe metadata at different levels of granularity structured in hierarchical levels, both in aggregated resources such as particularly series, datasets, and also in more disaggregated resources such as types of entities (feature type), types of attributes (attribute type), entities (feature instances) and attributes (attribute instances). In theory, to apply a complete metadata structure to all hierarchical levels of metadata, from the whole series to an individual feature attributes, is possible, but to store all metadata at all levels is completely impractical. An inheritance mechanism is needed to store each metadata and quality information at the optimum hierarchical level and to allow an ease and efficient documentation of metadata in both an Earth observation scenario such as a multi-satellite mission multiband imagery, as well as in a complex vector topographical map that includes several feature types separated in layers (e.g. administrative limits, contour lines, edification polygons, road lines, etc). Moreover, and due to the traditional split of maps in tiles due to map handling at detailed scales or due to the satellite characteristics, each of the previous thematic layers (e.g. 1:5000 roads for a country) or band (Landsat-5 TM cover of the Earth) are tiled on several parts (sheets or scenes respectively). According to hierarchy in ISO 19115, the definition of general metadata can be supplemented by spatially specific metadata that, when required, either inherits or overrides the general case (G.1.3). Annex H of this standard states that only metadata exceptions are defined at lower levels, so it is not necessary to generate the full registry of metadata for each level but to link particular values to the general value that they inherit. Conceptually the metadata registry is complete for each metadata hierarchical level, but at the implementation level most of the metadata elements are not stored at both levels but only at more generic one. This communication defines a metadata system that covers 4 levels, describes which metadata has to support series-layer inheritance and in which way, and how hierarchical levels are defined and stored. Metadata elements are classified according to the type of inheritance between products, series, tiles and the datasets. It explains the metadata elements classification and exemplifies it using core metadata elements. The communication also presents a metadata viewer and edition tool that uses the described model to propagate metadata elements and to show to the user a complete set of metadata for each level in a transparent way. This tool is integrated in the MiraMon GIS software.

Archaeological Feature Detection from Archive Aerial Photography with a Sfm-Mvs and Image Enhancement Pipeline

NASA Astrophysics Data System (ADS)

Peppa, M. V.; Mills, J. P.; Fieber, K. D.; Haynes, I.; Turner, S.; Turner, A.; Douglas, M.; Bryan, P. G.

2018-05-01

Understanding and protecting cultural heritage involves the detection and long-term documentation of archaeological remains alongside the spatio-temporal analysis of their landscape evolution. Archive aerial photography can illuminate traces of ancient features which typically appear with different brightness values from their surrounding environment, but are not always well defined. This research investigates the implementation of the Structure-from-Motion - Multi-View Stereo image matching approach with an image enhancement algorithm to derive three epochs of orthomosaics and digital surface models from visible and near infrared historic aerial photography. The enhancement algorithm uses decorrelation stretching to improve the contrast of the orthomosaics so as archaeological features are better detected. Results include 2D / 3D locations of detected archaeological traces stored into a geodatabase for further archaeological interpretation and correlation with benchmark observations. The study also discusses the merits and difficulties of the process involved. This research is based on a European-wide project, entitled "Cultural Heritage Through Time", and the case study research was carried out as a component of the project in the UK.

The external morphology of adult female Egrasilus labracis as shown using hexamethyldisilazane treated, uncoated specimens for scanning electron microscopy.

PubMed

Murray, Harry M; Hill, Stephen J; Ang, Keng P

2016-07-01

The description and application of a modified Scanning Electron Microscope preparation technique using hexamethyldisilazane for small parasitic copepods was demonstrated though a high resolution depiction of individuals of Ergasilus labracis sampled from three spined stickleback (Gasterosteus aculeatus) in Bay D'Espoir, Newfoundland during summer 2015 and from archival samples retrieved from Atlantic salmon par (Salmo salar) stored at the Atlantic reference centre, St. Andrews, New Brunswick. The specimens were very well preserved showing high quality detail of important features and verifying those previously described using light microscopy by Hogans. Additionally the technique allowed excellent in situ demonstrations of mouth parts, swimming legs, and unusual and previously undescribed features of the second antenna including prominent striations and pore-like structures found to define the claw. It is thought that this technique will become a quick and efficient tool for describing important taxonomic features of small parasitic copepods like E. labracis or other similar small aquatic organisms. Microsc. Res. Tech. 79:657-663, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Dendrimers as Carriers for siRNA Delivery and Gene Silencing: A Review

PubMed Central

Huang, Weizhe; He, Ziying

2013-01-01

RNA interference (RNAi) was first literaturally reported in 1998 and has become rapidly a promising tool for therapeutic applications in gene therapy. In a typical RNAi process, small interfering RNAs (siRNA) are used to specifically downregulate the expression of the targeted gene, known as the term “gene silencing.” One key point for successful gene silencing is to employ a safe and efficient siRNA delivery system. In this context, dendrimers are emerging as potential nonviral vectors to deliver siRNA for RNAi purpose. Dendrimers have attracted intense interest since their emanating research in the 1980s and are extensively studied as efficient DNA delivery vectors in gene transfer applications, due to their unique features based on the well-defined and multivalent structures. Knowing that DNA and RNA possess a similar structure in terms of nucleic acid framework and the electronegative nature, one can also use the excellent DNA delivery properties of dendrimers to develop effective siRNA delivery systems. In this review, the development of dendrimer-based siRNA delivery vectors is summarized, focusing on the vector features (siRNA delivery efficiency, cytotoxicity, etc.) of different types of dendrimers and the related investigations on structure-activity relationship to promote safe and efficient siRNA delivery system. PMID:24288498

Nakhla: a Martian Meteorite with Indigenous Organic Carbonaceous Features

NASA Technical Reports Server (NTRS)

McKay, D. S.; Gibson, E. K.; Thomas-Keprta, K. L.; Clemett, S. J.; Le, L.; Rahman, Z.; Wentworth, S. J.

2011-01-01

The Nakhla meteorite possesses discrete, well defined, structurally coherent morphologies of carbonaceous phases present within iddingsite alteration zones. Based upon both isotopic measurements and analysis of organic phases the presence of pre-terrestrial organics is now recognized. Within the microcrystalline layers of Nakhla s iddingsite, discrete clusters of salt crystals are present. These salts are predominantly halite (NaCl) with minor MgCl2 crystals. Some CaSO4, likely gypsum, appears to be partially intergrown with some of the halite. EDX mapping shows discrete C-rich features are interspersed among these crystals. A hollow semi-spherical bowl structure ( 3 m ) has been identified and analyzed after using a focused ion beam (FIB) to cut a transverse TEM thin section of the feature and the underlying iddingsite. TEM/EDX analysis reveals that the feature is primarily carbonaceous containing C with lesser amounts of Si, S, Ca, Cl, F, Na, and minor Mn and Fe; additionally a small peak consistent with N, which has been previously seen in Nakhla carbonaceous matter, is also present. Selected area electron diffraction (SAED) shows that this C-rich material is amorphous (lacking any long-range crystallographic order) and is not graphite or carbonate. Micro-Raman spectra acquired from the same surface from which the FIB section was extracted demonstrate a typical kerogen-like D and G band structure with a weak absorption peak at 1350 and a stronger peak at 1600/cm. The C-rich feature is intimately associated with both the surrounding halite and underlying iddingsite matrix. Both iddingsite and salts are interpreted as having formed as evaporate assemblages from progressive evaporation of water bodies on Mars. This assemblage, sans the carbonaceous moieties, closely resembles iddingsite alteration features previously described which were interpreted as indigenous Martian assemblages. These distinctive macromolecular carbonaceous structures in Nakhla may represent one of the sources of the high molecular weight organic material previously identified in Nakhla. While we do not speculate on the origin of these unique carbonaceous structures, we note that the significance of such observations is that it may allow us to construct a C-cycle for Mars based on the C chemistry of the Martian meteorites with obvious implications for astrobiology and the prebiotic evolution of Mars. In any case, our observations strongly suggest that organic C exists as micrometersize, discrete structures on Mars.

[Criteria of quality of structure in rehabilitation units with inpatient treatment].

PubMed

Klein, K; Farin, E; Jäckel, W H; Blatt, O; Schliehe, F

2004-04-01

The structure of a rehabilitation unit is an important feature of the quality of care. Adequate and qualitatively good structures provide the basis for appropriate therapy offers and treatment and eventually, a better health for rehabilitants. The quality of structures is generally recorded without any evaluation of the aspects in particular. The definition of standards is the basis for such an evaluation. The project presented is aimed at the definition of relevant structural standards for rehab units with inpatient treatment for musculoskeletal, cardiac, neurological, gastroenterological, oncological, pneumological and dermatological diseases. Here, the distinction between basal criteria which have to be fulfilled by every rehab unit with inpatient treatment and criteria important for a well-aimed assignment of patients with specific needs ("assignment criteria") should be made. Apart from the documentation of structural attributes, the structural quality of a rehab unit can be described individually as well as in comparison with other units. Relevant structural criteria were defined in expert meetings by means of a modified Delphi-technique with five inquiries. Overall, 199 "basal criteria" and "assignment criteria" were defined. All criteria can be assigned to the two domains general structural characteristics (general characteristics and equipment of rooms; medical/technical equipment; therapy, education, care; staff) and process-related structures (conceptual frames; internal quality management; internal communication and personnel development). The structural standards are applicable to units for musculoskeletal, cardiac, neurological, oncological, gastroenterological, dermatological and pneumological rehabilitation financed by the two main providers of rehabilitation, the statutory pension insurance scheme and the statutory health insurance scheme for all other five indications. The definition of structural standards agreed by experts in a formal consensus process, provides comprehensive and concrete requirements for German rehab units with inpatient medical rehabilitation. If the two main providers of rehabilitation both use the standards this can be regarded as a hallmark on the path to a unitary programme for quality management. The results enable units to analyse their weak points not just on an individual basis but allow also for a comparison between units, along with contributing to optimizing the structural quality of rehab units.

Osteoarthritis of the distal interphalangeal joint.

PubMed

Kaufmann, Robert A; Lögters, Tim T; Verbruggen, Gust; Windolf, Joachim; Goitz, Robert J

2010-12-01

Osteoarthritis occurs with the highest prevalence in the distal interphalangeal joint of the hand and has been divided into an erosive and a nonerosive form. The pathogenesis of the early stages of osteoarthritis is poorly understood, but considerable emphasis has been placed on the role of cartilage and subchondral bone as well as soft tissue structures such as collateral ligaments and tendons. Radiographic evaluation represents the most standardized method to quantify disease progression, with different systems having been developed for defining and grading radiographic features. This current concepts article examines the recent knowledge base regarding the etiology, pathogenesis, and evaluation of osteoarthritis of the distal interphalangeal joint. Copyright © 2010. Published by Elsevier Inc.

Advancing Development of Intercultural Competence through Supporting Predictions in Narrative Video

ERIC Educational Resources Information Center

Ogan, Amy; Aleven, Vincent; Jones, Christopher

2009-01-01

Most successes in intelligent tutoring systems have come in well-defined domains like algebra or physics. We investigate how to support students in acquiring ill-defined skills of intercultural competence using an online environment that employs clips of feature films from a target culture. To test the effectiveness of a set of attention-focusing…

Generation of Well-Defined Micro/Nanoparticles via Advanced Manufacturing Techniques for Therapeutic Delivery

PubMed Central

Zhang, Peipei; Xia, Junfei; Luo, Sida

2018-01-01

Micro/nanoparticles have great potentials in biomedical applications, especially for drug delivery. Existing studies identified that major micro/nanoparticle features including size, shape, surface property and component materials play vital roles in their in vitro and in vivo applications. However, a demanding challenge is that most conventional particle synthesis techniques such as emulsion can only generate micro/nanoparticles with a very limited number of shapes (i.e., spherical or rod shapes) and have very loose control in terms of particle sizes. We reviewed the advanced manufacturing techniques for producing micro/nanoparticles with precisely defined characteristics, emphasizing the use of these well-controlled micro/nanoparticles for drug delivery applications. Additionally, to illustrate the vital roles of particle features in therapeutic delivery, we also discussed how the above-mentioned micro/nanoparticle features impact in vitro and in vivo applications. Through this review, we highlighted the unique opportunities in generating controllable particles via advanced manufacturing techniques and the great potential of using these micro/nanoparticles for therapeutic delivery. PMID:29670013

Blue nevus and "malignant blue nevus:" A concise review.

PubMed

Sugianto, Jessica Zarah; Ralston, Jonathan Scott; Metcalf, John S; McFaddin, Courtney L; Smith, M Timothy

2016-07-01

Blue nevi are a heterogeneous group of lesions that can display a variety of different clinicopathological characteristics. Although attempts are made to classify each lesion into defined subtypes, there can be overlap between the subtypes. The clinical and histolopathologic features of common blue nevi and cellular blue nevi are discussed, as well as blue nevi with atypical features and malignant lesions with features of blue nevi. Copyright © 2016 Elsevier Inc. All rights reserved.

Method for photolithographic definition of recessed features on a semiconductor wafer utilizing auto-focusing alignment

DOEpatents

Farino, A.J.; Montague, S.; Sniegowski, J.J.; Smith, J.H.; McWhorter, P.J.

1998-07-21

A method is disclosed for photolithographically defining device features up to the resolution limit of an auto-focusing projection stepper when the device features are to be formed in a wafer cavity at a depth exceeding the depth of focus of the stepper. The method uses a focusing cavity located in a die field at the position of a focusing light beam from the auto-focusing projection stepper, with the focusing cavity being of the same depth as one or more adjacent cavities wherein a semiconductor device is to be formed. The focusing cavity provides a bottom surface for referencing the focusing light beam and focusing the stepper at a predetermined depth below the surface of the wafer, whereat the device features are to be defined. As material layers are deposited in each device cavity to build up a semiconductor structure such as a microelectromechanical system (MEMS) device, the same material layers are deposited in the focusing cavity, raising the bottom surface and re-focusing the stepper for accurately defining additional device features in each succeeding material layer. The method is especially applicable for forming MEMS devices within a cavity or trench and integrating the MEMS devices with electronic circuitry fabricated on the wafer surface. 15 figs.

Method for photolithographic definition of recessed features on a semiconductor wafer utilizing auto-focusing alignment

DOEpatents

Farino, Anthony J.; Montague, Stephen; Sniegowski, Jeffry J.; Smith, James H.; McWhorter, Paul J.

1998-01-01

A method is disclosed for photolithographically defining device features up to the resolution limit of an auto-focusing projection stepper when the device features are to be formed in a wafer cavity at a depth exceeding the depth of focus of the stepper. The method uses a focusing cavity located in a die field at the position of a focusing light beam from the auto-focusing projection stepper, with the focusing cavity being of the same depth as one or more adjacent cavities wherein a semiconductor device is to be formed. The focusing cavity provides a bottom surface for referencing the focusing light beam and focusing the stepper at a predetermined depth below the surface of the wafer, whereat the device features are to be defined. As material layers are deposited in each device cavity to build up a semiconductor structure such as a microelectromechanical system (MEMS) device, the same material layers are deposited in the focusing cavity, raising the bottom surface and re-focusing the stepper for accurately defining additional device features in each succeeding material layer. The method is especially applicable for forming MEMS devices within a cavity or trench and integrating the MEMS devices with electronic circuitry fabricated on the wafer surface.

Applications of CPL mask technology for sub-65nm gate imaging

NASA Astrophysics Data System (ADS)

Litt, Lloyd C.; Conley, Will; Wu, Wei; Peters, Richie; Parker, Colita; Cobb, Jonathan; Kasprowicz, Bryan S.; van den Broeke, Doug; Park, J. C.; Karur-Shanmugam, Ramkumar

2005-05-01

The requirements for critical dimension control on gate layer for high performance products are increasingly demanding. Phase shift techniques provide aerial image enhancement, which can translate into improved process window performance and greater critical dimension (CD) control if properly applied. Unfortunately, the application of hard shifter technology to production requires significant effort in layout and optical proximity correction (OPC) application. Chromeless Phase Lithography (CPL) has several advantages over complementary phase mask (c:PSM) such as use of a single mask, and lack of phase placement 'coloring' conflicts and phase imbalance issues. CPL does have implementation issues that must be resolved before it can be used in full-scale production. CPL mask designs can be approached by separating features into three zones based on several parameters, including size relative to the lithographic resolution of the stepper lens, wavelength, and illumination conditions defined. Features are placed into buckets for different treatment zones. Zone 1 features are constructed with 100% transmission phase shifted structures and Zone 3 features are chrome (binary) structures. Features that fall into Zone 2, which are too wide to be defined using the 100% transmission of pure CPL (i.e. have negative mask error factor, MEEF) are the most troublesome and can be approached in several ways. The authors have investigated the application of zebra structures of various sizes to product type layouts. Previous work to investigate CPL using test structures set the groundwork for the more difficult task of applying CPL rules to actual random logic design layouts, which include many zone transitions. Mask making limitations have been identified that play a role in the zebra sizing that can be applied to Zone 2 features. The elimination of Zone 2 regions was also investigated in an effort to simplify the application of CPL and improve manufacturability of reticle through data enhancements.

Structural power and the evolution of collective fairness in social networks.

PubMed

Santos, Fernando P; Pacheco, Jorge M; Paiva, Ana; Santos, Francisco C

2017-01-01

From work contracts and group buying platforms to political coalitions and international climate and economical summits, often individuals assemble in groups that must collectively reach decisions that may favor each part unequally. Here we quantify to which extent our network ties promote the evolution of collective fairness in group interactions, modeled by means of Multiplayer Ultimatum Games (MUG). We show that a single topological feature of social networks-which we call structural power-has a profound impact on the tendency of individuals to take decisions that favor each part equally. Increased fair outcomes are attained whenever structural power is high, such that the networks that tie individuals allow them to meet the same partners in different groups, thus providing the opportunity to strongly influence each other. On the other hand, the absence of such close peer-influence relationships dismisses any positive effect created by the network. Interestingly, we show that increasing the structural power of a network leads to the appearance of well-defined modules-as found in human social networks that often exhibit community structure-providing an interaction environment that maximizes collective fairness.

Airborne photogrammetry and geomorphological analysis of the 2001-2012 exogenous dome growth at Molodoy Shiveluch Volcano, Kamchatka

NASA Astrophysics Data System (ADS)

Shevchenko, A. V.; Dvigalo, V. N.; Svirid, I. Yu.

2015-10-01

In 2001, after a six-year pause in extrusive activity, lava dome growth resumed at Molodoy Shiveluch Volcano. The new period of dome growth (2001-present) has morphological features that were uncommon during the previous periods of the dome formation (1980-1981, 1993-1995): numerous lava lobes and crease structures. Thus, the current dome growth is mostly of an exogenous type with short periods of endogenous growth that occurred in 2003, 2005, and 2010. Geomorphological interpretation of stereo photo images has revealed elements of the dome that are hardly distinguishable in single photographs. We have made detailed descriptions of the dome morphology covering all the dates of the available images. By using photogrammetric processing of aerial photographs, we created Digital Terrain Models and topographic maps of the lava dome and defined its volumes for 2001 (0.19 km3), 2003 (0.47 km3), 2005 (0.48 km3), 2010 (0.54 km3), and 2012 (0.63 km3). We also defined other morphometric characteristics: absolute and relative heights, as well as the dimensions of the dome and its elements for the investigated period. Taking into account large partial failures of the dome in 2005 (>0.11 km3) and 2010 (0.28 km3), we suggest that the volume of the extruded material for the whole 1980-2012 period was no less than 1.02 km3. The average extrusion rate over the 2001-2012 period exceeded 225,000 m3/day. The transition from endogenous to exogenous dome growth was possibly caused by change in extruded material physical properties due to an increase of SiO2. On the basis of geomorphological analysis of the current lava dome features, we suggest the possible process of the exogenous dome formation at Molodoy Shiveluch. The crease structures detected at Molodoy Shiveluch were classified into three groups according to their shapes: radial, bilaterally symmetrical, and irregular. These crease structures are morphologically similar to those formed at Unzen Volcano during the 1990-1995 eruption. Some revealed morphological features of the crease structures show that the role of gravity is insignificant in their formation. We assume that the crease structures at Molodoy Shiveluch were formed by inner stresses due to thermal and solidification gradients.

Anorectal Disorders

PubMed Central

Rao, Satish S. C.; Bharucha, Adil E.; Chiarioni, Giuseppe; Felt-Bersma, Richelle; Knowles, Charles; Malcolm, Allison; Wald, Arnold

2016-01-01

This report defines criteria and reviews the epidemiology, pathophysiology, and management of the following common anorectal disorders: fecal incontinence (FI), functional anorectal pain, and functional defecation disorders. FI is defined as the recurrent uncontrolled passage of fecal material for at least 3 months. The clinical features of FI are useful for guiding diagnostic testing and therapy. Anorectal manometry and imaging are useful for evaluating anal and pelvic floor structure and function. Education, antidiarrheals, and biofeedback therapy are the mainstay of management; surgery may be useful in refractory cases. Functional anorectal pain syndromes are defined by clinical features and categorized into 3 subtypes. In proctalgia fugax, the pain is typically fleeting and lasts for seconds to minutes. In levator ani syndrome and unspecified anorectal pain, the pain lasts more than 30 minutes, but in levator ani syndrome there is puborectalis tenderness. Functional defecation disorders are defined by ≥2 symptoms of chronic constipation or irritable bowel syndrome with constipation, and with ≥2 features of impaired evacuation, that is, abnormal evacuation pattern on manometry, abnormal balloon expulsion test, or impaired rectal evacuation by imaging. It includes 2 subtypes: dyssynergic defecation and inadequate defecatory propulsion. Pelvic floor biofeedback therapy is effective for treating levator ani syndrome and defecatory disorders. PMID:27144630

Functional Anorectal Disorders.

PubMed

Rao, Satish Sc; Bharucha, Adil E; Chiarioni, Giuseppe; Felt-Bersma, Richelle; Knowles, Charles; Malcolm, Allison; Wald, Arnold

2016-03-25

This report defines criteria and reviews the epidemiology, pathophysiology, and management of common anorectal disorders: fecal incontinence (FI), functional anorectal pain and functional defecation disorders. FI is defined as the recurrent uncontrolled passage of fecal material for at least 3 months. The clinical features of FI are useful for guiding diagnostic testing and therapy. Anorectal manometry and imaging are useful for evaluating anal and pelvic floor structure and function. Education, antidiarrheals and biofeedback therapy are the mainstay of management; surgery may be useful in refractory cases. Functional anorectal pain syndromes are defined by clinical features and categorized into three subtypes. In proctalgia fugax, the pain is typically fleeting and lasts for seconds to minutes. In levator ani syndrome (LAS) and unspecified anorectal pain the pain lasts more than 30 minutes, but in LAS there is puborectalis tenderness. Functional defecation disorders are defined by >2 symptoms of chronic constipation or irritable bowel syndrome with constipation, and with >2 features of impaired evacuation i.e., abnormal evacuation pattern on manometry, abnormal balloon expulsion test or impaired rectal evacuation by imaging. It includes two subtypes; dyssynergic defecation and inadequate defecatory propulsion. Pelvic floor biofeedback therapy is effective for treating LAS and defecatory disorders. Copyright © 2016 AGA Institute. Published by Elsevier Inc. All rights reserved.

Design, synthesis and characterization of novel binary V(V)-Schiff base materials linked with insulin-mimetic vanadium-induced differentiation of 3T3-L1 fibroblasts to adipocytes. Structure-function correlations at the molecular level.

PubMed

Halevas, E; Tsave, O; Yavropoulou, M P; Hatzidimitriou, A; Yovos, J G; Psycharis, V; Gabriel, C; Salifoglou, A

2015-06-01

Among the various roles of vanadium in the regulation of intracellular signaling, energy metabolism and insulin mimesis, its exogenous activity stands as a contemporary challenge currently under investigation and a goal to pursue as a metallodrug against Diabetes mellitus II. In this regard, the lipogenic activity of vanadium linked to the development of well-defined anti-diabetic vanadodrugs has been investigated through: a) specifically designing and synthesizing Schiff base organic ligands L, bearing a variable number of terminal alcohols, b) a series of well-defined soluble binary V(V)-L compounds synthesized and physicochemically characterized, c) a study of their cytotoxic effect and establishment of adipogenic activity in 3T3-L1 fibroblasts toward mature adipocytes, and d) biomarker examination of a closely-linked molecular target involving or influenced by the specific V(V) forms, cumulatively delineating factors involved in potential pathways linked to V(V)-induced insulin-like activity. Collectively, the results a) project the importance of specific structural features in Schiff ligands bound to V(V), thereby influencing the emergence of its (a)toxicity and for the first time its insulin-like activity in pre-adipocyte differentiation, b) contribute to the discovery of molecular targets influenced by the specific vanadoforms seeking to induce glucose uptake, and c) indicate an interplay of V(V) structural speciation and cell-differentiation biological activity, thereby gaining insight into vanadium's potential as a future metallodrug in Diabetes mellitus. Copyright © 2015 Elsevier Inc. All rights reserved.

The Diagnostic Dilemma of Pathological Appearance and Performance Enhancing Drug Use

PubMed Central

Hildebrandt, Tom; Lai, Justine K.; Langenbucher, James W.; Schneider, Melanie; Yehuda, Rachel; Pfaff, Donald W.

2010-01-01

Appearance and performance enhancing drug (APED) use includes the use of a range of pharmacologically distinct substances and concurrent investment in outward appearance or achievement, dietary control, and frequent exercise. A number of existing reviews and conceptual papers have defined pathological forms of APED use within the APED class of anabolic-androgenic steroids (AASs) and using the framework of AAS dependence. We review published data on APED use including human studies of AAS users and identified three defining phenomenological features associated with increased health risk and pathology. These features included (1) polypharmacy or the concurrent use of several pharmacologically distinct substances used to change outward appearance or increase likelihood of personal achievement; (2) significant body image disturbance; (3) rigid practices and preoccupations with diet and exercise. Investigations into the latent structure of APED use suggest these features cluster together in a homogenous group of APED users who have the highest health risk and most psychopathology. These features are discussed in the context of AAS dependence and problems with defining classic tolerance-withdrawal symptoms among APED users. Suggestions for a resolution and outline for future research needed to determine the best system for identifying and diagnosing pathological APED use are discussed. PMID:21115306

An Overview of Materials Structures for Extreme Environments Efforts for 2015 SBIR Phases I and II

NASA Technical Reports Server (NTRS)

Nguyen, Hung D.; Steele, Gynelle C.

2017-01-01

Technological innovation is the overall focus of NASA's Small Business Innovation Research (SBIR) program. The program invests in the development of innovative concepts and technologies to help NASA's mission directorates address critical research and development needs for Agency projects. This report highlights innovative SBIR 2015 Phase I and II projects that specifically address areas in Materials and Structures for Extreme Environments, one of six core competencies at NASA Glenn Research Center. Each article describes an innovation, defines its technical objective, and highlights NASA applications as well as commercial and industrial applications. Ten technologies are featured: metamaterials-inspired aerospace structures, metallic joining to advanced ceramic composites, multifunctional polyolefin matrix composite structures, integrated reacting fluid dynamics and predictive materials degradation models for propulsion system conditions, lightweight inflatable structural airlock (LISA), copolymer materials for fused deposition modeling 3-D printing of nonstandard plastics, Type II strained layer superlattice materials development for space-based focal plane array applications, hydrogenous polymer-regolith composites for radiation-shielding materials, a ceramic matrix composite environmental barrier coating durability model, and advanced composite truss printing for large solar array structures. This report serves as an opportunity for NASA engineers, researchers, program managers, and other personnel to learn about innovations in this technology area as well as possibilities for collaboration with innovative small businesses that could benefit NASA programs and projects.

Requiem for a Data Base System.

DTIC Science & Technology

1979-01-18

were defined -- - 2) the final syntax and semantics of QUEL were defined 3) protection was figured out 14) EQUEL was designed 5) concurrency control and...features which were not thought about in the initial design (such as concurrency control and recovery) and began worrying about distributed data...made in progress rather than on eventual corrections. Some attention is also given to the role of structured design in a data base system implementation

Photovoltaic module and module arrays

DOEpatents

Botkin, Jonathan; Graves, Simon; Lenox, Carl J. S.; Culligan, Matthew; Danning, Matt

2013-08-27

A photovoltaic (PV) module including a PV device and a frame, The PV device has a PV laminate defining a perimeter and a major plane. The frame is assembled to and encases the laminate perimeter, and includes leading, trailing, and side frame members, and an arm that forms a support face opposite the laminate. The support face is adapted for placement against a horizontal installation surface, to support and orient the laminate in a non-parallel or tilted arrangement. Upon final assembly, the laminate and the frame combine to define a unitary structure. The frame can orient the laminate at an angle in the range of 3.degree.-7.degree. from horizontal, and can be entirely formed of a polymeric material. Optionally, the arm incorporates integral feature(s) that facilitate interconnection with corresponding features of a second, identically formed PV module.

Photovoltaic module and module arrays

DOEpatents

Botkin, Jonathan [El Cerrito, CA; Graves, Simon [Berkeley, CA; Lenox, Carl J. S. [Oakland, CA; Culligan, Matthew [Berkeley, CA; Danning, Matt [Oakland, CA

2012-07-17

A photovoltaic (PV) module including a PV device and a frame. The PV device has a PV laminate defining a perimeter and a major plane. The frame is assembled to and encases the laminate perimeter, and includes leading, trailing, and side frame members, and an arm that forms a support face opposite the laminate. The support face is adapted for placement against a horizontal installation surface, to support and orient the laminate in a non-parallel or tilted arrangement. Upon final assembly, the laminate and the frame combine to define a unitary structure. The frame can orient the laminate at an angle in the range of 3.degree.-7.degree. from horizontal, and can be entirely formed of a polymeric material. Optionally, the arm incorporates integral feature(s) that facilitate interconnection with corresponding features of a second, identically formed PV module.

Engineering a Biocompatible Scaffold with Either Micrometre or Nanometre Scale Surface Topography for Promoting Protein Adsorption and Cellular Response

PubMed Central

Le, Xuan; Poinern, Gérrard Eddy Jai; Ali, Nurshahidah; Berry, Cassandra M.; Fawcett, Derek

2013-01-01

Surface topographical features on biomaterials, both at the submicrometre and nanometre scales, are known to influence the physicochemical interactions between biological processes involving proteins and cells. The nanometre-structured surface features tend to resemble the extracellular matrix, the natural environment in which cells live, communicate, and work together. It is believed that by engineering a well-defined nanometre scale surface topography, it should be possible to induce appropriate surface signals that can be used to manipulate cell function in a similar manner to the extracellular matrix. Therefore, there is a need to investigate, understand, and ultimately have the ability to produce tailor-made nanometre scale surface topographies with suitable surface chemistry to promote favourable biological interactions similar to those of the extracellular matrix. Recent advances in nanoscience and nanotechnology have produced many new nanomaterials and numerous manufacturing techniques that have the potential to significantly improve several fields such as biological sensing, cell culture technology, surgical implants, and medical devices. For these fields to progress, there is a definite need to develop a detailed understanding of the interaction between biological systems and fabricated surface structures at both the micrometre and nanometre scales. PMID:23533416

Cellular automata with object-oriented features for parallel molecular network modeling.

PubMed

Zhu, Hao; Wu, Yinghui; Huang, Sui; Sun, Yan; Dhar, Pawan

2005-06-01

Cellular automata are an important modeling paradigm for studying the dynamics of large, parallel systems composed of multiple, interacting components. However, to model biological systems, cellular automata need to be extended beyond the large-scale parallelism and intensive communication in order to capture two fundamental properties characteristic of complex biological systems: hierarchy and heterogeneity. This paper proposes extensions to a cellular automata language, Cellang, to meet this purpose. The extended language, with object-oriented features, can be used to describe the structure and activity of parallel molecular networks within cells. Capabilities of this new programming language include object structure to define molecular programs within a cell, floating-point data type and mathematical functions to perform quantitative computation, message passing capability to describe molecular interactions, as well as new operators, statements, and built-in functions. We discuss relevant programming issues of these features, including the object-oriented description of molecular interactions with molecule encapsulation, message passing, and the description of heterogeneity and anisotropy at the cell and molecule levels. By enabling the integration of modeling at the molecular level with system behavior at cell, tissue, organ, or even organism levels, the program will help improve our understanding of how complex and dynamic biological activities are generated and controlled by parallel functioning of molecular networks. Index Terms-Cellular automata, modeling, molecular network, object-oriented.

Observations and Numerical Modeling of Eddy Generation in the Mediterranean Undercurrent

NASA Astrophysics Data System (ADS)

Serra, N.; Ambar, I.; Kaese, R.

2001-12-01

In the frame of the European Union MAST III project CANIGO (Canary Islands Gibraltar Azores Observations), RAFOS floats were deployed in the Mediterranean undercurrent off south Portugal during the period from September 1997 to September 1998. An analysis of this Lagrangian approach complemented with results obtained with XBT probes and current meter data from the same project shows some of the major aspects of the flow associated with the undercurrent as well as the eddy activity related with it. Floats that stayed in the undercurrent featured a downstream deceleration and a steering by bottom topography. Three meddy formations at Cape St. Vincent could be isolated from the float data as well as the generation of dipolar structures in the Portimao Canyon, a feature not previously directly observed. The dynamical coupling of meddies and cyclones was observed for a considerable period of time. High-resolution modeling of the Mediterranean Outflow using a sigma-coordinate primitive equations ocean model (SCRUM) incorporating realistic topography and stratification reveals the adjustment of the salty plume while descending along the continental slope of the Gulf of Cadiz channeled by the topography. The model reproduces the generation of eddies in the two observed sites (cape and canyon) and the splitting of the outflow water into well-defined cores.

Intrinsic disorder mediates the diverse regulatory functions of the Cdk inhibitor p21

PubMed Central

Wang, Yuefeng; Fisher, John C.; Mathew, Rose; Ou, Li; Otieno, Steve; Sublett, Jack; Xiao, Limin; Chen, Jianhan; Roussel, Martine F.; Kriwacki, Richard W.

2011-01-01

Traditionally, well-defined three-dimensional structure was thought to be essential for protein function. However, myriad biological functions are performed by highly dynamic, intrinsically disordered proteins (IDPs). IDPs often fold upon binding their biological targets and frequently exhibit “binding diversity” by targeting multiple ligands. We sought to understand the physical basis of IDP binding diversity and herein report that the cyclin-dependent kinase (Cdk) inhibitor, p21Cip1, adaptively binds to and inhibits the various Cdk/cyclin complexes that regulate eukaryotic cell division. Based on results from NMR spectroscopy, and biochemical and cellular assays, we show that structural adaptability of a helical sub-domain within p21 termed LH enables two other sub-domains termed D1 and D2 to specifically bind conserved surface features of the cyclin and Cdk subunits, respectively, within otherwise structurally distinct Cdk/cyclin complexes. Adaptive folding upon binding is likely to mediate the diverse biological functions of the thousands of IDPs present in eukaryotes. PMID:21358637

Effects of star-shape poly(alkyl methacrylate) arm uniformity on lubricant properties

DOE PAGES

Robinson, Joshua W.; Qu, Jun; Erck, Robert; ...

2016-03-29

Star-shaped poly(alkyl methacrylate)s (PAMAs) were prepared and blended into an additive-free engine oil to assess the structure property relationship between macromolecular structure and lubricant performance. These additives were designed with a comparable number of repeating units per arm and the number of arms was varied between 3 and 6. Well-defined star-shaped PAMAs were synthesized by atom transfer radical polymerization (ATRP) via a core-first strategy from multi-functional headgroups. Observations of the polymer-oil blends suggest that stars with less than four arms are favorable as a viscosity index improver (VII), and molecular weight dominates viscosity-related effects over other structural features. Star-shaped PAMAs,more » as oil additives, effectively reduce the friction coefficient in both mixed and boundary lubrication regime. Several analogs outperformed commercial VIIs in both viscosity and friction performance. Furthermore, increased wear rates were observed for these star-shaped PAMAs in the boundary lubrication regime suggesting pressure-sensitive conformations may exist.« less

MEG-BIDS, the brain imaging data structure extended to magnetoencephalography

PubMed Central

Niso, Guiomar; Gorgolewski, Krzysztof J.; Bock, Elizabeth; Brooks, Teon L.; Flandin, Guillaume; Gramfort, Alexandre; Henson, Richard N.; Jas, Mainak; Litvak, Vladimir; T. Moreau, Jeremy; Oostenveld, Robert; Schoffelen, Jan-Mathijs; Tadel, Francois; Wexler, Joseph; Baillet, Sylvain

2018-01-01

We present a significant extension of the Brain Imaging Data Structure (BIDS) to support the specific aspects of magnetoencephalography (MEG) data. MEG measures brain activity with millisecond temporal resolution and unique source imaging capabilities. So far, BIDS was a solution to organise magnetic resonance imaging (MRI) data. The nature and acquisition parameters of MRI and MEG data are strongly dissimilar. Although there is no standard data format for MEG, we propose MEG-BIDS as a principled solution to store, organise, process and share the multidimensional data volumes produced by the modality. The standard also includes well-defined metadata, to facilitate future data harmonisation and sharing efforts. This responds to unmet needs from the multimodal neuroimaging community and paves the way to further integration of other techniques in electrophysiology. MEG-BIDS builds on MRI-BIDS, extending BIDS to a multimodal data structure. We feature several data-analytics software that have adopted MEG-BIDS, and a diverse sample of open MEG-BIDS data resources available to everyone. PMID:29917016

MEG-BIDS, the brain imaging data structure extended to magnetoencephalography.

PubMed

Niso, Guiomar; Gorgolewski, Krzysztof J; Bock, Elizabeth; Brooks, Teon L; Flandin, Guillaume; Gramfort, Alexandre; Henson, Richard N; Jas, Mainak; Litvak, Vladimir; T Moreau, Jeremy; Oostenveld, Robert; Schoffelen, Jan-Mathijs; Tadel, Francois; Wexler, Joseph; Baillet, Sylvain

2018-06-19

We present a significant extension of the Brain Imaging Data Structure (BIDS) to support the specific aspects of magnetoencephalography (MEG) data. MEG measures brain activity with millisecond temporal resolution and unique source imaging capabilities. So far, BIDS was a solution to organise magnetic resonance imaging (MRI) data. The nature and acquisition parameters of MRI and MEG data are strongly dissimilar. Although there is no standard data format for MEG, we propose MEG-BIDS as a principled solution to store, organise, process and share the multidimensional data volumes produced by the modality. The standard also includes well-defined metadata, to facilitate future data harmonisation and sharing efforts. This responds to unmet needs from the multimodal neuroimaging community and paves the way to further integration of other techniques in electrophysiology. MEG-BIDS builds on MRI-BIDS, extending BIDS to a multimodal data structure. We feature several data-analytics software that have adopted MEG-BIDS, and a diverse sample of open MEG-BIDS data resources available to everyone.

Proflavine Hemisulfate as a Fluorescent Contrast Agent for Point-of-Care Cytology

PubMed Central

Prieto, Sandra P.; Powless, Amy J.; Boice, Jackson W.; Sharma, Shree G.; Muldoon, Timothy J.

2015-01-01

Proflavine hemisulfate, an acridine-derived fluorescent dye, can be used as a rapid stain for cytologic examination of biological specimens. Proflavine fluorescently stains cell nuclei and cytoplasmic structures, owing to its small amphipathic structure and ability to intercalate DNA. In this manuscript, we demonstrated the use of proflavine as a rapid cytologic dye on a number of specimens, including normal exfoliated oral squamous cells, cultured human oral squamous carcinoma cells, and leukocytes derived from whole blood specimens using a custom-built, portable, LED-illuminated fluorescence microscope. No incubation time was needed after suspending cells in 0.01% (w/v) proflavine diluted in saline. Images of proflavine stained oral cells had clearly visible nuclei as well as granular cytoplasm, while stained leukocytes exhibited bright nuclei, and highlighted the multilobar nature of nuclei in neutrophils. We also demonstrated the utility of quantitative analysis of digital images of proflavine stained cells, which can be used to detect significant morphological differences between different cell types. Proflavine stained oral cells have well-defined nuclei and cell membranes which allowed for quantitative analysis of nuclear to cytoplasmic ratios, as well as image texture analysis to extract quantitative image features. PMID:25962131

Proflavine Hemisulfate as a Fluorescent Contrast Agent for Point-of-Care Cytology.

PubMed

Prieto, Sandra P; Powless, Amy J; Boice, Jackson W; Sharma, Shree G; Muldoon, Timothy J

2015-01-01

Proflavine hemisulfate, an acridine-derived fluorescent dye, can be used as a rapid stain for cytologic examination of biological specimens. Proflavine fluorescently stains cell nuclei and cytoplasmic structures, owing to its small amphipathic structure and ability to intercalate DNA. In this manuscript, we demonstrated the use of proflavine as a rapid cytologic dye on a number of specimens, including normal exfoliated oral squamous cells, cultured human oral squamous carcinoma cells, and leukocytes derived from whole blood specimens using a custom-built, portable, LED-illuminated fluorescence microscope. No incubation time was needed after suspending cells in 0.01% (w/v) proflavine diluted in saline. Images of proflavine stained oral cells had clearly visible nuclei as well as granular cytoplasm, while stained leukocytes exhibited bright nuclei, and highlighted the multilobar nature of nuclei in neutrophils. We also demonstrated the utility of quantitative analysis of digital images of proflavine stained cells, which can be used to detect significant morphological differences between different cell types. Proflavine stained oral cells have well-defined nuclei and cell membranes which allowed for quantitative analysis of nuclear to cytoplasmic ratios, as well as image texture analysis to extract quantitative image features.

Deterministic composite nanophotonic lattices in large area for broadband applications

NASA Astrophysics Data System (ADS)

Xavier, Jolly; Probst, Jürgen; Becker, Christiane

2016-12-01

Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm2) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates.

Deterministic composite nanophotonic lattices in large area for broadband applications

PubMed Central

Xavier, Jolly; Probst, Jürgen; Becker, Christiane

2016-01-01

Exotic manipulation of the flow of photons in nanoengineered materials with an aperiodic distribution of nanostructures plays a key role in efficiency-enhanced broadband photonic and plasmonic technologies for spectrally tailorable integrated biosensing, nanostructured thin film solarcells, white light emitting diodes, novel plasmonic ensembles etc. Through a generic deterministic nanotechnological route here we show subwavelength-scale silicon (Si) nanostructures on nanoimprinted glass substrate in large area (4 cm2) with advanced functional features of aperiodic composite nanophotonic lattices. These nanophotonic aperiodic lattices have easily tailorable supercell tiles with well-defined and discrete lattice basis elements and they show rich Fourier spectra. The presented nanophotonic lattices are designed functionally akin to two-dimensional aperiodic composite lattices with unconventional flexibility- comprising periodic photonic crystals and/or in-plane photonic quasicrystals as pattern design subsystems. The fabricated composite lattice-structured Si nanostructures are comparatively analyzed with a range of nanophotonic structures with conventional lattice geometries of periodic, disordered random as well as in-plane quasicrystalline photonic lattices with comparable lattice parameters. As a proof of concept of compatibility with advanced bottom-up liquid phase crystallized (LPC) Si thin film fabrication, the experimental structural analysis is further extended to double-side-textured deterministic aperiodic lattice-structured 10 μm thick large area LPC Si film on nanoimprinted substrates. PMID:27941869

Core-Shell PdPb@Pd Aerogels with Multiply-Twinned Intermetallic Nanostructures: Facile Synthesis with Accelerated Gelation Kinetics and Their Enhanced Electrocatalytic Properties

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

Zhu, Chengzhou; Shi, Qiurong; Fu, Shaofang

2018-04-04

Delicately engineering the well-defined noble metal aerogels with favorable structural and compositional features is of vital importance for wide applications. Here, we reported one-pot and facile method for synthesizing core-shell PdPb@Pd hydrogels/aerogels with multiply-twinned grains and ordered intermetallic phase using sodium hypophosphite as a multifunctional reducing agent. Due to the accelerated gelation kinetics induced by increased reaction temperature and specific function of sodium hypophosphite, the formation of hydrogels can be completed within 4 hrs, far faster than the previous reports. Owe to their unique porous structure and favorable geometric and electronic effects, the optimized PdPb@Pd aerogels exhibit enhanced electrochemical performancemore » towards ethylene glycol oxidation with a mass activity of 5.8 times higher than Pd black.« less

Novel Strategy for Photopatterning Emissive Polymer Brushes for Organic Light Emitting Diode Applications

PubMed Central

2017-01-01

A light-mediated methodology to grow patterned, emissive polymer brushes with micron feature resolution is reported and applied to organic light emitting diode (OLED) displays. Light is used for both initiator functionalization of indium tin oxide and subsequent atom transfer radical polymerization of methacrylate-based fluorescent and phosphorescent iridium monomers. The iridium centers play key roles in photocatalyzing and mediating polymer growth while also emitting light in the final OLED structure. The scope of the presented procedure enables the synthesis of a library of polymers with emissive colors spanning the visible spectrum where the dopant incorporation, position of brush growth, and brush thickness are readily controlled. The chain-ends of the polymer brushes remain intact, affording subsequent chain extension and formation of well-defined diblock architectures. This high level of structure and function control allows for the facile preparation of random ternary copolymers and red–green–blue arrays to yield white emission. PMID:28691078

The hierarchical expert tuning of PID controllers using tools of soft computing.

PubMed

Karray, F; Gueaieb, W; Al-Sharhan, S

2002-01-01

We present soft computing-based results pertaining to the hierarchical tuning process of PID controllers located within the control loop of a class of nonlinear systems. The results are compared with PID controllers implemented either in a stand alone scheme or as a part of conventional gain scheduling structure. This work is motivated by the increasing need in the industry to design highly reliable and efficient controllers for dealing with regulation and tracking capabilities of complex processes characterized by nonlinearities and possibly time varying parameters. The soft computing-based controllers proposed are hybrid in nature in that they integrate within a well-defined hierarchical structure the benefits of hard algorithmic controllers with those having supervisory capabilities. The controllers proposed also have the distinct features of learning and auto-tuning without the need for tedious and computationally extensive online systems identification schemes.

Novel Strategy for Photopatterning Emissive Polymer Brushes for Organic Light Emitting Diode Applications.

PubMed

Page, Zachariah A; Narupai, Benjaporn; Pester, Christian W; Bou Zerdan, Raghida; Sokolov, Anatoliy; Laitar, David S; Mukhopadhyay, Sukrit; Sprague, Scott; McGrath, Alaina J; Kramer, John W; Trefonas, Peter; Hawker, Craig J

2017-06-28

A light-mediated methodology to grow patterned, emissive polymer brushes with micron feature resolution is reported and applied to organic light emitting diode (OLED) displays. Light is used for both initiator functionalization of indium tin oxide and subsequent atom transfer radical polymerization of methacrylate-based fluorescent and phosphorescent iridium monomers. The iridium centers play key roles in photocatalyzing and mediating polymer growth while also emitting light in the final OLED structure. The scope of the presented procedure enables the synthesis of a library of polymers with emissive colors spanning the visible spectrum where the dopant incorporation, position of brush growth, and brush thickness are readily controlled. The chain-ends of the polymer brushes remain intact, affording subsequent chain extension and formation of well-defined diblock architectures. This high level of structure and function control allows for the facile preparation of random ternary copolymers and red-green-blue arrays to yield white emission.

Natural supramolecular building blocks: from virus coat proteins to viral nanoparticles.

PubMed

Liu, Zhi; Qiao, Jing; Niu, Zhongwei; Wang, Qian

2012-09-21

Viruses belong to a fascinating class of natural supramolecular structures, composed of multiple copies of coat proteins (CPs) that assemble into different shapes with a variety of sizes from tens to hundreds of nanometres. Because of their advantages including simple/economic production, well-defined structural features, unique shapes and sizes, genetic programmability and robust chemistries, recently viruses and virus-like nanoparticles (VLPs) have been used widely in biomedical applications and materials synthesis. In this critical review, we highlight recent advances in the use of virus coat proteins (VCPs) and viral nanoparticles (VNPs) as building blocks in self-assembly studies and materials development. We first discuss the self-assembly of VCPs into VLPs, which can efficiently incorporate a variety of different materials as cores inside the viral protein shells. Then, the self-assembly of VNPs at surfaces or interfaces is summarized. Finally, we discuss the co-assembly of VNPs with different functional materials (178 references).

A TALE-inspired computational screen for proteins that contain approximate tandem repeats.

PubMed

Perycz, Malgorzata; Krwawicz, Joanna; Bochtler, Matthias

2017-01-01

TAL (transcription activator-like) effectors (TALEs) are bacterial proteins that are secreted from bacteria to plant cells to act as transcriptional activators. TALEs and related proteins (RipTALs, BurrH, MOrTL1 and MOrTL2) contain approximate tandem repeats that differ in conserved positions that define specificity. Using PERL, we screened ~47 million protein sequences for TALE-like architecture characterized by approximate tandem repeats (between 30 and 43 amino acids in length) and sequence variability in conserved positions, without requiring sequence similarity to TALEs. Candidate proteins were scored according to their propensity for nuclear localization, secondary structure, repeat sequence complexity, as well as covariation and predicted structural proximity of variable residues. Biological context was tentatively inferred from co-occurrence of other domains and interactome predictions. Approximate repeats with TALE-like features that merit experimental characterization were found in a protein of chestnut blight fungus, a eukaryotic plant pathogen.

A TALE-inspired computational screen for proteins that contain approximate tandem repeats

PubMed Central

Krwawicz, Joanna

2017-01-01

TAL (transcription activator-like) effectors (TALEs) are bacterial proteins that are secreted from bacteria to plant cells to act as transcriptional activators. TALEs and related proteins (RipTALs, BurrH, MOrTL1 and MOrTL2) contain approximate tandem repeats that differ in conserved positions that define specificity. Using PERL, we screened ~47 million protein sequences for TALE-like architecture characterized by approximate tandem repeats (between 30 and 43 amino acids in length) and sequence variability in conserved positions, without requiring sequence similarity to TALEs. Candidate proteins were scored according to their propensity for nuclear localization, secondary structure, repeat sequence complexity, as well as covariation and predicted structural proximity of variable residues. Biological context was tentatively inferred from co-occurrence of other domains and interactome predictions. Approximate repeats with TALE-like features that merit experimental characterization were found in a protein of chestnut blight fungus, a eukaryotic plant pathogen. PMID:28617832

Atypical β-Catenin Activated Child Hepatocellular Tumor

PubMed Central

Unlu, Havva Akmaz; Karakus, Esra; Yazal Erdem, Arzu; Yakut, Zeynep Ilerisoy

2015-01-01

Hepatocellular adenomas are a benign, focal, hepatic neoplasm that have been divided into four subtypes according to the genetic and pathological features. The β-catenin activated subtype accounts for 10-15% of all hepatocellular adenomas and specific magnetic resonance imaging features have been defined for different hepatocellular adenomas subtypes. The current study aimed to report the magnetic resonance imaging features of a well differentiated hepatocellular carcinoma that developed on the basis of β-catenin activated hepatocellular adenomas in a child. In this case, atypical diffuse steatosis was determined in the lesion. In the literature, diffuse steatosis, which is defined as a feature of the hepatocyte nuclear factor-1α-inactivated hepatocellular adenomas subtype, has not been previously reported in any β-catenin activated hepatocellular adenomas case. Interlacing magnetic resonance imaging findings between subtypes show that there are still many mysteries about this topic and larger studies are warranted. PMID:26157702

A review on principles, theory and practices of 2D-QSAR.

PubMed

Roy, Kunal; Das, Rudra Narayan

2014-01-01

The central axiom of science purports the explanation of every natural phenomenon using all possible logics coming from pure as well as mixed scientific background. The quantitative structure-activity relationship (QSAR) analysis is a study correlating the behavioral manifestation of compounds with their structures employing the interdisciplinary knowledge of chemistry, mathematics, biology as well as physics. Several studies have attempted to mathematically correlate the chemistry and property (physicochemical/ biological/toxicological) of molecules using various computationally or experimentally derived quantitative parameters termed as descriptors. The dimensionality of the descriptors depends on the type of algorithm employed and defines the nature of QSAR analysis. The most interesting feature of predictive QSAR models is that the behavior of any new or even hypothesized molecule can be predicted by the use of the mathematical equations. The phrase "2D-QSAR" signifies development of QSAR models using 2D-descriptors. Such predictor variables are the most widely practised ones because of their simple and direct mathematical algorithmic nature involving no time consuming energy computations and having reproducible operability. 2D-descriptors have a deluge of contributions in extracting chemical attributes and they are also capable of representing the 3D molecular features to some extent; although in no case they should be considered as the ultimate one, since they often suffer from the problems of intercorrelation, insufficient chemical information as well as lack of interpretation. However, by following rational approaches, novel 2D-descriptors may be developed to obviate various existing problems giving potential 2D-QSAR equations, thereby solving the innumerable chemical mysteries still unexplored.

Controlling the intermediate structure of an ionic liquid for f-block element separations

DOE PAGES

Abney, Carter W.; Do, Changwoo; Luo, Huimin; ...

2017-04-19

Recent research has revealed molecular structure beyond the inner coordination sphere is essential in defining the performance of separations processes, but nevertheless remains largely unexplored. Here we apply small angle neutron scattering (SANS) and x-ray absorption fine structure (XAFS) spectroscopy to investigate the structure of an ionic liquid system studied for f-block element separations. SANS data reveal dramatic changes in the ionic liquid microstructure (~150 Å) which we demonstrate can be controlled by judicious selection of counter ion. Mesoscale structural features (> 500 Å) are also observed as a function of metal concentration. XAFS analysis supports formation of extended aggregatemore » structures, similar to those observed in traditional solvent extraction processes, and suggest additional parallels may be drawn from further study. As a result, achieving precise tunability over the intermediate features is an important development in controlling mesoscale structure and realizing advanced new forms of soft matter.« less

Safeguarding End-User Military Software

DTIC Science & Technology

2014-12-04

product lines using composi- tional symbolic execution [17] Software product lines are families of products defined by feature commonality and vari...ability, with a well-managed asset base. Recent work in testing of software product lines has exploited similarities across development phases to reuse...feature dependence graph to extract the set of possible interaction trees in a product family. It composes these to incrementally and symbolically

SUBCELLULAR PHARMACOKINETICS AND ITS POTENTIAL FOR LIBRARY FOCUSING (R826652)

EPA Science Inventory

Abstract

Subcellular pharmacokinetics (SP) optimizes biology-related factors in the design of libraries for high throughput screening by defining comparatively narrow ranges of properties (lipophilicity, amphiphilicity, acidity, reactivity, 3D-structural features) of t...

Three-dimensional Biomimetic Technology: Novel Biorubber Creates Defined Micro- and Macro-scale Architectures in Collagen Hydrogels

PubMed Central

Rodriguez-Rivera, Veronica; Weidner, John W.; Yost, Michael J.

2016-01-01

Tissue scaffolds play a crucial role in the tissue regeneration process. The ideal scaffold must fulfill several requirements such as having proper composition, targeted modulus, and well-defined architectural features. Biomaterials that recapitulate the intrinsic architecture of in vivo tissue are vital for studying diseases as well as to facilitate the regeneration of lost and malformed soft tissue. A novel biofabrication technique was developed which combines state of the art imaging, three-dimensional (3D) printing, and selective enzymatic activity to create a new generation of biomaterials for research and clinical application. The developed material, Bovine Serum Albumin rubber, is reaction injected into a mold that upholds specific geometrical features. This sacrificial material allows the adequate transfer of architectural features to a natural scaffold material. The prototype consists of a 3D collagen scaffold with 4 and 3 mm channels that represent a branched architecture. This paper emphasizes the use of this biofabrication technique for the generation of natural constructs. This protocol utilizes a computer-aided software (CAD) to manufacture a solid mold which will be reaction injected with BSA rubber followed by the enzymatic digestion of the rubber, leaving its architectural features within the scaffold material. PMID:26967145

Three-dimensional Biomimetic Technology: Novel Biorubber Creates Defined Micro- and Macro-scale Architectures in Collagen Hydrogels.

PubMed

Rodriguez-Rivera, Veronica; Weidner, John W; Yost, Michael J

2016-02-12

Tissue scaffolds play a crucial role in the tissue regeneration process. The ideal scaffold must fulfill several requirements such as having proper composition, targeted modulus, and well-defined architectural features. Biomaterials that recapitulate the intrinsic architecture of in vivo tissue are vital for studying diseases as well as to facilitate the regeneration of lost and malformed soft tissue. A novel biofabrication technique was developed which combines state of the art imaging, three-dimensional (3D) printing, and selective enzymatic activity to create a new generation of biomaterials for research and clinical application. The developed material, Bovine Serum Albumin rubber, is reaction injected into a mold that upholds specific geometrical features. This sacrificial material allows the adequate transfer of architectural features to a natural scaffold material. The prototype consists of a 3D collagen scaffold with 4 and 3 mm channels that represent a branched architecture. This paper emphasizes the use of this biofabrication technique for the generation of natural constructs. This protocol utilizes a computer-aided software (CAD) to manufacture a solid mold which will be reaction injected with BSA rubber followed by the enzymatic digestion of the rubber, leaving its architectural features within the scaffold material.

Nanotopography-guided tissue engineering and regenerative medicine☆

PubMed Central

Kim, Hong Nam; Jiao, Alex; Hwang, Nathaniel S.; Kim, Min Sung; Kang, Do Hyun; Kim, Deok-Ho; Suh, Kahp-Yang

2017-01-01

Human tissues are intricate ensembles of multiple cell types embedded in complex and well-defined structures of the extracellular matrix (ECM). The organization of ECM is frequently hierarchical from nano to macro, with many proteins forming large scale structures with feature sizes up to several hundred microns. Inspired from these natural designs of ECM, nanotopography-guided approaches have been increasingly investigated for the last several decades. Results demonstrate that the nanotopography itself can activate tissue-specific function in vitro as well as promote tissue regeneration in vivo upon transplantation. In this review, we provide an extensive analysis of recent efforts to mimic functional nanostructures in vitro for improved tissue engineering and regeneration of injured and damaged tissues. We first characterize the role of various nanostructures in human tissues with respect to each tissue-specific function. Then, we describe various fabrication methods in terms of patterning principles and material characteristics. Finally, we summarize the applications of nanotopography to various tissues, which are classified into four types depending on their functions: protective, mechano-sensitive, electro-active, and shear stress-sensitive tissues. Some limitations and future challenges are briefly discussed at the end. PMID:22921841

Growth-dissolution-regrowth transitions of Fe3O4 nanoparticles as building blocks for 3D magnetic nanoparticle clusters under hydrothermal conditions.

PubMed

Lin, Mouhong; Huang, Haoliang; Liu, Zuotao; Liu, Yingju; Ge, Junbin; Fang, Yueping

2013-12-10

Magnetic nanoparticle clusters (MNCs) are a class of secondary structural materials that comprise chemically defined nanoparticles assembled into clusters of defined size. Herein, MNCs are fabricated through a one-pot solvothermal reaction featuring self-limiting assembly of building blocks and the controlled reorganization process. Such growth-dissolution-regrowth fabrication mechanism overcomes some limitations of conventional solvothermal fabrication methods with regard to restricted available feature size and structural complexity, which can be extended to other oxides (as long as one can be chelated by EDTA-2Na). Based on this method, the nanoparticle size of MNCs is tuned between 6.8 and 31.2 nm at a fixed cluster diameter of 120 nm, wherein the critical size for superparamagnetic-ferromagnetic transition is estimated from 13.5 to 15.7 nm. Control over the nature and secondary structure of MNCs gives an excellent model system to understand the nanoparticle size-dependent magnetic properties of MNCs. MNCs have potential applications in many different areas, while this work evaluates their cytotoxicity and Pb(2+) adsorption capacity as initial application study.

Solid energy calibration standards for P K-edge XANES: electronic structure analysis of PPh4Br.

PubMed

Blake, Anastasia V; Wei, Haochuan; Donahue, Courtney M; Lee, Kyounghoon; Keith, Jason M; Daly, Scott R

2018-03-01

P K-edge X-ray absorption near-edge structure (XANES) spectroscopy is a powerful method for analyzing the electronic structure of organic and inorganic phosphorus compounds. Like all XANES experiments, P K-edge XANES requires well defined and readily accessible calibration standards for energy referencing so that spectra collected at different beamlines or under different conditions can be compared. This is especially true for ligand K-edge X-ray absorption spectroscopy, which has well established energy calibration standards for Cl (Cs 2 CuCl 4 ) and S (Na 2 S 2 O 3 ·5H 2 O), but not neighboring P. This paper presents a review of common P K-edge XANES energy calibration standards and analysis of PPh 4 Br as a potential alternative. The P K-edge XANES region of commercially available PPh 4 Br revealed a single, highly resolved pre-edge feature with a maximum at 2146.96 eV. PPh 4 Br also showed no evidence of photodecomposition when repeatedly scanned over the course of several days. In contrast, we found that PPh 3 rapidly decomposes under identical conditions. Density functional theory calculations performed on PPh 3 and PPh 4 + revealed large differences in the molecular orbital energies that were ascribed to differences in the phosphorus oxidation state (III versus V) and molecular charge (neutral versus +1). Time-dependent density functional theory calculations corroborated the experimental data and allowed the spectral features to be assigned. The first pre-edge feature in the P K-edge XANES spectrum of PPh 4 Br was assigned to P 1s → P-C π* transitions, whereas those at higher energy were P 1s → P-C σ*. Overall, the analysis suggests that PPh 4 Br is an excellent alternative to other solid energy calibration standards commonly used in P K-edge XANES experiments.

Manifold learning-based subspace distance for machinery damage assessment

NASA Astrophysics Data System (ADS)

Sun, Chuang; Zhang, Zhousuo; He, Zhengjia; Shen, Zhongjie; Chen, Binqiang

2016-03-01

Damage assessment is very meaningful to keep safety and reliability of machinery components, and vibration analysis is an effective way to carry out the damage assessment. In this paper, a damage index is designed by performing manifold distance analysis on vibration signal. To calculate the index, vibration signal is collected firstly, and feature extraction is carried out to obtain statistical features that can capture signal characteristics comprehensively. Then, manifold learning algorithm is utilized to decompose feature matrix to be a subspace, that is, manifold subspace. The manifold learning algorithm seeks to keep local relationship of the feature matrix, which is more meaningful for damage assessment. Finally, Grassmann distance between manifold subspaces is defined as a damage index. The Grassmann distance reflecting manifold structure is a suitable metric to measure distance between subspaces in the manifold. The defined damage index is applied to damage assessment of a rotor and the bearing, and the result validates its effectiveness for damage assessment of machinery component.

Detection and characterization of submesoscale eddies off the southwestern coast of Puerto Rico

NASA Astrophysics Data System (ADS)

Pomales, L.; Morell, J. M.

2016-02-01

Ubiquitous submesoscale eddies (SE) have been reported to play a major role in upper ocean stirring, mixing and littoral water circulation. Remotely sensed ocean color imagery provided the first views of coherent submesoscale features all around the Puerto Rico coast. Operational numerical models for the region such as NCOM AMSEAS (3km and 3-hours) and global HYCOM (9km and 3-hours) are not able to resolve these. Deployments of High-Frequency Radars (HFRs) off the southwest coast of Puerto Rico now make possible hourly surface current observations which allow detection and characterization of the two dimensional structure of these submesoscale features. Numerical detection of these features has been achieved by the implementation of a vector geometry identification scheme on the HFR data, which has recently led to an exploratory analysis of a cyclonic persistent SE structure. The detected cyclone had a strong well-defined inner core structure coherency and a 13.86km radius, SE was manually confirmed using USF's Alternative Floating Algae Index satellite imagery (1km and daily), which showed the detected eddy center location had an offset of <8km from the real eddy center which was estimated thanks to a patch of floating algae, presumably Sargassum sp., entrained in its center. NCOM AMSEAS or HYCOM did not resolve the observed SE. Further work will focus on the 3D description of these SEs. HFR vector fields, XBT's, CTD's and Glider profile data will be used to characterize the horizontal and vertical extent of the dynamics involved with these SEs.

Effects of Spatial and Feature Attention on Disparity-Rendered Structure-From-Motion Stimuli in the Human Visual Cortex

PubMed Central

Ip, Ifan Betina; Bridge, Holly; Parker, Andrew J.

2014-01-01

An important advance in the study of visual attention has been the identification of a non-spatial component of attention that enhances the response to similar features or objects across the visual field. Here we test whether this non-spatial component can co-select individual features that are perceptually bound into a coherent object. We combined human psychophysics and functional magnetic resonance imaging (fMRI) to demonstrate the ability to co-select individual features from perceptually coherent objects. Our study used binocular disparity and visual motion to define disparity structure-from-motion (dSFM) stimuli. Although the spatial attention system induced strong modulations of the fMRI response in visual regions, the non-spatial system’s ability to co-select features of the dSFM stimulus was less pronounced and variable across subjects. Our results demonstrate that feature and global feature attention effects are variable across participants, suggesting that the feature attention system may be limited in its ability to automatically select features within the attended object. Careful comparison of the task design suggests that even minor differences in the perceptual task may be critical in revealing the presence of global feature attention. PMID:24936974

Characteristics of sports-based youth development programs.

PubMed

Perkins, Daniel F; Noam, Gil G

2007-01-01

The term "sports-based youth development programs" is coined and defined in the context of the community youth development framework. Sports-based youth development programs are out-of-school-time programs that use a particular sport to facilitate learning and life skill development in youth. Community youth development programs use a community youth development approach to create opportunities for youth to connect to others, develop skills, and use those skills to contribute to their communities. This, in turn, increases their ability to succeed. The authors describe how sports-based youth development programs can be contexts that promote positive youth development. The features of positive developmental settings for youth from the work of the National Research Council and the Institute of Medicine, as well as the features identified by other researchers, are presented in the context of sports-based youth development programs. For example, a sports program that provides appropriate structure has delineated clear rules, expectations, and responsibilities for youth, parents, coaches, officials, and other organizers.

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

Eads, Damian Ryan; Rosten, Edward; Helmbold, David

The authors present BEAMER: a new spatially exploitative approach to learning object detectors which shows excellent results when applied to the task of detecting objects in greyscale aerial imagery in the presence of ambiguous and noisy data. There are four main contributions used to produce these results. First, they introduce a grammar-guided feature extraction system, enabling the exploration of a richer feature space while constraining the features to a useful subset. This is specified with a rule-based generative grammer crafted by a human expert. Second, they learn a classifier on this data using a newly proposed variant of AdaBoost whichmore » takes into account the spatially correlated nature of the data. Third, they perform another round of training to optimize the method of converting the pixel classifications generated by boosting into a high quality set of (x,y) locations. lastly, they carefully define three common problems in object detection and define two evaluation criteria that are tightly matched to these problems. Major strengths of this approach are: (1) a way of randomly searching a broad feature space, (2) its performance when evaluated on well-matched evaluation criteria, and (3) its use of the location prediction domain to learn object detectors as well as to generate detections that perform well on several tasks: object counting, tracking, and target detection. They demonstrate the efficacy of BEAMER with a comprehensive experimental evaluation on a challenging data set.« less

A feature-based developmental model of the infant brain in structural MRI.

PubMed

Toews, Matthew; Wells, William M; Zöllei, Lilla

2012-01-01

In this paper, anatomical development is modeled as a collection of distinctive image patterns localized in space and time. A Bayesian posterior probability is defined over a random variable of subject age, conditioned on data in the form of scale-invariant image features. The model is automatically learned from a large set of images exhibiting significant variation, used to discover anatomical structure related to age and development, and fit to new images to predict age. The model is applied to a set of 230 infant structural MRIs of 92 subjects acquired at multiple sites over an age range of 8-590 days. Experiments demonstrate that the model can be used to identify age-related anatomical structure, and to predict the age of new subjects with an average error of 72 days.

Heterogeneous Amyloid β-Sheet Polymorphs Identified on Hydrogen Bond Promoting Surfaces Using 2D SFG Spectroscopy.

PubMed

Ho, Jia-Jung; Ghosh, Ayanjeet; Zhang, Tianqi O; Zanni, Martin T

2018-02-08

Two-dimensional sum-frequency generation spectroscopy (2D SFG) is used to study the structures of the pentapeptide FGAIL on hydrogen bond promoting surfaces. FGAIL is the most amyloidogenic portion of the human islet amyloid polypeptide (hIAPP or amylin). In the presence of a pure gold surface, FGAIL does not form ordered structures. When the gold is coated with a self-assembled monolayer of mercaptobenzoic acid (MBA), 2D SFG spectra reveal features associated with β-sheets. Also observed are cross peaks between the FGAIL peptides and the carboxylic acid groups of the MBA monolayer, indicating that the peptides are in close contact with the surface headgroups. In the second set of samples, FGAIL peptides chemically ligated to the MBA monolayer also exhibited β-sheet features but with a much simpler spectrum. From simulations of the experiments, we conclude that the hydrogen bond promoting surface catalyzes the formation of both parallel and antiparallel β-sheet structures with several different orientations. When ligated, parallel sheets with only a single orientation are the primary structure. Thus, this hydrogen bond promoting surface creates a heterogeneous distribution of polymorph structures, consistent with a concentration effect that allows nucleation of many different amyloid seeding structures. A single well-defined seed favors one polymorph over the others, showing that the concentrating influence of a membrane can be counterbalanced by factors that favor directed fiber growth. These experiments lay the foundation for the measurement and interpretation of β-sheet structures with heterodyne-detected 2D SFG spectroscopy. The results of this model system suggest that a heterogeneous distribution of polymorphs found in nature are an indication of nonselective amyloid aggregation whereas a narrow distribution of polymorph structures is consistent with a specific protein or lipid interaction that directs fiber growth.

Ultrastructure of canine vasoformative tumors.

PubMed

Madewell, B R; Griffey, S M; Munn, R J

1992-01-01

The transmission electron microscope was used to examine 20 spontaneous canine hemangiosarcomas or hemangiopericytomas in order to define their fine ultrastructural features, and to compare those features with descriptions of human counterpart neoplasms. From specimen to specimen the neoplasms examined showed considerable structural heterogeneity but, in composite, appeared similar to the prototype human tumors. These data suggest that the canine hemangiosarcoma and hemangiopericytoma might serve as comparative models for studies of the morphogenesis of vasoformative neoplasms.

Spontaneous Discovery and Use of Categorical Structures

DTIC Science & Technology

1992-02-15

must be defined by a set of necessary and sufficient features, an assumption that has been strongly criticized in recent years (e.g., Wittgenstein ...J.: Lawrence Erlbaum Associates. Smith, E. E., & Medin, D. L. (1981). Categories and concepts. Cambridge, MA: Harvard University Press. Wittgenstein

Measurement and simulation of the impact of coherent synchrotron radiation on the Jefferson Laboratory energy recovery linac electron beam

NASA Astrophysics Data System (ADS)

Hall, C. C.; Biedron, S. G.; Edelen, A. L.; Milton, S. V.; Benson, S.; Douglas, D.; Li, R.; Tennant, C. D.; Carlsten, B. E.

2015-03-01

In an experiment conducted on the Jefferson Laboratory IR free-electron laser driver, the effects of coherent synchrotron radiation (CSR) on beam quality were studied. The primary goal of this work was to explore CSR output and effect on the beam with variation of the bunch compression in the IR recirculator. Here we examine the impact of CSR on the average energy loss as a function of bunch compression as well as the impact of CSR on the energy spectrum of the bunch. Simulation of beam dynamics in the machine, including the one-dimensional CSR model, shows very good agreement with the measured effect of CSR on the average energy loss as a function of compression. Finally, a well-defined structure is observed in the energy spectrum with a feature in the spectrum that varies as a function of the compression. This effect is examined in simulations, as well, and a simple explanation for the variation is proposed.

Measurement and simulation of the impact of coherent synchrotron radiation on the Jefferson Laboratory energy recovery linac electron beam

DOE PAGES

Hall, C C.; Biedron, S G.; Edelen, A L.; ...

2015-03-09

In an experiment conducted on the Jefferson Laboratory IR free-electron laser driver, the effects of coherent synchrotron radiation (CSR) on beam quality were studied. The primary goal of this work was to explore CSR output and effect on the beam with variation of the bunch compression in the IR recirculator. Here we examine the impact of CSR on the average energy loss as a function of bunch compression as well as the impact of CSR on the energy spectrum of the bunch. Simulation of beam dynamics in the machine, including the one-dimensional CSR model, shows very good agreement with themore » measured effect of CSR on the average energy loss as a function of compression. Finally, a well-defined structure is observed in the energy spectrum with a feature in the spectrum that varies as a function of the compression. This effect is examined in simulations, as well, and a simple explanation for the variation is proposed.« less

Polarized XANES Monitors Femtosecond Structural Evolution of Photoexcited Vitamin B 12

DOE PAGES

Miller, Nicholas A.; Deb, Aniruddha; Alonso-Mori, Roberto; ...

2017-01-30

Ultrafast, polarization-selective time-resolved X-ray absorption near-edge structure (XANES) was used to characterize the photochemistry of vitamin B 12, cyanocobalamin (CNCbl), in solution. Cobalamins are important biological cofactors involved in methyl transfer, radical rearrangement, and light-activated gene regulation, while also holding promise as light-activated agents for spatiotemporal controlled delivery of therapeutics. We introduce polarized femtosecond XANES, combined with UV–visible spectroscopy, to reveal sequential structural evolution of CNCbl in the excited electronic state. Femtosecond polarized XANES provides the crucial structural dynamics link between computed potential energy surfaces and optical transient absorption spectroscopy. Polarization selectivity can be used to uniquely identify electronic contributionsmore » and structural changes, even in isotropic samples when well-defined electronic transitions are excited. Our XANES measurements reveal that the structural changes upon photoexcitation occur mainly in the axial direction, where elongation of the axial Co–CN bond and Co–N Im bond on a 110 fs time scale is followed by corrin ring relaxation on a 260 fs time scale. In conclusion, these observations expose features of the potential energy surfaces controlling cobalamin reactivity and deactivation.« less

Polarized XANES Monitors Femtosecond Structural Evolution of Photoexcited Vitamin B 12

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

Miller, Nicholas A.; Deb, Aniruddha; Alonso-Mori, Roberto

Ultrafast, polarization-selective time-resolved X-ray absorption near-edge structure (XANES) was used to characterize the photochemistry of vitamin B 12, cyanocobalamin (CNCbl), in solution. Cobalamins are important biological cofactors involved in methyl transfer, radical rearrangement, and light-activated gene regulation, while also holding promise as light-activated agents for spatiotemporal controlled delivery of therapeutics. We introduce polarized femtosecond XANES, combined with UV–visible spectroscopy, to reveal sequential structural evolution of CNCbl in the excited electronic state. Femtosecond polarized XANES provides the crucial structural dynamics link between computed potential energy surfaces and optical transient absorption spectroscopy. Polarization selectivity can be used to uniquely identify electronic contributionsmore » and structural changes, even in isotropic samples when well-defined electronic transitions are excited. Our XANES measurements reveal that the structural changes upon photoexcitation occur mainly in the axial direction, where elongation of the axial Co–CN bond and Co–N Im bond on a 110 fs time scale is followed by corrin ring relaxation on a 260 fs time scale. In conclusion, these observations expose features of the potential energy surfaces controlling cobalamin reactivity and deactivation.« less

The application of 3D Zernike moments for the description of "model-free" molecular structure, functional motion, and structural reliability.

PubMed

Grandison, Scott; Roberts, Carl; Morris, Richard J

2009-03-01

Protein structures are not static entities consisting of equally well-determined atomic coordinates. Proteins undergo continuous motion, and as catalytic machines, these movements can be of high relevance for understanding function. In addition to this strong biological motivation for considering shape changes is the necessity to correctly capture different levels of detail and error in protein structures. Some parts of a structural model are often poorly defined, and the atomic displacement parameters provide an excellent means to characterize the confidence in an atom's spatial coordinates. A mathematical framework for studying these shape changes, and handling positional variance is therefore of high importance. We present an approach for capturing various protein structure properties in a concise mathematical framework that allows us to compare features in a highly efficient manner. We demonstrate how three-dimensional Zernike moments can be employed to describe functions, not only on the surface of a protein but throughout the entire molecule. A number of proof-of-principle examples are given which demonstrate how this approach may be used in practice for the representation of movement and uncertainty.

Automated compound classification using a chemical ontology.

PubMed

Bobach, Claudia; Böhme, Timo; Laube, Ulf; Püschel, Anett; Weber, Lutz

2012-12-29

Classification of chemical compounds into compound classes by using structure derived descriptors is a well-established method to aid the evaluation and abstraction of compound properties in chemical compound databases. MeSH and recently ChEBI are examples of chemical ontologies that provide a hierarchical classification of compounds into general compound classes of biological interest based on their structural as well as property or use features. In these ontologies, compounds have been assigned manually to their respective classes. However, with the ever increasing possibilities to extract new compounds from text documents using name-to-structure tools and considering the large number of compounds deposited in databases, automated and comprehensive chemical classification methods are needed to avoid the error prone and time consuming manual classification of compounds. In the present work we implement principles and methods to construct a chemical ontology of classes that shall support the automated, high-quality compound classification in chemical databases or text documents. While SMARTS expressions have already been used to define chemical structure class concepts, in the present work we have extended the expressive power of such class definitions by expanding their structure-based reasoning logic. Thus, to achieve the required precision and granularity of chemical class definitions, sets of SMARTS class definitions are connected by OR and NOT logical operators. In addition, AND logic has been implemented to allow the concomitant use of flexible atom lists and stereochemistry definitions. The resulting chemical ontology is a multi-hierarchical taxonomy of concept nodes connected by directed, transitive relationships. A proposal for a rule based definition of chemical classes has been made that allows to define chemical compound classes more precisely than before. The proposed structure-based reasoning logic allows to translate chemistry expert knowledge into a computer interpretable form, preventing erroneous compound assignments and allowing automatic compound classification. The automated assignment of compounds in databases, compound structure files or text documents to their related ontology classes is possible through the integration with a chemical structure search engine. As an application example, the annotation of chemical structure files with a prototypic ontology is demonstrated.

Automated compound classification using a chemical ontology

PubMed Central

2012-01-01

Background Classification of chemical compounds into compound classes by using structure derived descriptors is a well-established method to aid the evaluation and abstraction of compound properties in chemical compound databases. MeSH and recently ChEBI are examples of chemical ontologies that provide a hierarchical classification of compounds into general compound classes of biological interest based on their structural as well as property or use features. In these ontologies, compounds have been assigned manually to their respective classes. However, with the ever increasing possibilities to extract new compounds from text documents using name-to-structure tools and considering the large number of compounds deposited in databases, automated and comprehensive chemical classification methods are needed to avoid the error prone and time consuming manual classification of compounds. Results In the present work we implement principles and methods to construct a chemical ontology of classes that shall support the automated, high-quality compound classification in chemical databases or text documents. While SMARTS expressions have already been used to define chemical structure class concepts, in the present work we have extended the expressive power of such class definitions by expanding their structure-based reasoning logic. Thus, to achieve the required precision and granularity of chemical class definitions, sets of SMARTS class definitions are connected by OR and NOT logical operators. In addition, AND logic has been implemented to allow the concomitant use of flexible atom lists and stereochemistry definitions. The resulting chemical ontology is a multi-hierarchical taxonomy of concept nodes connected by directed, transitive relationships. Conclusions A proposal for a rule based definition of chemical classes has been made that allows to define chemical compound classes more precisely than before. The proposed structure-based reasoning logic allows to translate chemistry expert knowledge into a computer interpretable form, preventing erroneous compound assignments and allowing automatic compound classification. The automated assignment of compounds in databases, compound structure files or text documents to their related ontology classes is possible through the integration with a chemical structure search engine. As an application example, the annotation of chemical structure files with a prototypic ontology is demonstrated. PMID:23273256

a Conceptual Model for the Representation of Landforms Using Ontology Design Patterns

NASA Astrophysics Data System (ADS)

Guilbert, Eric; Moulin, Bernard; Cortés Murcia, Andrés

2016-06-01

A landform is an area of a terrain with its own recognisable shape. Its definition is often qualitative and inherently vague. Hence landforms are difficult to formalise in view of their extraction from a DTM. This paper presents a two-level framework for the representation of landforms. The objective is to provide a structure where landforms can be conceptually designed according to a common model which can be implemented. It follows the principle that landforms are not defined by geometrical characteristics but by salient features perceived by people. Hence, these salient features define a skeleton around which the landform is built. The first level of our model defines general concepts forming a landform prototype while the second level provides a model for the translation of these concepts and landform extraction on a DTM. The model is still under construction and preliminary results together with current developments are also presented.

Polygons of global undersea features for geographic searches

USGS Publications Warehouse

Hartwell, Stephen R.; Wingfield, Dana K.; Allwardt, Alan O.; Lightsom, Frances L.; Wong, Florence L.

2018-01-01

A shapefile of 311 undersea features from all major oceans and seas has been created as an aid for retrieving georeferenced information resources. Geospatial information systems with the capability to search user-defined, polygonal geographic areas will be able to utilize this shapefile or secondary products derived from it, such as linked data based on well-known text representations of the individual polygons within the shapefile. Version 1.1 of this report also includes a linked data representation of 299 of these features and their spatial extents.

In vivo genome-wide profiling of RNA secondary structure reveals novel regulatory features.

PubMed

Ding, Yiliang; Tang, Yin; Kwok, Chun Kit; Zhang, Yu; Bevilacqua, Philip C; Assmann, Sarah M

2014-01-30

RNA structure has critical roles in processes ranging from ligand sensing to the regulation of translation, polyadenylation and splicing. However, a lack of genome-wide in vivo RNA structural data has limited our understanding of how RNA structure regulates gene expression in living cells. Here we present a high-throughput, genome-wide in vivo RNA structure probing method, structure-seq, in which dimethyl sulphate methylation of unprotected adenines and cytosines is identified by next-generation sequencing. Application of this method to Arabidopsis thaliana seedlings yielded the first in vivo genome-wide RNA structure map at nucleotide resolution for any organism, with quantitative structural information across more than 10,000 transcripts. Our analysis reveals a three-nucleotide periodic repeat pattern in the structure of coding regions, as well as a less-structured region immediately upstream of the start codon, and shows that these features are strongly correlated with translation efficiency. We also find patterns of strong and weak secondary structure at sites of alternative polyadenylation, as well as strong secondary structure at 5' splice sites that correlates with unspliced events. Notably, in vivo structures of messenger RNAs annotated for stress responses are poorly predicted in silico, whereas mRNA structures of genes related to cell function maintenance are well predicted. Global comparison of several structural features between these two categories shows that the mRNAs associated with stress responses tend to have more single-strandedness, longer maximal loop length and higher free energy per nucleotide, features that may allow these RNAs to undergo conformational changes in response to environmental conditions. Structure-seq allows the RNA structurome and its biological roles to be interrogated on a genome-wide scale and should be applicable to any organism.

Patscanui: an intuitive web interface for searching patterns in DNA and protein data.

PubMed

Blin, Kai; Wohlleben, Wolfgang; Weber, Tilmann

2018-05-02

Patterns in biological sequences frequently signify interesting features in the underlying molecule. Many tools exist to search for well-known patterns. Less support is available for exploratory analysis, where no well-defined patterns are known yet. PatScanUI (https://patscan.secondarymetabolites.org/) provides a highly interactive web interface to the powerful generic pattern search tool PatScan. The complex PatScan-patterns are created in a drag-and-drop aware interface allowing researchers to do rapid prototyping of the often complicated patterns useful to identifying features of interest.

Label-free imaging of mammalian cell nucleoli by Raman microspectroscopy.

PubMed

Schulze, H Georg; Konorov, Stanislav O; Piret, James M; Blades, Michael W; Turner, Robin F B

2013-06-21

The nucleolus is a prominent subnuclear structure whose major function is the transcription and assembly of ribosome subunits. The size of the nucleolus varies with the cell cycle, proliferation rate and stress. Changes in nucleolar size, number, chemical composition, and shape can be used to characterize malignant cells. We used spontaneous Raman microscopy as a label-free technique to examine nucleolar spatial and chemical features. Raman images of the 1003 cm(-1) phenylalanine band revealed large, well-defined subnuclear protein structures in MFC-7 breast cancer cells. The 783 cm(-1) images showed that nucleic acids were similarly distributed, but varied more in intensity, forming observable high-intensity regions. High subnuclear RNA concentrations were observed within some of these regions as shown by 809 cm(-1) Raman band images. Principal component analyses of sub-images and library spectra validated the subnuclear presence of RNA. They also revealed that an actin-like protein covaried with DNA within the nucleolus, a combination that accounted for 64% or more of the spectral variance. Embryonic stem cells are another rapidly proliferating cell type, but their nucleoli were not as large or well defined. Estimating the size of the larger MCF-7 nucleolus was used to show the utility of Raman microscopy for morphometric analyses. It was concluded that imaging based on Raman microscopy provides a promising new method for the study of nucleolar function and organization, in the evaluation of drug and experimental effects on the nucleolus, and in clinical diagnostics and prognostics.

Identification of moving vehicle forces on bridge structures via moving average Tikhonov regularization

NASA Astrophysics Data System (ADS)

Pan, Chu-Dong; Yu, Ling; Liu, Huan-Lin

2017-08-01

Traffic-induced moving force identification (MFI) is a typical inverse problem in the field of bridge structural health monitoring. Lots of regularization-based methods have been proposed for MFI. However, the MFI accuracy obtained from the existing methods is low when the moving forces enter into and exit a bridge deck due to low sensitivity of structural responses to the forces at these zones. To overcome this shortcoming, a novel moving average Tikhonov regularization method is proposed for MFI by combining with the moving average concepts. Firstly, the bridge-vehicle interaction moving force is assumed as a discrete finite signal with stable average value (DFS-SAV). Secondly, the reasonable signal feature of DFS-SAV is quantified and introduced for improving the penalty function (∣∣x∣∣2 2) defined in the classical Tikhonov regularization. Then, a feasible two-step strategy is proposed for selecting regularization parameter and balance coefficient defined in the improved penalty function. Finally, both numerical simulations on a simply-supported beam and laboratory experiments on a hollow tube beam are performed for assessing the accuracy and the feasibility of the proposed method. The illustrated results show that the moving forces can be accurately identified with a strong robustness. Some related issues, such as selection of moving window length, effect of different penalty functions, and effect of different car speeds, are discussed as well.

The Science Thought Experiment: How Might It Be Used Profitably in the Classroom?

ERIC Educational Resources Information Center

Klassen, Stephen

2006-01-01

It is well established that thought experiments are both scientifically and philosophically significant, and even that they are pedagogically significant. However, the basis and methodology for their pedagogical use is not as well established. Pedagogical thought experiments are defined as mental simulations with special features to isolate…

Transitioning Domain Analysis: An Industry Experience.

DTIC Science & Technology

1996-06-01

References 6 Implementation 6.1 Analysis of Operator Services’ Requirements Process 21 6.2 Preliminary Planning for FODA Training by SEI 21...an academic and industry partnership took feature oriented domain analysis ( FODA ) from a methodology that is still being defined to a well-documented...to pilot the use of the Software Engineering Institute (SEI) domain analysis methodology known as feature-oriented domain analysis ( FODA ). Supported

A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO x .

PubMed

Kubas, Adam; Noak, Johannes; Trunschke, Annette; Schlögl, Robert; Neese, Frank; Maganas, Dimitrios

2017-09-01

Absorption and multiwavelength resonance Raman spectroscopy are widely used to investigate the electronic structure of transition metal centers in coordination compounds and extended solid systems. In combination with computational methodologies that have predictive accuracy, they define powerful protocols to study the spectroscopic response of catalytic materials. In this work, we study the absorption and resonance Raman spectra of the M1 MoVO x catalyst. The spectra were calculated by time-dependent density functional theory (TD-DFT) in conjunction with the independent mode displaced harmonic oscillator model (IMDHO), which allows for detailed bandshape predictions. For this purpose cluster models with up to 9 Mo and V metallic centers are considered to represent the bulk structure of MoVO x . Capping hydrogens were used to achieve valence saturation at the edges of the cluster models. The construction of model structures was based on a thorough bonding analysis which involved conventional DFT and local coupled cluster (DLPNO-CCSD(T)) methods. Furthermore the relationship of cluster topology to the computed spectral features is discussed in detail. It is shown that due to the local nature of the involved electronic transitions, band assignment protocols developed for molecular systems can be applied to describe the calculated spectral features of the cluster models as well. The present study serves as a reference for future applications of combined experimental and computational protocols in the field of solid-state heterogeneous catalysis.

Functional anorectal disorders.

PubMed

Bharucha, Adil E; Wald, Arnold; Enck, Paul; Rao, Satish

2006-04-01

This report defines criteria for diagnosing functional anorectal disorders (ie, fecal incontinence, anorectal pain, and disorders of defecation). Functional fecal incontinence is defined as the uncontrolled passage of fecal material recurring for > or =3 months in an individual with a developmental age of > or =4 years that is associated with: (1) abnormal functioning of normally innervated and structurally intact muscles, and/or (2) no or minor abnormalities of sphincter structure and/or innervation insufficient to explain fecal incontinence, and/or (3) normal or disordered bowel habits (ie, fecal retention or diarrhea), and/or (4) psychological causes. However, conditions wherein structural and/or neurogenic abnormalities explain the symptom, or are part of a generalized process (eg, diabetic neuropathy) are not included within functional fecal incontinence. Functional fecal incontinence is a common, but underrecognized symptom, which is equally prevalent in men and women, and can often cause considerable distress. The clinical features are useful for guiding diagnostic testing and therapy. Functional anorectal pain syndromes include proctalgia fugax (fleeting pain) and chronic proctalgia; chronic proctalgia may be subdivided into levator ani syndrome and unspecified anorectal pain, which are defined by arbitrary clinical criteria. Functional defecation disorders are characterized by 2 or more symptoms of constipation, with > or =2 of the following features during defecation: impaired evacuation, inappropriate contraction of the pelvic floor muscles, and inadequate propulsive forces. Functional disorders of defecation may be amenable to pelvic floor retraining by biofeedback therapy (such as dyssynergic defecation).

Topology of the conceptual network of language

NASA Astrophysics Data System (ADS)

Motter, Adilson E.; de Moura, Alessandro P.; Lai, Ying-Cheng; Dasgupta, Partha

2002-06-01

We define two words in a language to be connected if they express similar concepts. The network of connections among the many thousands of words that make up a language is important not only for the study of the structure and evolution of languages, but also for cognitive science. We study this issue quantitatively, by mapping out the conceptual network of the English language, with the connections being defined by the entries in a Thesaurus dictionary. We find that this network presents a small-world structure, with an amazingly small average shortest path, and appears to exhibit an asymptotic scale-free feature with algebraic connectivity distribution.

The Hopf algebra structure of the h-deformed Z3-graded quantum supergroup GLh,j(1|1)

NASA Astrophysics Data System (ADS)

Yasar, Ergün

2016-07-01

In this work, we define a new proper singular g matrix to construct a Z3-graded calculus on the h-deformed quantum superplane. Using the obtained calculus, we construct a new h-deformed Z3-graded quantum supergroup and give some features of it. Finally, we build up the Hopf algebra structure of this supergroup.

Career Ladders and Teacher Incentives: The Utah Experiment. Part II: Case Studies. Final Report: Secretary's Discretionary Program Implementation Grant to Develop Teacher Incentive Structures.

ERIC Educational Resources Information Center

Peterson, Ken; Kauchak, Don

This volume, the second of two reports on development of teacher incentive structures, presents case studies of a career ladder design and teacher evaluation experiment in four Utah school districts. Case studies examined relationships among career ladder features, process variables, and career ladder effectiveness, which is defined in terms of…

Independent and additive repetition priming of motion direction and color in visual search.

PubMed

Kristjánsson, Arni

2009-03-01

Priming of visual search for Gabor patch stimuli, varying in color and local drift direction, was investigated. The task relevance of each feature varied between the different experimental conditions compared. When the target defining dimension was color, a large effect of color repetition was seen as well as a smaller effect of the repetition of motion direction. The opposite priming pattern was seen when motion direction defined the target--the effect of motion direction repetition was this time larger than for color repetition. Finally, when neither was task relevant, and the target defining dimension was the spatial frequency of the Gabor patch, priming was seen for repetition of both color and motion direction, but the effects were smaller than in the previous two conditions. These results show that features do not necessarily have to be task relevant for priming to occur. There is little interaction between priming following repetition of color and motion, these two features show independent and additive priming effects, most likely reflecting that the two features are processed at separate processing sites in the nervous system, consistent with previous findings from neuropsychology & neurophysiology. The implications of the findings for theoretical accounts of priming in visual search are discussed.

Instructional Applications of Hypermedia: Functional Features, Limitations, and Research Issues.

ERIC Educational Resources Information Center

Park, Ok-choon

1992-01-01

Defines hypermedia and describes the structure and functional requirements of a hypermedia program. Potentials of hypermedia for instructional delivery, idea generation and organization, file storage and organization, and development of computer-based instruction materials are discussed. Several research issues related to instructional…

Integration of seismic-reflection and well data to assess the potential impact of stratigraphic and structural features on sustainable water supply from the Floridan aquifer system, Broward County, Florida

USGS Publications Warehouse

Cunningham, Kevin J.

2014-01-01

The U.S. Geological Survey and Broward County water managers commenced a 3.5-year cooperative study in July 2012 to refine the geologic and hydrogeologic framework of the Floridan aquifer system (FAS) in Broward County. A lack of advanced stratigraphic knowledge of the physical system and structural geologic anomalies (faults and fractures originating from tectonics and karst-collapse structures) within the FAS pose a risk to the sustainable management of the resource. The principal objective of the study is to better define the regional stratigraphic and structural setting of the FAS in Broward County. The objective will be achieved through the acquisition, processing, and interpretation of new seismic-reflection data along several canals in Broward County. The interpretation includes integration of the new seismic-reflection data with existing seismic-reflection profiles along Hillsboro Canal in Broward County and within northeast Miami-Dade County, as well as with data from nearby FAS wellbores. The scope of the study includes mapping the geologic, hydrogeologic, and seismic-reflection framework of the FAS, and identifying stratigraphic and structural characteristics that could either facilitate or preclude the sustainable use of the FAS as an alternate water supply or a treated effluent repository. In addition, the investigation offers an opportunity to: (1) improve existing groundwater flow models, (2) enhance the understanding of the sensitivity of the groundwater system to well-field development and upconing of saline fluids, and (3) support site selection for future FAS projects, such as Class I wells that would inject treated effluent into the deep Boulder Zone.

Experiments on automatic classification of tissue malignancy in the field of digital pathology

NASA Astrophysics Data System (ADS)

Pereira, J.; Barata, R.; Furtado, Pedro

2017-06-01

Automated analysis of histological images helps diagnose and further classify breast cancer. Totally automated approaches can be used to pinpoint images for further analysis by the medical doctor. But tissue images are especially challenging for either manual or automated approaches, due to mixed patterns and textures, where malignant regions are sometimes difficult to detect unless they are in very advanced stages. Some of the major challenges are related to irregular and very diffuse patterns, as well as difficulty to define winning features and classifier models. Although it is also hard to segment correctly into regions, due to the diffuse nature, it is still crucial to take low-level features over individualized regions instead of the whole image, and to select those with the best outcomes. In this paper we report on our experiments building a region classifier with a simple subspace division and a feature selection model that improves results over image-wide and/or limited feature sets. Experimental results show modest accuracy for a set of classifiers applied over the whole image, while the conjunction of image division, per-region low-level extraction of features and selection of features, together with the use of a neural network classifier achieved the best levels of accuracy for the dataset and settings we used in the experiments. Future work involves deep learning techniques, adding structures semantics and embedding the approach as a tumor finding helper in a practical Medical Imaging Application.

Robust predictions for an oscillatory bispectrum in Planck 2015 data from transient reductions in the speed of sound of the inflaton

NASA Astrophysics Data System (ADS)

Torrado, Jesús; Hu, Bin; Achúcarro, Ana

2017-10-01

We update the search for features in the cosmic microwave background (CMB) power spectrum due to transient reductions in the speed of sound, using Planck 2015 CMB temperature and polarization data. We enlarge the parameter space to much higher oscillatory frequencies of the feature, and define a robust prior independent of the ansatz for the reduction, guaranteed to reproduce the assumptions of the theoretical model. This prior exhausts the regime in which features coming from a Gaussian reduction are easily distinguishable from the baseline cosmology. We find a fit to the ℓ≈20 - 40 minus /plus structure in Planck TT power spectrum, as well as features spanning along higher ℓ's (ℓ≈100 - 1500 ). None of those fits is statistically significant, either in terms of their improvement of the likelihood or in terms of the Bayes ratio. For the higher-ℓ ones, their oscillatory frequency (and their amplitude to a lesser extent) is tightly constrained, so they can be considered robust, falsifiable predictions for their correlated features in the CMB bispectrum. We compute said correlated features, and assess their signal to noise and correlation with the secondary bispectrum of the correlation between the gravitational lensing of the CMB and the integrated Sachs-Wolfe effect. We compare our findings to the shape-agnostic oscillatory template tested in Planck 2015, and we comment on some tantalizing coincidences with some of the traits described in Planck's 2015 bispectrum data.

A folded viral noncoding RNA blocks host cell exoribonucleases through a conformationally dynamic RNA structure.

PubMed

Steckelberg, Anna-Lena; Akiyama, Benjamin M; Costantino, David A; Sit, Tim L; Nix, Jay C; Kieft, Jeffrey S

2018-06-19

Folded RNA elements that block processive 5' → 3' cellular exoribonucleases (xrRNAs) to produce biologically active viral noncoding RNAs have been discovered in flaviviruses, potentially revealing a new mode of RNA maturation. However, whether this RNA structure-dependent mechanism exists elsewhere and, if so, whether a singular RNA fold is required, have been unclear. Here we demonstrate the existence of authentic RNA structure-dependent xrRNAs in dianthoviruses, plant-infecting viruses unrelated to animal-infecting flaviviruses. These xrRNAs have no sequence similarity to known xrRNAs; thus, we used a combination of biochemistry and virology to characterize their sequence requirements and mechanism of stopping exoribonucleases. By solving the structure of a dianthovirus xrRNA by X-ray crystallography, we reveal a complex fold that is very different from that of the flavivirus xrRNAs. However, both versions of xrRNAs contain a unique topological feature, a pseudoknot that creates a protective ring around the 5' end of the RNA structure; this may be a defining structural feature of xrRNAs. Single-molecule FRET experiments reveal that the dianthovirus xrRNAs undergo conformational changes and can use "codegradational remodeling," exploiting the exoribonucleases' degradation-linked helicase activity to help form their resistant structure; such a mechanism has not previously been reported. Convergent evolution has created RNA structure-dependent exoribonuclease resistance in different contexts, which establishes it as a general RNA maturation mechanism and defines xrRNAs as an authentic functional class of RNAs.

Alteration textures in terrestrial volcanic glass and the associated bacterial community.

PubMed

Cockell, C S; Olsson-Francis, K; Herrera, A; Meunier, A

2009-01-01

Alteration textures were examined in subglacial (hyaloclastite) deposits at Valafell, Southern Iceland. Pitted and 'elongate' alteration features are observed in the glass similar to granular and tubular features reported previously in deep-ocean basaltic glasses, but elongate features generally did not have a length to width ratio greater than five. Elongate features were found in only 7% of surfaces. Crystalline basalt clasts, which are incorporated into the hyaloclastite, did not display elongate structures. Pitted alteration features were poorly defined in crystalline basalt, comprising only 4% of the surface compared to 47% in the case of basaltic glass. Examination of silica-rich glass (obsidian) and rhyolite similarly showed poorly defined pitted textures that comprised less than 15% of the surface and no elongate features were observed. These data highlight the differences in alteration textures between terrestrial basaltic glass and previously studied deep-ocean and subsurface basaltic glass, and the important role of mineralogy in controlling the type and abundance of alteration features. The hyaloclastite contains a diverse and abundant bacterial population, as determined by 16S rDNA analysis, which could be involved in weathering the glass. Despite the presence of phototrophs, we show that they were not involved in the production of most alteration textures in the basaltic glass materials we examined.

Movement reveals scale dependence in habitat selection of a large ungulate.

PubMed

Northrup, Joseph M; Anderson, Charles R; Hooten, Mevin B; Wittemyer, George

2016-12-01

Ecological processes operate across temporal and spatial scales. Anthropogenic disturbances impact these processes, but examinations of scale dependence in impacts are infrequent. Such examinations can provide important insight to wildlife-human interactions and guide management efforts to reduce impacts. We assessed spatiotemporal scale dependence in habitat selection of mule deer (Odocoileus hemionus) in the Piceance Basin of Colorado, USA, an area of ongoing natural gas development. We employed a newly developed animal movement method to assess habitat selection across scales defined using animal-centric spatiotemporal definitions ranging from the local (defined from five hour movements) to the broad (defined from weekly movements). We extended our analysis to examine variation in scale dependence between night and day and assess functional responses in habitat selection patterns relative to the density of anthropogenic features. Mule deer displayed scale invariance in the direction of their response to energy development features, avoiding well pads and the areas closest to roads at all scales, though with increasing strength of avoidance at coarser scales. Deer displayed scale-dependent responses to most other habitat features, including land cover type and habitat edges. Selection differed between night and day at the finest scales, but homogenized as scale increased. Deer displayed functional responses to development, with deer inhabiting the least developed ranges more strongly avoiding development relative to those with more development in their ranges. Energy development was a primary driver of habitat selection patterns in mule deer, structuring their behaviors across all scales examined. Stronger avoidance at coarser scales suggests that deer behaviorally mediated their interaction with development, but only to a degree. At higher development densities than seen in this area, such mediation may not be possible and thus maintenance of sufficient habitat with lower development densities will be a critical best management practice as development expands globally. © 2016 by the Ecological Society of America.

40 CFR 355.61 - How are key words in this part defined?

Code of Federal Regulations, 2011 CFR

2011-07-01

... includes manmade structures, as well as all natural structures in which chemicals are purposefully placed... agricultural products during a year. Hazardous chemical means any hazardous chemical as defined under 29 CFR... of a technically qualified individual; or (iii) In routine agricultural operations or is a fertilizer...

40 CFR 355.61 - How are key words in this part defined?

Code of Federal Regulations, 2014 CFR

2014-07-01

... includes manmade structures, as well as all natural structures in which chemicals are purposefully placed... agricultural products during a year. Hazardous chemical means any hazardous chemical as defined under 29 CFR... of a technically qualified individual; or (iii) In routine agricultural operations or is a fertilizer...

Iris-based medical analysis by geometric deformation features.

PubMed

Ma, Lin; Zhang, D; Li, Naimin; Cai, Yan; Zuo, Wangmeng; Wang, Kuanguan

2013-01-01

Iris analysis studies the relationship between human health and changes in the anatomy of the iris. Apart from the fact that iris recognition focuses on modeling the overall structure of the iris, iris diagnosis emphasizes the detecting and analyzing of local variations in the characteristics of irises. This paper focuses on studying the geometrical structure changes in irises that are caused by gastrointestinal diseases, and on measuring the observable deformations in the geometrical structures of irises that are related to roundness, diameter and other geometric forms of the pupil and the collarette. Pupil and collarette based features are defined and extracted. A series of experiments are implemented on our experimental pathological iris database, including manual clustering of both normal and pathological iris images, manual classification by non-specialists, manual classification by individuals with a medical background, classification ability verification for the proposed features, and disease recognition by applying the proposed features. The results prove the effectiveness and clinical diagnostic significance of the proposed features and a reliable recognition performance for automatic disease diagnosis. Our research results offer a novel systematic perspective for iridology studies and promote the progress of both theoretical and practical work in iris diagnosis.

Maximum likelihood clustering with dependent feature trees

NASA Technical Reports Server (NTRS)

Chittineni, C. B. (Principal Investigator)

1981-01-01

The decomposition of mixture density of the data into its normal component densities is considered. The densities are approximated with first order dependent feature trees using criteria of mutual information and distance measures. Expressions are presented for the criteria when the densities are Gaussian. By defining different typs of nodes in a general dependent feature tree, maximum likelihood equations are developed for the estimation of parameters using fixed point iterations. The field structure of the data is also taken into account in developing maximum likelihood equations. Experimental results from the processing of remotely sensed multispectral scanner imagery data are included.

A Feature-based Developmental Model of the Infant Brain in Structural MRI

PubMed Central

Toews, Matthew; Wells, William M.; Zöllei, Lilla

2014-01-01

In this paper, anatomical development is modeled as a collection of distinctive image patterns localized in space and time. A Bayesian posterior probability is defined over a random variable of subject age, conditioned on data in the form of scale-invariant image features. The model is automatically learned from a large set of images exhibiting significant variation, used to discover anatomical structure related to age and development, and fit to new images to predict age. The model is applied to a set of 230 infant structural MRIs of 92 subjects acquired at multiple sites over an age range of 8-590 days. Experiments demonstrate that the model can be used to identify age-related anatomical structure, and to predict the age of new subjects with an average error of 72 days. PMID:23286050

Structural basis for the ATP-independent proteolytic activity of LonB proteases and reclassification of their AAA+ modules.

PubMed

An, Young Jun; Na, Jung-Hyun; Kim, Myung-Il; Cha, Sun-Shin

2015-10-01

Lon proteases degrade defective or denature proteins as well as some folded proteins for the control of cellular protein quality. There are two types of Lon proteases, LonA and LonB. Each consists of two functional components: a protease component and an ATPase associated with various cellular activities (AAA+ module). Here, we report the 2.03 -resolution crystal structure of the isolated AAA+ module (iAAA+ module) of LonB from Thermococcus onnurineus NA1 (TonLonB). The iAAA+ module, having no bound nucleotide, adopts a conformation virtually identical to the ADP-bound conformation of AAA+ modules in the hexameric structure of TonLonB; this provides insights into the ATP-independent proteolytic activity observed in a LonB protease. Structural comparison of AAA+ modules between LonA and LonB revealed that the AAA+ modules of Lon proteases are separated into two distinct clades depending on their structural features. The AAA+ module of LonB belongs to the -H2 & Ins1 insert clade (HINS clade)- defined for the first time in this study, while the AAA+ module of LonA is a member of the HCLR clade.

Bioinspired Photonic Pigments from Colloidal Self-Assembly.

PubMed

Goerlitzer, Eric S A; Klupp Taylor, Robin N; Vogel, Nicolas

2018-05-07

The natural world is a colorful environment. Stunning displays of coloration have evolved throughout nature to optimize camouflage, warning, and communication. The resulting flamboyant visual effects and remarkable dynamic properties, often caused by an intricate structural design at the nano- and microscale, continue to inspire scientists to unravel the underlying physics and to recreate the observed effects. Here, the methodologies to create bioinspired photonic pigments using colloidal self-assembly approaches are considered. The physics governing the interaction of light with structural features and natural examples of structural coloration are briefly introduced. It is then outlined how the self-assembly of colloidal particles, acting as wavelength-scale building blocks, can be particularly useful to replicate coloration from nature. Different coloration effects that result from the defined structure of the self-assembled colloids are introduced and it is highlighted how these optical properties can be translated into photonic pigments by modifications of the assembly processes. The importance of absorbing elements, as well as the role of surface chemistry and wettability to control structural coloration is discussed. Finally, approaches to integrate dynamic control of coloration into such self-assembled photonic pigments are outlined. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Normal embryonic stages of the Longnose Gar, Lepisosteus osseus

PubMed Central

Long, Wilbur L; Ballard, William W

2001-01-01

Background Gaps exist in the modern literature that describes patterns of development in living groups of actinopterygian fishes. Relatively recent descriptions of development exist for the teleost fishes, bowfin, sturgeon, paddlefish and bichirs. Such literature dealing with the gars is to be found in older work, done approximately a century ago. The present study concerns the gars, of which the garpike, Lepisosteus osseus, is a representative example. Results The embryonic period of life of this fish is divided, as required for experimentation, into 34 stages, from fertilization to exhaustion of the yolk supply. Diagnostic structural characteristics are cited for each stage, and the rate of development is indicated. Conclusions Three features of development are especially noted that compare or contrast with other members of the Neopterygii, and with the Chondrostei. These are meroblastic cleavage, a well-defined yolk syncytial layer (ysl), and a pit at the posterodorsal edge of the blastoderm, which defines an overhanging dorsal lip. Meroblastic cleavage and the ysl in the garpike show an affinity to those character states in the teleosts, though not with Amia, the other neopterygian fish. The posterodorsal pit and dorsal lip are reminiscent of similar features in the Chondrostei. Lepisosteus is unique among the Neopterygii with respect to this character state. Such comparisons set the stage for a broader understanding of the mechanisms for development in these organisms, and of the evolutionary relationships between them. PMID:11319037

Detailed characterization of Act d 12 and Act d 13 from kiwi seeds: implication in IgE cross-reactivity with peanut and tree nuts.

PubMed

Sirvent, S; Cantó, B; Gómez, F; Blanca, N; Cuesta-Herranz, J; Canto, G; Blanca, M; Rodríguez, R; Villalba, M; Palomares, O

2014-11-01

Act d 12 (11S globulin) and Act d 13 (2S albumin) are two novel relevant allergens from kiwi seeds that might be useful to improve the diagnostic sensitivity and the management of kiwifruit-allergic patients. To perform a comprehensive structural and immunological characterization of purified Act d 12 and Act d 13 from kiwi seeds. Sera from 55 well-defined kiwifruit-allergic patients were used. Act d 12 and Act d 13 were purified by chromatographic procedures. Circular dichroism, mass spectrometry, concanavalin A detection, immunoblotting, enzyme-linked immunosorbent assays, basophil activation tests, and IgE-inhibition experiments were used. Act d 12 and Act d 13 were purified from kiwi seeds to homogeneity by combining size-exclusion, ion-exchange, and RP-HPLC chromatographies. Both purified allergens preserve the structural integrity and display typical features of their homologous counterparts from the 11S globulin and 2S albumin protein families, respectively. These allergens are released from kiwi seeds after oral and gastric digestion of whole kiwifruit, demonstrating their bioavailability after ingestion. The allergens retain the capacity to bind serum IgE from kiwifruit-allergic patients, induce IgE cross-linking in effector-circulating basophils, and display in vitro IgE cross-reactivity with homologous counterparts from peanut and tree nuts. Purified Act d 12 and Act d 13 from kiwi seeds are well-defined molecules involved in in vitro IgE cross-reactivity with peanut and tree nuts. Their inclusion in component-resolved diagnosis of kiwifruit allergy might well contribute to improve the diagnostic sensitivity and the management of kiwifruit-allergic patients. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Internship Handbook for Career Academies.

ERIC Educational Resources Information Center

Winthrop, Jerauld

Career academies are high school programs that frame academic learning around a career focus in order to increase student motivation and achievement. They generally have three defining features: a school-within-a-school structure, a college preparation curriculum with a career theme, and partnerships with employers, the community, and higher…

Exact and approximate graph matching using random walks.

PubMed

Gori, Marco; Maggini, Marco; Sarti, Lorenzo

2005-07-01

In this paper, we propose a general framework for graph matching which is suitable for different problems of pattern recognition. The pattern representation we assume is at the same time highly structured, like for classic syntactic and structural approaches, and of subsymbolic nature with real-valued features, like for connectionist and statistic approaches. We show that random walk based models, inspired by Google's PageRank, give rise to a spectral theory that nicely enhances the graph topological features at node level. As a straightforward consequence, we derive a polynomial algorithm for the classic graph isomorphism problem, under the restriction of dealing with Markovian spectrally distinguishable graphs (MSD), a class of graphs that does not seem to be easily reducible to others proposed in the literature. The experimental results that we found on different test-beds of the TC-15 graph database show that the defined MSD class "almost always" covers the database, and that the proposed algorithm is significantly more efficient than top scoring VF algorithm on the same data. Most interestingly, the proposed approach is very well-suited for dealing with partial and approximate graph matching problems, derived for instance from image retrieval tasks. We consider the objects of the COIL-100 visual collection and provide a graph-based representation, whose node's labels contain appropriate visual features. We show that the adoption of classic bipartite graph matching algorithms offers a straightforward generalization of the algorithm given for graph isomorphism and, finally, we report very promising experimental results on the COIL-100 visual collection.

Photolithographic-stereolithographic-tandem fabrication of 4D smart scaffolds for improved stem cell cardiomyogenic differentiation.

PubMed

Miao, Shida; Cui, Haitao; Nowicki, Margaret; Lee, Se-Jun; Almeida, José; Zhou, Xuan; Zhu, Wei; Yao, Xiaoliang; Masood, Fahed; Plesniak, Michael W; Mohiuddin, Muhammad; Zhang, Lijie Grace

2018-05-02

4D printing is a highly innovative additive manufacturing process for fabricating smart structures with the ability to transform over time. Significantly different from regular 4D printing techniques, this study focuses on creating novel 4D hierarchical micropatterns using a unique photolithographic-stereolithographic-tandem strategy (PSTS) with smart soybean oil epoxidized acrylate (SOEA) inks for effectively regulating human bone marrow mesenchymal stem cell (hMSC) cardiomyogenic behaviors. The 4D effect refers to autonomous conversion of the surficial-patterned scaffold into a predesigned construct through an external stimulus delivered immediately after printing. Our results show that hMSCs actively grew and were highly aligned along the micropatterns, forming an uninterrupted cellular sheet. The generation of complex patterns was evident by triangular and circular outlines appearing in the scaffolds. This simple, yet efficient, technique was validated by rapid printing of scaffolds with well-defined and consistent micro-surface features. A 4D dynamic shape change transforming a 2-D design into flower-like structures was observed. The printed scaffolds possessed a shape memory effect beyond the 4D features. The advanced 4D dynamic feature may provide seamless integration with damaged tissues or organs, and a proof of concept 4D patch for cardiac regeneration was demonstrated for the first time. The 4D-fabricated cardiac patch showed significant cardiomyogenesis confirmed by immunofluorescence staining and qRT-PCR analysis, indicating its promising potential in future tissue and organ regeneration applications.

Cytologic features of the normal pineal gland of adults.

PubMed

Jiménez-Heffernan, José A; Bárcena, Carmen; Agra, Carolina; Asunción, Alfonso

2015-08-01

It is well known that the histology of normal pineal gland may resemble not only pineal tumors but also gliomas, owing to its cellularity which is much greater than that of normal white or gray matter. Our recent experience with a case in which part of a normal gland was submitted for intraoperative consultation, together with the scarcity of cytologic descriptions, led us to perform a cyto-histologic correlation study. In addition to the intraoperative case, we collected five pineal glands from consecutive adult autopsies. During the squash procedure, we often noted the presence of calcified grains. Smears were hypercellular, distributed in tissue fibrillary fragments and as numerous single cells, with crystalline structures. Pineal gland cells (pineocytes) were large, round, epithelioid with ill-defined cytoplasms and moderate nuclear pleomorphism. Spindle cells with greater fibrillary quality were less common. One of the most remarkable findings seen in all cases was the presence of cytoplasmic pigment. Histological evaluation and immunohistochemical staining confirmed that the tissue was normal pineal gland. The histology showed a characteristic lobular aspect and frequent corpora arenacea. The pigment seen cytologically was also encountered in histology and corresponded to lipofuscin. Cytologic features of the pineal gland are peculiar when compared to other normal structures of the central nervous system. These features correlate closely with what is seen on histology. In an adequate clinical context, and in combination with frozen sections, cytology allows a specific recognition of the pineal gland during intraoperative pathologic consultations. © 2015 Wiley Periodicals, Inc.

A reduced amino acid alphabet for understanding and designing protein adaptation to mutation.

PubMed

Etchebest, C; Benros, C; Bornot, A; Camproux, A-C; de Brevern, A G

2007-11-01

Protein sequence world is considerably larger than structure world. In consequence, numerous non-related sequences may adopt similar 3D folds and different kinds of amino acids may thus be found in similar 3D structures. By grouping together the 20 amino acids into a smaller number of representative residues with similar features, sequence world simplification may be achieved. This clustering hence defines a reduced amino acid alphabet (reduced AAA). Numerous works have shown that protein 3D structures are composed of a limited number of building blocks, defining a structural alphabet. We previously identified such an alphabet composed of 16 representative structural motifs (5-residues length) called Protein Blocks (PBs). This alphabet permits to translate the structure (3D) in sequence of PBs (1D). Based on these two concepts, reduced AAA and PBs, we analyzed the distributions of the different kinds of amino acids and their equivalences in the structural context. Different reduced sets were considered. Recurrent amino acid associations were found in all the local structures while other were specific of some local structures (PBs) (e.g Cysteine, Histidine, Threonine and Serine for the alpha-helix Ncap). Some similar associations are found in other reduced AAAs, e.g Ile with Val, or hydrophobic aromatic residues Trp with Phe and Tyr. We put into evidence interesting alternative associations. This highlights the dependence on the information considered (sequence or structure). This approach, equivalent to a substitution matrix, could be useful for designing protein sequence with different features (for instance adaptation to environment) while preserving mainly the 3D fold.

Evolutionary history, structural features and biochemical diversity of the NlpC/P60 superfamily of enzymes.

PubMed

Anantharaman, Vivek; Aravind, L

2003-01-01

Peptidoglycan is hydrolyzed by a diverse set of enzymes during bacterial growth, development and cell division. The N1pC/P60 proteins define a family of cell-wall peptidases that are widely represented in various bacterial lineages. Currently characterized members are known to hydrolyze D-gamma-glutamyl-meso-diaminopimelate or N-acetylmuramate-L-alanine linkages. Detailed analysis of the N1pC/P60 peptidases showed that these proteins define a large superfamily encompassing several diverse groups of proteins. In addition to the well characterized P60-like proteins, this superfamily includes the AcmB/LytN and YaeF/YiiX families of bacterial proteins, the amidase domain of bacterial and kinetoplastid glutathionylspermidine synthases (GSPSs), and several proteins from eukaryotes, phages, poxviruses, positive-strand RNA viruses, and certain archaea. The eukaryotic members include lecithin retinol acyltransferase (LRAT), nematode developmental regulator Egl-26, and candidate tumor suppressor H-rev107. These eukaryotic proteins, along with the bacterial YaeF/poxviral G6R family, show a circular permutation of the catalytic domain. We identified three conserved residues, namely a cysteine, a histidine and a polar residue, that are involved in the catalytic activities of this superfamily. Evolutionary analysis of this superfamily shows that it comprises four major families, with diverse domain architectures in each of them. Several related, but distinct, catalytic activities, such as murein degradation, acyl transfer and amide hydrolysis, have emerged in the N1pC/P60 superfamily. The three conserved catalytic residues of this superfamily are shown to be equivalent to the catalytic triad of the papain-like thiol peptidases. The predicted structural features indicate that the N1pC/P60 enzymes contain a fold similar to the papain-like peptidases, transglutaminases and arylamine acetyltransferases.

[Inflammatory granulomas in the pathology of the nervous system. General remarks].

PubMed

Tommasi, M

1976-01-01

The "gliogenic" participation in the edification of granulomas may produce peculiar morphological features especially in the central nervous system, and perhaps more than elsewhere, pseudotumoral features. Moreover, the concept of "granuloma" is perhaps not as well defined as in the other tissues. There are also some still unsolved problems concerning the histogenesis of the cells of the "granuloma". Some examples taken among the different etiologies illustrate these notions.

Quantitative analysis of the plain radiographic appearance of nonossifying fibroma.

PubMed

Friedland, J A; Reinus, W R; Fisher, A J; Wilson, A J

1995-08-01

To quantitate radiographic features that distinguish the plain radiographic appearance of nonossifying fibroma (NOF) from other solitary lesions of bone. Seven hundred nine cases of focal bone lesions, including 34 NOFs, were analyzed according to demographic, anatomic, and plain radiographic features. Vector analysis of groups of features was performed to determine those that are most sensitive and specific for the appearance of NOF in contrast to other lesions in the data base. The radiographic appearance of NOFs was most consistently a medullary based (97%), lytic lesion (100%) with geographic bone destruction (100%), marginal sclerosis (97%), and well-defined edges (94%). A statistically significant number of lesions were located in the distal aspect of long bones. Unicameral bone cyst shared the most radiographic features with the NOF. Vector analysis showed a large degree of overlap between NOF and other lesions such as aneurysmal bone cyst, chondromyxoid fibroma, and eosinophilic granuloma. The description that optimized sensitivity and prevalence for detection of NOF is a medullary based, ovoid lesion in the distal or proximal portions of a long bone with well-defined edges, a partial or complete rind of sclerosis, and absence of fallen fragment, periosteal reaction, and cortical disruption. The radiographic appearance of NOF is relatively nonspecific but, using vector analysis, can be better elucidated over current textbook descriptions.

Individual MRI and radiographic features of knee OA in subjects with unilateral knee pain: Health ABC study

PubMed Central

Javaid, MK; Kiran, A; Guermazi, A; Kwoh, K; Zaim, S; Carbone, L; Harris, T.; McCulloch, C.E.; Arden, NK; Lane, NE; Felson, D; Nevitt, M

2012-01-01

Strong associations between radiographic features of knee OA and pain have been demonstrated in persons with unilateral knee symptoms. Our objectives were to compare radiographic with MRI features of knee OA and assess the discrimination between painful and non-painful knees in persons with unilateral symptoms. 283 individuals with unilateral knee pain aged 71 to 80 years from Health ABC, a study of weight-related diseases and mobility, had bilateral knee radiographs, read for KL grade and individual radiographic features, and 1.5T MRIs, read using WORMS. The association of structural features with pain was assessed using a within-person case/control design and conditional logistic regression. Receiver operator characteristics (ROC) were then used to test the discriminatory performance of structural features. In conditional logistic analyses, knee pain was significantly associated with both radiographic (any JSN grade >=1: OR 3.20 (1.79 – 5.71) and MRI (any cartilage defect:>=2: OR 3.67 (1.49 – 9.04)) features. However, most subjects had MR detected osteophytes, cartilage and bone marrow lesions in both knees and no individual structural feature discriminated well between painful and non-painful knees using ROC. The best performing MRI feature (synovitis/effusion) was not significantly more informative than KL grade >=2 (p=0.42). In persons with unilateral knee pain, MR and radiographic features were associated with knee pain confirming an important role in the etiology of pain. However, no single MRI or radiographic finding performed well in discriminating painful from non-painful knees. Further work is needed to examine how structural and non-structural factors influence knee pain. PMID:22736267

Juvenile skeletogenesis in anciently diverged sea urchin clades.

PubMed

Gao, Feng; Thompson, Jeffrey R; Petsios, Elizabeth; Erkenbrack, Eric; Moats, Rex A; Bottjer, David J; Davidson, Eric H

2015-04-01

Mechanistic understanding of evolutionary divergence in animal body plans devolves from analysis of those developmental processes that, in forms descendant from a common ancestor, are responsible for their morphological differences. The last common ancestor of the two extant subclasses of sea urchins, i.e., euechinoids and cidaroids, existed well before the Permian/Triassic extinction (252 mya). Subsequent evolutionary divergence of these clades offers in principle a rare opportunity to solve the developmental regulatory events underlying a defined evolutionary divergence process. Thus (i) there is an excellent and fairly dense (if yet incompletely analyzed) fossil record; (ii) cladistically confined features of the skeletal structures of modern euechinoid and cidaroid sea urchins are preserved in fossils of ancestral forms; (iii) euechinoids and cidaroids are among current laboratory model systems in molecular developmental biology (here Strongylocentrotus purpuratus [Sp] and Eucidaris tribuloides [Et]); (iv) skeletogenic specification in sea urchins is uncommonly well understood at the causal level of interactions of regulatory genes with one another, and with known skeletogenic effector genes, providing a ready arsenal of available molecular tools. Here we focus on differences in test and perignathic girdle skeletal morphology that distinguish all modern euechinoid from all modern cidaroid sea urchins. We demonstrate distinct canonical test and girdle morphologies in juveniles of both species by use of SEM and X-ray microtomography. Among the sharply distinct morphological features of these clades are the internal skeletal structures of the perignathic girdle to which attach homologous muscles utilized for retraction and protraction of Aristotles׳ lantern and its teeth. We demonstrate that these structures develop de novo between one and four weeks after metamorphosis. In order to study the underlying developmental processes, a method of section whole mount in situ hybridization was adapted. This method displays current gene expression in the developing test and perignathic girdle skeletal elements of both Sp and Et juveniles. Active, specific expression of the sm37 biomineralization gene in these muscle attachment structures accompanies morphogenetic development of these clade-specific features in juveniles of both species. Skeletogenesis at these clade-specific muscle attachment structures displays molecular earmarks of the well understood embryonic skeletogenic GRN: thus the upstream regulatory gene alx1 and the gene encoding the vegfR signaling receptor are both expressed at the sites where they are formed. This work opens the way to analysis of the alternative spatial specification processes that were installed at the evolutionary divergence of the two extant subclasses of sea urchins. Copyright © 2015 Elsevier Inc. All rights reserved.

Defining functional distance using manifold embeddings of gene ontology annotations

PubMed Central

Lerman, Gilad; Shakhnovich, Boris E.

2007-01-01

Although rigorous measures of similarity for sequence and structure are now well established, the problem of defining functional relationships has been particularly daunting. Here, we present several manifold embedding techniques to compute distances between Gene Ontology (GO) functional annotations and consequently estimate functional distances between protein domains. To evaluate accuracy, we correlate the functional distance to the well established measures of sequence, structural, and phylogenetic similarities. Finally, we show that manual classification of structures into folds and superfamilies is mirrored by proximity in the newly defined function space. We show how functional distances place structure–function relationships in biological context resulting in insight into divergent and convergent evolution. The methods and results in this paper can be readily generalized and applied to a wide array of biologically relevant investigations, such as accuracy of annotation transference, the relationship between sequence, structure, and function, or coherence of expression modules. PMID:17595300

Learning templates for artistic portrait lighting analysis.

PubMed

Chen, Xiaowu; Jin, Xin; Wu, Hongyu; Zhao, Qinping

2015-02-01

Lighting is a key factor in creating impressive artistic portraits. In this paper, we propose to analyze portrait lighting by learning templates of lighting styles. Inspired by the experience of artists, we first define several novel features that describe the local contrasts in various face regions. The most informative features are then selected with a stepwise feature pursuit algorithm to derive the templates of various lighting styles. After that, the matching scores that measure the similarity between a testing portrait and those templates are calculated for lighting style classification. Furthermore, we train a regression model by the subjective scores and the feature responses of a template to predict the score of a portrait lighting quality. Based on the templates, a novel face illumination descriptor is defined to measure the difference between two portrait lightings. Experimental results show that the learned templates can well describe the lighting styles, whereas the proposed approach can assess the lighting quality of artistic portraits as human being does.

Freeform manufacturing of a microoptical lens array on a steep curved substrate by use of a voice coil fast tool servo.

PubMed

Scheiding, Sebastian; Yi, Allen Y; Gebhardt, Andreas; Li, Lei; Risse, Stefan; Eberhardt, Ramona; Tünnermann, Andreas

2011-11-21

We report what is to our knowledge the first approach to diamond turn microoptical lens array on a steep curved substrate by use of a voice coil fast tool servo. In recent years ultraprecision machining has been employed to manufacture accurate optical components with 3D structure for beam shaping, imaging and nonimaging applications. As a result, geometries that are difficult or impossible to manufacture using lithographic techniques might be fabricated using small diamond tools with well defined cutting edges. These 3D structures show no rotational symmetry, but rather high frequency asymmetric features thus can be treated as freeform geometries. To transfer the 3D surface data with the high frequency freeform features into a numerical control code for machining, the commonly piecewise differentiable surfaces are represented as a cloud of individual points. Based on this numeric data, the tool radius correction is calculated to account for the cutting-edge geometry. Discontinuities of the cutting tool locations due to abrupt slope changes on the substrate surface are bridged using cubic spline interpolation.When superimposed with the trajectory of the rotationally symmetric substrate the complete microoptical geometry in 3D space is established. Details of the fabrication process and performance evaluation are described. © 2011 Optical Society of America

Simulation of light in-coupling through an aperture probe to investigate light propagation in a thin layer for opto-electronic application

NASA Astrophysics Data System (ADS)

Ermes, Markus; Lehnen, Stephan; Cao, Zhao; Bittkau, Karsten; Carius, Reinhard

2015-06-01

In thin optoelectronic devices, like organic light emitting diodes (OLED) or thin-film solar cells (TFSC), light propagation, which is initiated by a local point source, is of particular importance. In OLEDs, light is generated in the layer by the luminescence of single molecules, whereas in TFSCs, light is coupled into the devices by scattering at small surface features. In both applications, light propagation within the active layers has a significant impact on the optical device performance. Scanning near-field optical microscopy (SNOM) using aperture probes is a powerful tool to investigate this propagation with a high spatial resolution. Dual-probe SNOM allows simulating the local light generation by an illumination probe as well as the detection of the light propagated through the layer. In our work, we focus on the light propagation in thin silicon films as used in thin-film silicon solar cells. We investigate the light-in-coupling from an illuminating probe via rigorous solution of Maxwell's equations using a Finite-Difference Time-Domain approach, especially to gain insight into the light distribution inside a thin layer, which is not accessible in the experiment. The structures investigated include at and structured surfaces with varying illumination positions and wavelengths. From the performed simulations, we define a "spatial sensitivity" which is characteristic for the local structure and illumination position. This quantity can help to identify structures which are beneficial as well as detrimental to absorption inside the investigated layer. We find a strong dependence of the spatial sensitivity on the surface structure as well as both the absorption coefficient and the probe position. Furthermore, we investigate inhomogeneity in local light propagation resulting from different surface structures and illumination positions.

Gynaecomastia as a presenting feature of thyrotoxicosis

PubMed Central

Chan, W; Yeung, V; Chow, C; So, W; Cockram, C

1999-01-01

The association between gynaecomastia and thyrotoxicosis is well recognised. However, the reported frequency of the association is variable, partly depending upon the defining criteria used. Here we report two patients with thyrotoxicosis in whom gynaecomastia was the presenting feature. Both patients had other contributing factors, which are assumed to have predisposed to gynaecomastia. In both patients, the gynaecomastia resolved with successful treatment of the thyrotoxicosis. When gynaecomastia is a presenting, or prominent feature of thyrotoxicosis, the possibility of additional underlying pathology should be considered.


Keywords: gynaecomastia; thyrotoxicosis; sex hormone PMID:10715765

Retrobulbar anaplastic astrocytoma in a dog: clinicopathological and ultrasonographic features.

PubMed

Martín, E; Pérez, J; Mozos, E; López, R; Molleda, J M

2000-08-01

An 11-year-old entire female German shepherd dog was presented with a progressive non-painful exophthalmos of the right eye. Ultrasonographic examination revealed a solid and well-defined orbital mass compressing the globe. Thoracic radiography revealed multiple pulmonary metastases of different sizes. The histopathological and immunohistochemical features of both the retrobulbar tumour and pulmonary metastases were consistent with an anaplastic astrocytoma. This represents an unusual case of an extracranial astrocytoma with multiple pulmonary metastases. The clinical features and the ultrasonographic, histopathological and immunohistochemical findings are described.

Crystal structure of RlmAI: Implications for understanding the 23S rRNA G745/G748-methylation at the macrolide antibiotic-binding site

PubMed Central

Das, Kalyan; Acton, Thomas; Chiang, Yiwen; Shih, Lydia; Arnold, Eddy; Montelione, Gaetano T.

2004-01-01

The RlmA class of enzymes (RlmAI and RlmAII) catalyzes N1-methylation of a guanine base (G745 in Gram-negative and G748 in Gram-positive bacteria) of hairpin 35 of 23S rRNA. We have determined the crystal structure of Escherichia coli RlmAI at 2.8-Å resolution, providing 3D structure information for the RlmA class of RNA methyltransferases. The dimeric protein structure exhibits features that provide new insights into its molecular function. Each RlmAI molecule has a Zn-binding domain, responsible for specific recognition and binding of its rRNA substrate, and a methyltransferase domain. The asymmetric RlmAI dimer observed in the crystal structure has a well defined W-shaped RNA-binding cleft. Two S-adenosyl-l-methionine substrate molecules are located at the two valleys of the W-shaped RNA-binding cleft. The unique shape of the RNA-binding cleft, different from that of known RNA-binding proteins, is highly specific and structurally complements the 3D structure of hairpin 35 of bacterial 23S rRNA. Apart from the hairpin 35, parts of hairpins 33 and 34 also interact with the RlmAI dimer. PMID:14999102

Mesostructural investigation of micron-sized glass particles during shear deformation - An experimental approach vs. DEM simulation

NASA Astrophysics Data System (ADS)

Torbahn, Lutz; Weuster, Alexander; Handl, Lisa; Schmidt, Volker; Kwade, Arno; Wolf, Dietrich E.

2017-06-01

The interdependency of structure and mechanical features of a cohesive powder packing is on current scientific focus and far from being well understood. Although the Discrete Element Method provides a well applicable and widely used tool to model powder behavior, non-trivial contact mechanics of micron-sized particles demand a sophisticated contact model. Here, a direct comparison between experiment and simulation on a particle level offers a proper approach for model validation. However, the simulation of a full scale shear-tester experiment with micron-sized particles, and hence, validating this simulation remains a challenge. We address this task by down scaling the experimental setup: A fully functional micro shear-tester was developed and implemented into an X-ray tomography device in order to visualize the sample on a bulk and particle level within small bulk volumes of the order of a few micro liter under well-defined consolidation. Using spherical micron-sized particles (30 μm), shear tests with a particle number accessible for simulations can be performed. Moreover, particle level analysis allows for a direct comparison of experimental and numerical results, e.g., regarding structural evolution. In this talk, we focus on density inhomogeneity and shear induced heterogeneity during compaction and shear deformation.

A new way of setting the phases for cosmological multiscale Gaussian initial conditions

NASA Astrophysics Data System (ADS)

Jenkins, Adrian

2013-09-01

We describe how to define an extremely large discrete realization of a Gaussian white noise field that has a hierarchical structure and the property that the value of any part of the field can be computed quickly. Tiny subregions of such a field can be used to set the phase information for Gaussian initial conditions for individual cosmological simulations of structure formation. This approach has several attractive features: (i) the hierarchical structure based on an octree is particularly well suited for generating follow-up resimulation or zoom initial conditions; (ii) the phases are defined for all relevant physical scales in advance so that resimulation initial conditions are, by construction, consistent both with their parent simulation and with each other; (iii) the field can easily be made public by releasing a code to compute it - once public, phase information can be shared or published by specifying a spatial location within the realization. In this paper, we describe the principles behind creating such realizations. We define an example called Panphasia and in a companion paper by Jenkins and Booth (2013) make public a code to compute it. With 50 octree levels Panphasia spans a factor of more than 1015 in linear scale - a range that significantly exceeds the ratio of the current Hubble radius to the putative cold dark matter free-streaming scale. We show how to modify a code used for making cosmological and resimulation initial conditions so that it can take the phase information from Panphasia and, using this code, we demonstrate that it is possible to make good quality resimulation initial conditions. We define a convention for publishing phase information from Panphasia and publish the initial phases for several of the Virgo Consortium's most recent cosmological simulations including the 303 billion particle MXXL simulation. Finally, for reference, we give the locations and properties of several dark matter haloes that can be resimulated within these volumes.

What kinds of things are psychiatric disorders?

PubMed

Kendler, K S; Zachar, P; Craver, C

2011-06-01

This essay explores four answers to the question 'What kinds of things are psychiatric disorders?' Essentialist kinds are classes whose members share an essence from which their defining features arise. Although elegant and appropriate for some physical (e.g. atomic elements) and medical (e.g. Mendelian disorders) phenomena, this model is inappropriate for psychiatric disorders, which are multi-factorial and 'fuzzy'. Socially constructed kinds are classes whose members are defined by the cultural context in which they arise. This model excludes the importance of shared physiological mechanisms by which the same disorder could be identified across different cultures. Advocates of practical kinds put off metaphysical questions about 'reality' and focus on defining classes that are useful. Practical kinds models for psychiatric disorders, implicit in the DSM nosologies, do not require that diagnoses be grounded in shared causal processes. If psychiatry seeks to tie disorders to etiology and underlying mechanisms, a model first proposed for biological species, mechanistic property cluster (MPC) kinds, can provide a useful framework. MPC kinds are defined not in terms of essences but in terms of complex, mutually reinforcing networks of causal mechanisms. We argue that psychiatric disorders are objectively grounded features of the causal structure of the mind/brain. MPC kinds are fuzzy sets defined by mechanisms at multiple levels that act and interact to produce the key features of the kind. Like species, psychiatric disorders are populations with central paradigmatic and more marginal members. The MPC view is the best current answer to 'What kinds of things are psychiatric disorders?'

Geophysical imaging of karst features in Missouri

NASA Astrophysics Data System (ADS)

Obi, Jeremiah Chukwunonso

Automated electrical resistivity tomography (ERT) supported with multichannel analysis of surface waves (MASW) and boring data were used to map karst related features in Missouri in order to understand karst processes better in Missouri. Previous works on karst in Missouri were mostly surficial mapping of bedrock outcrops and joints, which are not enough to define the internal structure of karst system, since most critical processes in karst occur underground. To understand these processes better, the density, placement and pattern of karst related features like solution-widened joints and voids, as well as top of bedrock were mapped. In the course of the study, six study sites were visited in Missouri. The sites were in Nixa, Gasconade River Bridge in Lebanon, Battlefield, Aurora, Protem and Richland. The case studies reflect to a large extent some of the problems inherent in karst terrain, ranging from environmental problems to structural problems especially sinkhole collapses. The result of the study showed that karst in Missouri is mostly formed as a result of piping of sediments through solution-widened joints, with a pattern showing that the joints/fractures are mostly filled with moist clay-sized materials of low resistivity values. The highest density of mapped solution-widened joints was one in every one hundred and fifty feet, and these areas are where intense dissolution is taking place, and bedrock pervasively fractured. The study also showed that interpreted solution-widened joints trend in different directions, and often times conform with known structural lineaments in the area. About 40% of sinkhole collapses in the study areas are anthropogenic. Karst in Missouri varies, and can be classified as a combination of kI (juvenile), kIII (mature) and kIV (complex) karsts.

Application of the Geo-Anomaly Unit Concept in Quantitative Delineation and Assessment of Gold Ore Targets in Western Shandong Uplift Terrain, Eastern China

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

Chen Yongqing, E-mail: ydonglai@mail.cgs.gov.cn; Zhao Pengda; Chen Jianguo

2001-03-15

A number of large and giant ore deposits have been discovered within the relatively small areas of lithospheric structure anomalies, including various boundary zones of tectonic plates. The regions have become the well-known intercontinental ore-forming belts, such as the circum-Pacific gold-copper, copper-molybdenum, and tungsten-tin metallogenic belts. These belts are typical geological anomalous areas. An investigation into the hydrothermal ore deposits in different regions in the former Soviet Union illustrated that the geologic structures of ore fields of almost all major commercial deposits have distinct features compared with the neighboring areas. These areas with distinct features are defined as geo-anomalies. Amore » geo-anomaly refers to such a geologic body or a combination of bodies that their composition, texture-structure, and genesis are significantly different from those of their surroundings. A geo-anomaly unit (GU) is an area containing distinct features that can be delineated with integrated ore-forming information using computer techniques on the basis of the geo-anomaly concept. Herein, the GU concept is illustrated by a case study of delineating the gold ore targets in the western Shandong uplift terrain, eastern China. It includes: (1) analyses of gold ore-forming factors; (2) compilation of normalized regional geochemical map and extraction of geochemical anomalies; (3) compilation of gravitational and aeromagnetic tectonic skeleton map and extraction of gravitational and aeromagnetic anomalies; (4) extraction of circular and linear anomalies from remote-sensing Landsat TM images; (5) establishment of a geo-anomaly conceptual model associated with known gold mineralization; (6) establishment of gold ore-forming favorability by computing techniques; and (7) delineation and assessment of ore-forming units. The units with high favorability are suggested as ore targets.« less

Eosinophilic leukocytoclastic vasculitis - a spectrum ranging from Wells' syndrome to Churg-Strauss syndrome?

PubMed

Ratzinger, Gudrun; Zankl, Julia; Eisendle, Klaus; Zelger, Bernhard

2014-01-01

Wells' syndrome is defined as an inflammatory disorder with the histopathological presence of eosinophilic infiltrates and flame figures in the absence of vasculitis. Eosinophilic leukocytoclastic vasculitis shows eosinophilic infiltrates in combination with vasculitic changes. And Churg Strauss Syndrome comprises all three characteristics - eosinophilic infiltrates, vasculitis and flame figures. To determine whether these three diseases are distinct entities or different manifestations of a similar clinicopathologic process. Histopathological samples and clinical courses of 17 patients with eosinophilic infiltrates, flame figures and clinical features of Wells' syndrome were re-evaluated. Histopathologically, we focused on the presence or absence of vasculitic features. Clinically, we included only patients who were diagnosed with Wells' syndrome at least once in the course of their disease. 4 patients were finally diagnosed with Wells' syndrome, 5 with eosinophilic leukocytoclastic vasculitis and 6 with Churg Strauss syndrome. Further, we had one case of an overlap between Wells' syndrome and eosinophilic vasculitis and one case of Wegener granulomatosis. Vasculitic features were found in the samples of all patients. Histologically, we find vasculitic features in typical presentations of Wells' syndrome. Clinically, we find typical features of Wells' syndrome in patients finally diagnosed with eosinophilic leukocytoclastic vasculitis or Churg Strauss syndrome. Furthermore, we have observed and formerly reported 3 patients with progression from Wells' syndrome to Churg Strauss syndrome. Thus, we assume that eosinophilic leukocytoclastic vasculitis might form a bridge between Wells' syndrome and Churg Strauss syndrome.

Emerging Issues in Genotoxicity and Carcinogenicity with Implications for Structure Activity Analyses

EPA Science Inventory

In silico systems for the prediction of the ability of chemicals to induce carcinogenicity in rodents have generally relied on knowledge of the structure and physical-chemical features of the compound, as well as the mutagenic and genotoxic features of the compound in various bio...

Controllable Edge Feature Sharpening for Dental Applications

PubMed Central

2014-01-01

This paper presents a new approach to sharpen blurred edge features in scanned tooth preparation surfaces generated by structured-light scanners. It aims to efficiently enhance the edge features so that the embedded feature lines can be easily identified in dental CAD systems, and to avoid unnatural oversharpening geometry. We first separate the feature regions using graph-cut segmentation, which does not require a user-defined threshold. Then, we filter the face normal vectors to propagate the geometry from the smooth region to the feature region. In order to control the degree of the sharpness, we propose a feature distance measure which is based on normal tensor voting. Finally, the vertex positions are updated according to the modified face normal vectors. We have applied the approach to scanned tooth preparation models. The results show that the blurred edge features are enhanced without unnatural oversharpening geometry. PMID:24741376

Controllable edge feature sharpening for dental applications.

PubMed

Fan, Ran; Jin, Xiaogang

2014-01-01

This paper presents a new approach to sharpen blurred edge features in scanned tooth preparation surfaces generated by structured-light scanners. It aims to efficiently enhance the edge features so that the embedded feature lines can be easily identified in dental CAD systems, and to avoid unnatural oversharpening geometry. We first separate the feature regions using graph-cut segmentation, which does not require a user-defined threshold. Then, we filter the face normal vectors to propagate the geometry from the smooth region to the feature region. In order to control the degree of the sharpness, we propose a feature distance measure which is based on normal tensor voting. Finally, the vertex positions are updated according to the modified face normal vectors. We have applied the approach to scanned tooth preparation models. The results show that the blurred edge features are enhanced without unnatural oversharpening geometry.

Key Data on Education in Europe 2009

ERIC Educational Resources Information Center

Ranguelov, Stanislav; de Coster, Isabelle; Forsthuber, Bernadette; Noorani, Sogol; Ruffio, Philippe

2009-01-01

This seventh edition of "Key Data on Education in Europe" retains its main special feature which is the combination of statistical data and qualitative information to describe the organisation and functioning of education systems in Europe. The present 2009 edition maintains the subject-based structure defined by the previous one but…

Building Phrase Structure from Items and Contexts

ERIC Educational Resources Information Center

McKinney-Bock, Katherine S.

2013-01-01

This dissertation aims to revisit foundational issues in syntactic theory regarding cyclicity and displacement. I take narrow syntax to operate over domains ("phases") more local than in current Minimalism. To do this, I define a notion of "phase overlap" which involves the sharing of grammatical features across two independent…

Autism spectrum disorder: seeing is not understanding.

PubMed

Fecteau, Shirley; Lepage, Jean-François; Théoret, Hugo

2006-02-21

Impairments in social and emotional skills are a defining feature of autism spectrum disorder. Recent research shows that structural and functional abnormalities within the neural system that matches observation and execution of actions--the mirror neuron system--may explain the social aspects of the pathophysiology of autism spectrum disorder.

Assessing Quality in Home Visiting Programs

ERIC Educational Resources Information Center

Korfmacher, Jon; Laszewski, Audrey; Sparr, Mariel; Hammel, Jennifer

2013-01-01

Defining quality and designing a quality assessment measure for home visitation programs is a complex and multifaceted undertaking. This article summarizes the process used to create the Home Visitation Program Quality Rating Tool (HVPQRT) and identifies next steps for its development. The HVPQRT measures both structural and dynamic features of…

A genetic linkage map for the apicomplexan protozoan parasite Eimeria maxima and comparison with Eimeria tenella.

PubMed

Blake, Damer P; Oakes, Richard; Smith, Adrian L

2011-02-01

Eimeria maxima is one of the seven Eimeria spp. that infect the chicken and cause the disease coccidiosis. The well characterised immunogenicity and genetic diversity associated with E. maxima promote its use in genetics-led studies on avian coccidiosis. The development of a genetic map for E. maxima, presented here based upon 647 amplified fragment length polymorphism markers typed from 22 clonal hybrid lines and assembled into 13 major linkage groups, is a major new resource for work with this parasite. Comparison with genetic maps produced for other coccidial parasites indicates relatively high levels of genetic recombination. Conversion of ∼14% of the markers representing the major linkage groups to sequence characterised amplified region markers can provide a scaffold for the assembly of future genomic sequences as well as providing a foundation for more detailed genetic maps. Comparison with the Eimeria tenella genetic map produced 10years ago has revealed a less biased marker distribution, with no more than nine markers mapped within any unresolved heritable unit. Nonetheless, preliminary bioinformatic characterisation of the three largest publicly available genomic E. maxima sequences suggest that the feature-poor/feature-rich structure which has previously been found to define the first sequenced E. tenella chromosome also defines the E. maxima genome. The significance of such a segmented genome and the apparent potential for variation in genetic recombination will be relevant to haplotype stability and the longevity of future anticoccidial strategies based upon multiple loci targeted by novel chemotherapeutic drugs or recombinant subunit vaccines. Copyright © 2010 Australian Society for Parasitology Inc. Published by Elsevier Ltd. All rights reserved.

A Close Look At The Relationship Between WMAP (ILC) Small-Scale Features And Galactic HI Structure

NASA Astrophysics Data System (ADS)

Verschuur, Gerrit L.

2012-05-01

Galactic HI emission profiles surrounding two pairs of features located where large-scale filaments at very different velocities overlap were decomposed into Gaussian components. Families of components defined by similarity of center velocities and line widths were identified and found to be spatially related. Each of the two pairs of HI peaks straddle a high-frequency continuum source revealed in the WMAP survey data. It is suggested that where filamentary HI features are directly interacting high-frequency continuum radiation is being produced. The previously hypothesized mechanism for producing high-frequency continuum radiation involving free-free emission from electrons in the interstellar medium, in this case created where HI filaments interact to produce fractional ionizations of order 5 to 15%, fit the data very closely. The results confirm that WMAP data on small-scale structures believed to be cosmological in origin are in fact compromised by the presence of intervening galactic sources of interstellar electrons clumped on scales typical of interstellar HI structure.

Wrinkle ridges on Venusian plains: Indicators of shallow crustal stress orientations at local and regional scales

NASA Technical Reports Server (NTRS)

Mcgill, George E.

1992-01-01

The plains regions of Venus exhibit a complex array of structural features, including deformation belts of various types, wrinkle ridges, grabens, and enigmatic radar-bright linears. Probably the most pervasive of these structures are the wrinkle ridges, which appear to be morphologically identical to their counterparts on the Moon and Mars. Almost all workers agree that wrinkle ridges result from horizontal compressive stresses in the crust; they either are explained as flexural fold structures, or alternatively as scarps or folds related to reverse faults. Wrinkle ridges generally are narrow, have small amplitudes, and commonly are closely spaced as well, characteristics that imply a shallow crustal origin. If wrinkle ridges are due to horizontally directed compressive stresses in the shallow crust, as generally has been inferred, then the trends of these features provide a means to map both local and regional orientations of principal stresses in the uppermost part of the venusian crust: maximum compressive stress is normal to the ridges, minimum compressive stress is normal to the topographic surface, and thus the wrinkle ridge trends trace the orientation of the intermediate principal stress. Because there are few plains areas on Venus totally devoid of wrinkle ridges, it should be possible to establish a number of interesting relationships on a near-global scale by mapping the trends of wrinkle ridges wherever they occur. The present study is addressing three questions: (1) Do the trends of wrinkle ridges define domains that are large relative to the sizes of individual plains regions? If so, can these domains be related to large-scale topographic or geologic features? (2) Are regional trends of wrinkle ridges affected by local features such as coronae? If so, is it possible to determine the relative ages of the far-field and local stresses from detailed study of trend inheritance or superposition relationships? (3) What is the relationship between wrinkle ridges and the larger ridges that make up ridge belts?

Peptide/protein-polymer conjugates: synthetic strategies and design concepts.

PubMed

Gauthier, Marc A; Klok, Harm-Anton

2008-06-21

This feature article provides a compilation of tools available for preparing well-defined peptide/protein-polymer conjugates, which are defined as hybrid constructs combining (i) a defined number of peptide/protein segments with uniform chain lengths and defined monomer sequences (primary structure) with (ii) a defined number of synthetic polymer chains. The first section describes methods for post-translational, or direct, introduction of chemoselective handles onto natural or synthetic peptides/proteins. Addressed topics include the residue- and/or site-specific modification of peptides/proteins at Arg, Asp, Cys, Gln, Glu, Gly, His, Lys, Met, Phe, Ser, Thr, Trp, Tyr and Val residues and methods for producing peptides/proteins containing non-canonical amino acids by peptide synthesis and protein engineering. In the second section, methods for introducing chemoselective groups onto the side-chain or chain-end of synthetic polymers produced by radical, anionic, cationic, metathesis and ring-opening polymerization are described. The final section discusses convergent and divergent strategies for covalently assembling polymers and peptides/proteins. An overview of the use of chemoselective reactions such as Heck, Sonogashira and Suzuki coupling, Diels-Alder cycloaddition, Click chemistry, Staudinger ligation, Michael's addition, reductive alkylation and oxime/hydrazone chemistry for the convergent synthesis of peptide/protein-polymer conjugates is given. Divergent approaches for preparing peptide/protein-polymer conjugates which are discussed include peptide synthesis from synthetic polymer supports, polymerization from peptide/protein macroinitiators or chain transfer agents and the polymerization of peptide side-chain monomers.

Predicting β-Turns in Protein Using Kernel Logistic Regression

PubMed Central

Elbashir, Murtada Khalafallah; Sheng, Yu; Wang, Jianxin; Wu, FangXiang; Li, Min

2013-01-01

A β-turn is a secondary protein structure type that plays a significant role in protein configuration and function. On average 25% of amino acids in protein structures are located in β-turns. It is very important to develope an accurate and efficient method for β-turns prediction. Most of the current successful β-turns prediction methods use support vector machines (SVMs) or neural networks (NNs). The kernel logistic regression (KLR) is a powerful classification technique that has been applied successfully in many classification problems. However, it is often not found in β-turns classification, mainly because it is computationally expensive. In this paper, we used KLR to obtain sparse β-turns prediction in short evolution time. Secondary structure information and position-specific scoring matrices (PSSMs) are utilized as input features. We achieved Q total of 80.7% and MCC of 50% on BT426 dataset. These results show that KLR method with the right algorithm can yield performance equivalent to or even better than NNs and SVMs in β-turns prediction. In addition, KLR yields probabilistic outcome and has a well-defined extension to multiclass case. PMID:23509793

Predicting β-turns in protein using kernel logistic regression.

PubMed

Elbashir, Murtada Khalafallah; Sheng, Yu; Wang, Jianxin; Wu, Fangxiang; Li, Min

2013-01-01

A β-turn is a secondary protein structure type that plays a significant role in protein configuration and function. On average 25% of amino acids in protein structures are located in β-turns. It is very important to develope an accurate and efficient method for β-turns prediction. Most of the current successful β-turns prediction methods use support vector machines (SVMs) or neural networks (NNs). The kernel logistic regression (KLR) is a powerful classification technique that has been applied successfully in many classification problems. However, it is often not found in β-turns classification, mainly because it is computationally expensive. In this paper, we used KLR to obtain sparse β-turns prediction in short evolution time. Secondary structure information and position-specific scoring matrices (PSSMs) are utilized as input features. We achieved Q total of 80.7% and MCC of 50% on BT426 dataset. These results show that KLR method with the right algorithm can yield performance equivalent to or even better than NNs and SVMs in β-turns prediction. In addition, KLR yields probabilistic outcome and has a well-defined extension to multiclass case.

Reconstructing Past Admixture Processes from Local Genomic Ancestry Using Wavelet Transformation

PubMed Central

Sanderson, Jean; Sudoyo, Herawati; Karafet, Tatiana M.; Hammer, Michael F.; Cox, Murray P.

2015-01-01

Admixture between long-separated populations is a defining feature of the genomes of many species. The mosaic block structure of admixed genomes can provide information about past contact events, including the time and extent of admixture. Here, we describe an improved wavelet-based technique that better characterizes ancestry block structure from observed genomic patterns. principal components analysis is first applied to genomic data to identify the primary population structure, followed by wavelet decomposition to develop a new characterization of local ancestry information along the chromosomes. For testing purposes, this method is applied to human genome-wide genotype data from Indonesia, as well as virtual genetic data generated using genome-scale sequential coalescent simulations under a wide range of admixture scenarios. Time of admixture is inferred using an approximate Bayesian computation framework, providing robust estimates of both admixture times and their associated levels of uncertainty. Crucially, we demonstrate that this revised wavelet approach, which we have released as the R package adwave, provides improved statistical power over existing wavelet-based techniques and can be used to address a broad range of admixture questions. PMID:25852078

Automatic feature learning using multichannel ROI based on deep structured algorithms for computerized lung cancer diagnosis.

PubMed

Sun, Wenqing; Zheng, Bin; Qian, Wei

2017-10-01

This study aimed to analyze the ability of extracting automatically generated features using deep structured algorithms in lung nodule CT image diagnosis, and compare its performance with traditional computer aided diagnosis (CADx) systems using hand-crafted features. All of the 1018 cases were acquired from Lung Image Database Consortium (LIDC) public lung cancer database. The nodules were segmented according to four radiologists' markings, and 13,668 samples were generated by rotating every slice of nodule images. Three multichannel ROI based deep structured algorithms were designed and implemented in this study: convolutional neural network (CNN), deep belief network (DBN), and stacked denoising autoencoder (SDAE). For the comparison purpose, we also implemented a CADx system using hand-crafted features including density features, texture features and morphological features. The performance of every scheme was evaluated by using a 10-fold cross-validation method and an assessment index of the area under the receiver operating characteristic curve (AUC). The observed highest area under the curve (AUC) was 0.899±0.018 achieved by CNN, which was significantly higher than traditional CADx with the AUC=0.848±0.026. The results from DBN was also slightly higher than CADx, while SDAE was slightly lower. By visualizing the automatic generated features, we found some meaningful detectors like curvy stroke detectors from deep structured schemes. The study results showed the deep structured algorithms with automatically generated features can achieve desirable performance in lung nodule diagnosis. With well-tuned parameters and large enough dataset, the deep learning algorithms can have better performance than current popular CADx. We believe the deep learning algorithms with similar data preprocessing procedure can be used in other medical image analysis areas as well. Copyright © 2017. Published by Elsevier Ltd.

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

PubMed

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

2015-02-01

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

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

DOE PAGES

Singh, Prashant; Smirnov, A. V.; Johnson, Duane D.

2018-05-31

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects controlmore » ordering in these alloys.« less

Thermal Decoherence of a Nonequilibrium Polariton Fluid

NASA Astrophysics Data System (ADS)

Klembt, Sebastian; Stepanov, Petr; Klein, Thorsten; Minguzzi, Anna; Richard, Maxime

2018-01-01

Exciton polaritons constitute a unique realization of a quantum fluid interacting with its environment. Using selenide-based microcavities, we exploit this feature to warm up a polariton condensate in a controlled way and monitor its spatial coherence. We determine directly the amount of heat picked up by the condensate by measuring the phonon-polariton scattering rate and comparing it with the loss rate. We find that, upon increasing the heating rate, the spatial coherence length decreases markedly, while localized phase structures vanish, in good agreement with a stochastic mean-field theory. From the thermodynamical point of view, this regime is unique, as it involves a nonequilibrium quantum fluid with no well-defined temperature but which is nevertheless able to pick up heat with dramatic effects on the order parameter.

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

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

Singh, Prashant; Smirnov, A. V.; Johnson, Duane D.

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects controlmore » ordering in these alloys.« less

Detecting natural occlusion boundaries using local cues

PubMed Central

DiMattina, Christopher; Fox, Sean A.; Lewicki, Michael S.

2012-01-01

Occlusion boundaries and junctions provide important cues for inferring three-dimensional scene organization from two-dimensional images. Although several investigators in machine vision have developed algorithms for detecting occlusions and other edges in natural images, relatively few psychophysics or neurophysiology studies have investigated what features are used by the visual system to detect natural occlusions. In this study, we addressed this question using a psychophysical experiment where subjects discriminated image patches containing occlusions from patches containing surfaces. Image patches were drawn from a novel occlusion database containing labeled occlusion boundaries and textured surfaces in a variety of natural scenes. Consistent with related previous work, we found that relatively large image patches were needed to attain reliable performance, suggesting that human subjects integrate complex information over a large spatial region to detect natural occlusions. By defining machine observers using a set of previously studied features measured from natural occlusions and surfaces, we demonstrate that simple features defined at the spatial scale of the image patch are insufficient to account for human performance in the task. To define machine observers using a more biologically plausible multiscale feature set, we trained standard linear and neural network classifiers on the rectified outputs of a Gabor filter bank applied to the image patches. We found that simple linear classifiers could not match human performance, while a neural network classifier combining filter information across location and spatial scale compared well. These results demonstrate the importance of combining a variety of cues defined at multiple spatial scales for detecting natural occlusions. PMID:23255731

Nanotopography-guided tissue engineering and regenerative medicine.

PubMed

Kim, Hong Nam; Jiao, Alex; Hwang, Nathaniel S; Kim, Min Sung; Kang, Do Hyun; Kim, Deok-Ho; Suh, Kahp-Yang

2013-04-01

Human tissues are intricate ensembles of multiple cell types embedded in complex and well-defined structures of the extracellular matrix (ECM). The organization of ECM is frequently hierarchical from nano to macro, with many proteins forming large scale structures with feature sizes up to several hundred microns. Inspired from these natural designs of ECM, nanotopography-guided approaches have been increasingly investigated for the last several decades. Results demonstrate that the nanotopography itself can activate tissue-specific function in vitro as well as promote tissue regeneration in vivo upon transplantation. In this review, we provide an extensive analysis of recent efforts to mimic functional nanostructures in vitro for improved tissue engineering and regeneration of injured and damaged tissues. We first characterize the role of various nanostructures in human tissues with respect to each tissue-specific function. Then, we describe various fabrication methods in terms of patterning principles and material characteristics. Finally, we summarize the applications of nanotopography to various tissues, which are classified into four types depending on their functions: protective, mechano-sensitive, electro-active, and shear stress-sensitive tissues. Some limitations and future challenges are briefly discussed at the end. Crown Copyright © 2012. Published by Elsevier B.V. All rights reserved.

Inference of neuronal network spike dynamics and topology from calcium imaging data

PubMed Central

Lütcke, Henry; Gerhard, Felipe; Zenke, Friedemann; Gerstner, Wulfram; Helmchen, Fritjof

2013-01-01

Two-photon calcium imaging enables functional analysis of neuronal circuits by inferring action potential (AP) occurrence (“spike trains”) from cellular fluorescence signals. It remains unclear how experimental parameters such as signal-to-noise ratio (SNR) and acquisition rate affect spike inference and whether additional information about network structure can be extracted. Here we present a simulation framework for quantitatively assessing how well spike dynamics and network topology can be inferred from noisy calcium imaging data. For simulated AP-evoked calcium transients in neocortical pyramidal cells, we analyzed the quality of spike inference as a function of SNR and data acquisition rate using a recently introduced peeling algorithm. Given experimentally attainable values of SNR and acquisition rate, neural spike trains could be reconstructed accurately and with up to millisecond precision. We then applied statistical neuronal network models to explore how remaining uncertainties in spike inference affect estimates of network connectivity and topological features of network organization. We define the experimental conditions suitable for inferring whether the network has a scale-free structure and determine how well hub neurons can be identified. Our findings provide a benchmark for future calcium imaging studies that aim to reliably infer neuronal network properties. PMID:24399936

Organic Carbon Features Identified in the Nakhla Martian Meteorite

NASA Technical Reports Server (NTRS)

Mckay, D. S.; Thomas-Keprta, K. L.; Clemett, S. J.; Gibson, E. K., Jr.; Le, L.; Rahman, Z.; Wentworth, S. J.

2011-01-01

We report, for the first time, the identification of specific carbonaceous phases, present within iddingsite alteration zones of the Nakhla meteorite that possess discrete, well defined, structurally coherent morphologies. These structures bear superficial similarity to the carbonaceous nanoglobules [1] found in primitive chondrites interplanetary dust particles, although they are an order-of-magnitude larger in size. Introduction: It has been known for many years that some members of the Martian meteorite clan contain organic matter [e.g., 2-4]. Based on both isotopic measurements [5] and circumstantial observations [4] (e.g., the similarity organic signatures present in both Antarctic finds and non-Antarctic falls) a credible argument has been made for a preterrestrial origin for the majority of these organics. The Nakhla meteorite is of particular interest in that it has been shown to contain both an acid-labile organic fraction as well as an acid-insoluble high molecular weight organic component [4]. Pyrolysis-gas chromatography-mass spectrometry of the latter component indicates it to be composed of aromatic and alkyl-aromatic functionalities bound into a macromolecule phase through ether linkages [4]. However, the spatial, textural and mineralogical associations of this carbonaceous macromolecular material have remained elusive [6].

Solid-State NMR Structure of a Pathogenic Fibril of Full-Length Human α-Synuclein

PubMed Central

Tuttle, Marcus D.; Comellas, Gemma; Nieuwkoop, Andrew J.; Covell, Dustin J.; Berthold, Deborah A.; Kloepper, Kathryn D.; Courtney, Joseph M.; Kim, Jae K.; Barclay, Alexander M.; Kendall, Amy; Wan, William; Stubbs, Gerald; Schwieters, Charles D.; Lee, Virginia M. Y.; George, Julia M.; Rienstra, Chad M.

2016-01-01

Misfolded α-synuclein amyloid fibrils are the principal components of Lewy bodies and neurites, hallmarks of Parkinson’s disease (PD). Here we present a high-resolution structure of an α-synuclein fibril, in a form that induces robust pathology in primary neuronal culture, determined by solid-state NMR spectroscopy and validated by electron microscopy and X-ray fiber diffraction. Over 200 unique long-range distance restraints define a consensus structure with common amyloid features including parallel in-register β-sheets and hydrophobic core residues, but also substantial complexity, arising from diverse structural features: an intermolecular salt bridge, a glutamine ladder, close backbone interactions involving small residues, and several steric zippers stabilizing a novel, orthogonal Greek-key topology. These characteristics contribute to the robust propagation of this fibril form, as evidenced by structural similarity of early-onset PD mutants. The structure provides a framework for understanding the interactions of α-synuclein with other proteins and small molecules to diagnose and treat PD. PMID:27018801

PREFACE: Nanostructured surfaces

NASA Astrophysics Data System (ADS)

Palmer, Richard E.

2003-10-01

We can define nanostructured surfaces as well-defined surfaces which contain lateral features of size 1-100 nm. This length range lies well below the micron regime but equally above the Ångstrom regime, which corresponds to the interatomic distances on single-crystal surfaces. This special issue of Journal of Physics: Condensed Matter presents a collection of twelve papers which together address the fabrication, characterization, properties and applications of such nanostructured surfaces. Taken together they represent, in effect, a status report on the rapid progress taking place in this burgeoning area. The first four papers in this special issue have been contributed by members of the European Research Training Network ‘NanoCluster’, which is concerned with the deposition, growth and characterization of nanometre-scale clusters on solid surfaces—prototypical examples of nanoscale surface features. The paper by Vandamme is concerned with the fundamentals of the cluster-surface interaction; the papers by Gonzalo and Moisala address, respectively, the optical and catalytic properties of deposited clusters; and the paper by van Tendeloo reports the application of transmission electron microscopy (TEM) to elucidate the surface structure of spherical particles in a catalyst support. The fifth paper, by Mendes, is also the fruit of a European Research Training Network (‘Micro-Nano’) and is jointly contributed by three research groups; it reviews the creation of nanostructured surface architectures from chemically-synthesized nanoparticles. The next five papers in this special issue are all concerned with the characterization of nanostructured surfaces with scanning tunnelling microscopy (STM) and atomic force microscopy (AFM). The papers by Bolotov, Hamilton and Dunstan demonstrate that the STM can be employed for local electrical measurements as well as imaging, as illustrated by the examples of deposited clusters, model semiconductor structures and real devices, respectively, while the papers by Ledieu and Guo report the structural characterization of novel surface systems—quasicrystal surfaces and supramolecular monolayers, respectively. The final two papers, by Bennett and Smith, demonstrate the positive interplay between experimental measurements and theoretical modelling in the investigation of nanostructured surfaces. The examples discussed include, respectively, the growth of metal clusters on oxide surfaces and the deposition of fullerenes and energetic clusters from the gas phase. We note finally that the last six papers in this special issue have been contributed by members of the Committee of the newly-formed Nanoscale Physics and Technology Group of the Institute of Physics. The Group shares with this special issue the aim of promoting and disseminating exciting advances in the flourishing field of nanoscale physics.

Clinical Diagnostics in Human Genetics with Semantic Similarity Searches in Ontologies

PubMed Central

Köhler, Sebastian; Schulz, Marcel H.; Krawitz, Peter; Bauer, Sebastian; Dölken, Sandra; Ott, Claus E.; Mundlos, Christine; Horn, Denise; Mundlos, Stefan; Robinson, Peter N.

2009-01-01

The differential diagnostic process attempts to identify candidate diseases that best explain a set of clinical features. This process can be complicated by the fact that the features can have varying degrees of specificity, as well as by the presence of features unrelated to the disease itself. Depending on the experience of the physician and the availability of laboratory tests, clinical abnormalities may be described in greater or lesser detail. We have adapted semantic similarity metrics to measure phenotypic similarity between queries and hereditary diseases annotated with the use of the Human Phenotype Ontology (HPO) and have developed a statistical model to assign p values to the resulting similarity scores, which can be used to rank the candidate diseases. We show that our approach outperforms simpler term-matching approaches that do not take the semantic interrelationships between terms into account. The advantage of our approach was greater for queries containing phenotypic noise or imprecise clinical descriptions. The semantic network defined by the HPO can be used to refine the differential diagnosis by suggesting clinical features that, if present, best differentiate among the candidate diagnoses. Thus, semantic similarity searches in ontologies represent a useful way of harnessing the semantic structure of human phenotypic abnormalities to help with the differential diagnosis. We have implemented our methods in a freely available web application for the field of human Mendelian disorders. PMID:19800049

Soft qualities in healthcare. Method and tools for soft qualities design in hospitals' built environments.

PubMed

Capolongo, S; Bellini, E; Nachiero, D; Rebecchi, A; Buffoli, M

2014-01-01

The design of hospital environments is determined by functional requirements and technical regulations, as well as numerous protocols, which define the structure and system characteristics that such environments need to achieve. In order to improve people's well-being and the quality of their experience within public hospitals, design elements (soft qualities) are added to those 'necessary' features. The aim of this research has been to experiment a new design process and also to create health care spaces with high environmental quality and capable to meet users' emotional and perceptual needs. Such needs were investigated with the help of qualitative research tools and the design criteria for one of these soft qualities - colour - were subsequently defined on the basis of the findings. The colour scheme design for the new San Paolo Hospital Emergency Department in Milan was used as case study. Focus groups were fundamental in defining the project's goals and criteria. The issues raised have led to believe that the proper procedure is not the mere consultation of the users in order to define the goals: users should rather be involved in the whole design process and become co-agents of the choices that determine the environment characteristics, so as to meet the quality requirements identified by the users themselves. The case study has shown the possibility of developing a designing methodology made by three steps (or operational tools) in which users' groups are involved in the choices, loading to plan the environments where compliance with expectations is already implied and verified by means of the process itself. Thus, the method leads to the creation of soft qualities in Healthcare.

The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery.

PubMed

Spyrakis, Francesca; Ahmed, Mostafa H; Bayden, Alexander S; Cozzini, Pietro; Mozzarelli, Andrea; Kellogg, Glen E

2017-08-24

The value of thoroughly understanding the thermodynamics specific to a drug discovery/design study is well known. Over the past decade, the crucial roles of water molecules in protein structure, function, and dynamics have also become increasingly appreciated. This Perspective explores water in the biological environment by adopting its point of view in such phenomena. The prevailing thermodynamic models of the past, where water was seen largely in terms of an entropic gain after its displacement by a ligand, are now known to be much too simplistic. We adopt a set of terminology that describes water molecules as being "hot" and "cold", which we have defined as being easy and difficult to displace, respectively. The basis of these designations, which involve both enthalpic and entropic water contributions, are explored in several classes of biomolecules and structural motifs. The hallmarks for characterizing water molecules are examined, and computational tools for evaluating water-centric thermodynamics are reviewed. This Perspective's summary features guidelines for exploiting water molecules in drug discovery.

Haptic feedback in OP:Sense - augmented reality in telemanipulated robotic surgery.

PubMed

Beyl, T; Nicolai, P; Mönnich, H; Raczkowksy, J; Wörn, H

2012-01-01

In current research, haptic feedback in robot assisted interventions plays an important role. However most approaches to haptic feedback only regard the mapping of the current forces at the surgical instrument to the haptic input devices, whereas surgeons demand a combination of medical imaging and telemanipulated robotic setups. In this paper we describe how this feature is integrated in our robotic research platform OP:Sense. The proposed method allows the automatic transfer of segmented imaging data to the haptic renderer and therefore allows enriching the haptic feedback with virtual fixtures based on imaging data. Anatomical structures are extracted from pre-operative generated medical images or virtual walls are defined by the surgeon inside the imaging data. Combining real forces with virtual fixtures can guide the surgeon to the regions of interest as well as helps to prevent the risk of damage to critical structures inside the patient. We believe that the combination of medical imaging and telemanipulation is a crucial step for the next generation of MIRS-systems.

Core–shell PdPb@Pd aerogels with multiply-twinned intermetallic nanostructures: facile synthesis with accelerated gelation kinetics and their enhanced electrocatalytic properties

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

Zhu, Chengzhou; Shi, Qiurong; Fu, Shaofang

Delicately engineering the well-defined noble metal aerogels with favorable structural and compositional features is of vital importance for wide applications. Here, we reported one-pot and facile method for synthesizing core-shell PdPb@Pd hydrogels/aerogels with multiply-twinned grains and ordered intermetallic phase using sodium hypophosphite as a multifunctional reducing agent. Due to the accelerated gelation kinetics induced by increased reaction temperature and specific function of sodium hypophosphite, the formation of hydrogels can be completed within 4 hrs, far faster than the previous reports. Owe to their unique porous structure and favorable geometric and electronic effects, the optimized PdPb@Pd aerogels exhibit enhanced electrochemical performancemore » towards ethylene glycol oxidation with a mass activity of 5.8 times higher than Pd black.Core–shell PdPb@Pd aerogels with multiply-twinned grains and an ordered intermetallic phase was synthesized, which exhibited good electrocatalytic activity towards ethanol oxidation.« less

Dynamical tuning between nearly perfect reflection, absorption, and transmission of light via graphene/dielectric structures

PubMed Central

Linder, Jacob; Halterman, Klaus

2016-01-01

Exerting well-defined control over the reflection (R), absorption (A), and transmission (T) of electromagnetic waves is a key objective in quantum optics. To this end, one often utilizes hybrid structures comprised of elements with different optical properties in order to achieve features such as high R or high A for incident light. A desirable goal would be the possibility to tune between all three regimes of nearly perfect reflection, absorption, and transmission within the same device, thus swapping between the cases R → 1, A → 1, and T → 1 dynamically. We here show that a dielectric interfaced with a graphene layer on each side allows for precisely this: by tuning only the Fermi level of graphene, all three regimes can be reached in the THz regime and below. Moreover, we show that the inclusion of cylindrical defects in the system offers a different type of control of the scattering of electromagnetic waves by means of the graphene layers. PMID:27917886

Hamiltonian analysis for linearly acceleration-dependent Lagrangians

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

Cruz, Miguel, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx; Gómez-Cortés, Rosario, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx; Rojas, Efraín, E-mail: miguelcruz02@uv.mx, E-mail: roussjgc@gmail.com, E-mail: molgado@fc.uaslp.mx, E-mail: efrojas@uv.mx

2016-06-15

We study the constrained Ostrogradski-Hamilton framework for the equations of motion provided by mechanical systems described by second-order derivative actions with a linear dependence in the accelerations. We stress out the peculiar features provided by the surface terms arising for this type of theories and we discuss some important properties for this kind of actions in order to pave the way for the construction of a well defined quantum counterpart by means of canonical methods. In particular, we analyse in detail the constraint structure for these theories and its relation to the inherent conserved quantities where the associated energies togethermore » with a Noether charge may be identified. The constraint structure is fully analyzed without the introduction of auxiliary variables, as proposed in recent works involving higher order Lagrangians. Finally, we also provide some examples where our approach is explicitly applied and emphasize the way in which our original arrangement results in propitious for the Hamiltonian formulation of covariant field theories.« less

Minimalist Approach to Complexity: Templating the Assembly of DNA Tile Structures with Sequentially Grown Input Strands.

PubMed

Lau, Kai Lin; Sleiman, Hanadi F

2016-07-26

Given its highly predictable self-assembly properties, DNA has proven to be an excellent template toward the design of functional materials. Prominent examples include the remarkable complexity provided by DNA origami and single-stranded tile (SST) assemblies, which require hundreds of unique component strands. However, in many cases, the majority of the DNA assembly is purely structural, and only a small "working area" needs to be aperiodic. On the other hand, extended lattices formed by DNA tile motifs require only a few strands; but they suffer from lack of size control and limited periodic patterning. To overcome these limitations, we adopt a templation strategy, where an input strand of DNA dictates the size and patterning of resultant DNA tile structures. To prepare these templating input strands, a sequential growth technique developed in our lab is used, whereby extended DNA strands of defined sequence and length may be generated simply by controlling their order of addition. With these, we demonstrate the periodic patterning of size-controlled double-crossover (DX) and triple-crossover (TX) tile structures, as well as intentionally designed aperiodicity of a DX tile structure. As such, we are able to prepare size-controlled DNA structures featuring aperiodicity only where necessary with exceptional economy and efficiency.

Cathodoluminescence studies of chevron features in semi-polar (11 2 ¯ 2 ) InGaN/GaN multiple quantum well structures

NASA Astrophysics Data System (ADS)

Brasser, C.; Bruckbauer, J.; Gong, Y.; Jiu, L.; Bai, J.; Warzecha, M.; Edwards, P. R.; Wang, T.; Martin, R. W.

2018-05-01

Epitaxial overgrowth of semi-polar III-nitride layers and devices often leads to arrowhead-shaped surface features, referred to as chevrons. We report on a study into the optical, structural, and electrical properties of these features occurring in two very different semi-polar structures, a blue-emitting multiple quantum well structure, and an amber-emitting light-emitting diode. Cathodoluminescence (CL) hyperspectral imaging has highlighted shifts in their emission energy, occurring in the region of the chevron. These variations are due to different semi-polar planes introduced in the chevron arms resulting in a lack of uniformity in the InN incorporation across samples, and the disruption of the structure which could cause a narrowing of the quantum wells (QWs) in this region. Atomic force microscopy has revealed that chevrons can penetrate over 150 nm into the sample and quench light emission from the active layers. The dominance of non-radiative recombination in the chevron region was exposed by simultaneous measurement of CL and the electron beam-induced current. Overall, these results provide an overview of the nature and impact of chevrons on the luminescence of semi-polar devices.

Context and implementation: A concept analysis towards conceptual maturity.

PubMed

Pfadenhauer, Lisa Maria; Mozygemba, Kati; Gerhardus, Ansgar; Hofmann, Bjørn; Booth, Andrew; Lysdahl, Kristin Bakke; Tummers, Marcia; Burns, Jacob; Rehfuess, Eva Annette

2015-01-01

Context and implementation of health interventions have received increasing attention over the past decade, in particular with respect to their influence on the effectiveness and reach of complex interventions. The underlying concepts are both considered partially mature, limiting their operationalization in research and practice. We conducted systematic literature searches and pragmatic utility (PU) concept analyses to provide a state-of-the-art assessment of the concepts of "context" and "implementation" in the health sciences to create a common understanding for their use within systematic reviews and HTA. We performed two separate searches, one for context (EMBASE, MEDLINE) and the other for implementation (Google Scholar) to identify relevant models, theories and frameworks. 17 publications on context and 35 articles on implementation met our inclusion criteria. PU concept analysis comprises three guiding principles: selection of the literature, organization and structuring of the literature, and asking analytic questions of the literature. Both concepts were analyzed according to four features of conceptual maturity, i.e., consensual definitions, clear characteristics, fully described preconditions and outcomes, and delineated boundaries. Context and implementation are highly intertwined, with both concepts influencing and interacting with each other. Context is defined as a set of characteristics and circumstances that surround the implementation effort. Implementation is conceptualized as a planned and deliberately initiated effort with the intention to put an intervention into practice. The concept of implementation presents largely consensual definitions and relatively well-defined boundaries, while distinguishing features, preconditions and outcomes are not yet fully articulated. In contrast, definitions of context vary widely, and boundaries with neighbouring concepts, such as setting and environment, are blurred; characteristics, preconditions and outcomes are ill-defined. Therefore, the maturity of both concepts should be further improved to facilitate operationalization in systematic reviews and HTAs. Copyright © 2015. Published by Elsevier GmbH.

Dissimilarity representations in lung parenchyma classification

NASA Astrophysics Data System (ADS)

Sørensen, Lauge; de Bruijne, Marleen

2009-02-01

A good problem representation is important for a pattern recognition system to be successful. The traditional approach to statistical pattern recognition is feature representation. More specifically, objects are represented by a number of features in a feature vector space, and classifiers are built in this representation. This is also the general trend in lung parenchyma classification in computed tomography (CT) images, where the features often are measures on feature histograms. Instead, we propose to build normal density based classifiers in dissimilarity representations for lung parenchyma classification. This allows for the classifiers to work on dissimilarities between objects, which might be a more natural way of representing lung parenchyma. In this context, dissimilarity is defined between CT regions of interest (ROI)s. ROIs are represented by their CT attenuation histogram and ROI dissimilarity is defined as a histogram dissimilarity measure between the attenuation histograms. In this setting, the full histograms are utilized according to the chosen histogram dissimilarity measure. We apply this idea to classification of different emphysema patterns as well as normal, healthy tissue. Two dissimilarity representation approaches as well as different histogram dissimilarity measures are considered. The approaches are evaluated on a set of 168 CT ROIs using normal density based classifiers all showing good performance. Compared to using histogram dissimilarity directly as distance in a emph{k} nearest neighbor classifier, which achieves a classification accuracy of 92.9%, the best dissimilarity representation based classifier is significantly better with a classification accuracy of 97.0% (text{emph{p" border="0" class="imgtopleft"> = 0.046).

Using Gaussian windows to explore a multivariate data set

NASA Technical Reports Server (NTRS)

Jaeckel, Louis A.

1991-01-01

In an earlier paper, I recounted an exploratory analysis, using Gaussian windows, of a data set derived from the Infrared Astronomical Satellite. Here, my goals are to develop strategies for finding structural features in a data set in a many-dimensional space, and to find ways to describe the shape of such a data set. After a brief review of Gaussian windows, I describe the current implementation of the method. I give some ways of describing features that we might find in the data, such as clusters and saddle points, and also extended structures such as a 'bar', which is an essentially one-dimensional concentration of data points. I then define a distance function, which I use to determine which data points are 'associated' with a feature. Data points not associated with any feature are called 'outliers'. I then explore the data set, giving the strategies that I used and quantitative descriptions of the features that I found, including clusters, bars, and a saddle point. I tried to use strategies and procedures that could, in principle, be used in any number of dimensions.

Structural health monitoring approach for detecting ice accretion on bridge cable using the Haar Wavelet Transform

NASA Astrophysics Data System (ADS)

Andre, Julia; Kiremidjian, Anne; Liao, Yizheng; Georgakis, Christos; Rajagopal, Ram

2016-04-01

Ice accretion on cables of bridge structures poses serious risk to the structure as well as to vehicular traffic when the ice falls onto the road. Detection of ice formation, quantification of the amount of ice accumulated, and prediction of icefalls will increase the safety and serviceability of the structure. In this paper, an ice accretion detection algorithm is presented based on the Continuous Wavelet Transform (CWT). In the proposed algorithm, the acceleration signals obtained from bridge cables are transformed using wavelet method. The damage sensitive features (DSFs) are defined as a function of the wavelet energy at specific wavelet scales. It is found that as ice accretes on the cables, the mass of cable increases, thus changing the wavelet energies. Hence, the DSFs can be used to track the change of cables mass. To validate the proposed algorithm, we use the data collected from a laboratory experiment conducted at the Technical University of Denmark (DTU). In this experiment, a cable was placed in a wind tunnel as ice volume grew progressively. Several accelerometers were installed at various locations along the testing cable to collect vibration signals.

Exploring the Sequence-based Prediction of Folding Initiation Sites in Proteins.

PubMed

Raimondi, Daniele; Orlando, Gabriele; Pancsa, Rita; Khan, Taushif; Vranken, Wim F

2017-08-18

Protein folding is a complex process that can lead to disease when it fails. Especially poorly understood are the very early stages of protein folding, which are likely defined by intrinsic local interactions between amino acids close to each other in the protein sequence. We here present EFoldMine, a method that predicts, from the primary amino acid sequence of a protein, which amino acids are likely involved in early folding events. The method is based on early folding data from hydrogen deuterium exchange (HDX) data from NMR pulsed labelling experiments, and uses backbone and sidechain dynamics as well as secondary structure propensities as features. The EFoldMine predictions give insights into the folding process, as illustrated by a qualitative comparison with independent experimental observations. Furthermore, on a quantitative proteome scale, the predicted early folding residues tend to become the residues that interact the most in the folded structure, and they are often residues that display evolutionary covariation. The connection of the EFoldMine predictions with both folding pathway data and the folded protein structure suggests that the initial statistical behavior of the protein chain with respect to local structure formation has a lasting effect on its subsequent states.

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

Roy, D.W.; Schmitt, L.; Woussen, G.

Airborne SAR images provided essential clues to the tectonic setting of (1) the MbLg 6.5 Saguenay earthquake of 25 November 1988, (2) the Charlevoix-Kamouraska seismic source zone, and (3) some of the low *eve* seismic activity in the Eastern seismic background zone of Canada. The event occurred in the southeastern part of the Canadian Shield in an area where the boundary between the Saguenay graben and the Jacques Cartier horst is not well defined. These two tectonic blocks are both associated with the Iapetan St-Lawrence rift. These blocks exhibit several important structural breaks and distinct domains defined by the lineamentmore » orientations, densities, and habits. Outcrop observations confirm that several lineament sets correspond to Precambrian ductile shear zones reactivated as brittle faults during the Phanerozoic. In addition, the northeast and southwest limits of recent seismic activity in the Charlevoix-Kamouraska zone correspond to major elements of the fracture pattern identified on the SAR images. These fractures appear to be related to the interaction of the Charlevoix astrobleme with the tectonic features of the area. 20 refs.« less

Local Structure Theory for Cellular Automata.

NASA Astrophysics Data System (ADS)

Gutowitz, Howard Andrew

The local structure theory (LST) is a generalization of the mean field theory for cellular automata (CA). The mean field theory makes the assumption that iterative application of the rule does not introduce correlations between the states of cells in different positions. This assumption allows the derivation of a simple formula for the limit density of each possible state of a cell. The most striking feature of CA is that they may well generate correlations between the states of cells as they evolve. The LST takes the generation of correlation explicitly into account. It thus has the potential to describe statistical characteristics in detail. The basic assumption of the LST is that though correlation may be generated by CA evolution, this correlation decays with distance. This assumption allows the derivation of formulas for the estimation of the probability of large blocks of states in terms of smaller blocks of states. Given the probabilities of blocks of size n, probabilities may be assigned to blocks of arbitrary size such that these probability assignments satisfy the Kolmogorov consistency conditions and hence may be used to define a measure on the set of all possible (infinite) configurations. Measures defined in this way are called finite (or n-) block measures. A function called the scramble operator of order n maps a measure to an approximating n-block measure. The action of a CA on configurations induces an action on measures on the set of all configurations. The scramble operator is combined with the CA map on measure to form the local structure operator (LSO). The LSO of order n maps the set of n-block measures into itself. It is hypothesised that the LSO applied to n-block measures approximates the rule itself on general measures, and does so increasingly well as n increases. The fundamental advantage of the LSO is that its action is explicitly computable from a finite system of rational recursion equations. Empirical study of a number of CA rules demonstrates the potential of the LST to describe the statistical features of CA. The behavior of some simple rules is derived analytically. Other rules have more complex, chaotic behavior. Even for these rules, the LST yields an accurate portrait of both small and large time statistics.

Radar Imaging of Europa's Subsurface Properties and Processes: The View from Earth

NASA Astrophysics Data System (ADS)

Blankenship, D. D.; Moore, W. B.; Young, D. A.; Peters, M. E.

2007-12-01

A primary objective of future Europa studies will be to characterize the distribution of shallow subsurface water as well as to identify any ice-ocean interface. Another objective will be to understand the formation of surface and subsurface features associated with interchange processes between any ocean and the surface. Achieving these objectives will require either direct or inferred knowledge of the position of any ice/water interfaces as well as any brine or layer pockets. We will review the hypothesized processes that control the thermal, compositional and structural (TCS) properties, and therefore the dielectric character, of the subsurface of Europa's icy shell. Our approach will be to extract the TCS properties for various subsurface processes thought to control the formation of major surface (e.g., ridges/bands, lenticulae, chaos, cratering...) and subsurface (e.g., rigid shell eutectics, diapirs, accretionary lenses ...) features on Europa. We will then assess the spectrum of analog processes and TCS properties represented by Earth's cryosphere including both Arctic and Antarctic ice sheets, ice shelves and valley glaciers. There are few complete analogs over the full TCS space but, because of the wide range of ice thickness, impurities and strain rates for Earth's cryosphere, there are many more analogs than many Earth and planetary researchers might imagine for significant portions of this space (e.g., bottom crevasses, marine ice shelf/subglacial lake accretion, surging polythermal glaciers...).Our ultimate objective is to use these Earth analog studies to define the radar imaging approach for Europa's subsurface that will be most useful for supporting/refuting the hypotheses for the formation of major surface/subsurface features as well as for "pure" exploration of Europa's icy shell and its interface with the underlying ocean.

Geochemical and Mineralogical Analyses of Cold Spring Deposits at Borup Fiord Pass, a Sulfur-Dominated Arctic Analog for Planetary Environments on Mars and Europa

NASA Astrophysics Data System (ADS)

Lau, Graham Elliot

Sulfur is one of the most ubiquitous elements in the universe and one of those that is crucial for life, as we know it. This graduate dissertation presents the culmination of work conducted to better understand biological and geochemical processes related to sulfur cycling at a sulfur-dominated field site in the Canadian High Arctic. This site, situated in a valley called Borup Fiord Pass, provides a unique environment where sulfide-rich fluids emerge from a glacier and form large deposits of ice that become covered in elemental sulfur. The role of biology is compelling and yet challenging to define in each step of sulfur cycling at Borup Fiord pass, whether one considers the origin of the sulfide (presumed biological sulfate reduction in the subsurface) or one focuses on the processes driving sulfur oxidation and stabilization at the glacier's surface. This dissertation presents results from a field expedition in 2014 as well as detailed mineralogical and spectroscopic analyses of sulfur-rich materials returned from the field. The importance of sulfur and carbonate minerals at this site is considered. Also, analyses of materials within pyrite alteration features in the valley are explored. These features appear to represent emplaced subsurface sulfide ores, which have been subsequently leached near the surface, forming gossanous structures. The geochemistry and mineralogy of these features is explored, as well as is their potential to serve as analogs for the exploration of Mars. The dissertation then concludes with some consideration of potential future work to be considered as well as a recapitulation of the current state of knowledge of processes at Borup Fiord Pass.

Photoluminescence of amorphous and crystalline silicon nanoclusters in silicon nitride and oxide superlattices

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

Shuleiko, D. V., E-mail: shuleyko.dmitriy@physics.msu.ru; Zabotnov, S. V.; Zhigunov, D. M.

2017-02-15

The photoluminescence properties of silicon nitride and oxide superlattices fabricated by plasmaenhanced chemical vapor deposition are studied. In the structures annealed at a temperature of 1150°C, photoluminescence peaks at about 1.45 eV are recorded. The peaks are defined by exciton recombination in silicon nanocrystals formed upon annealing. Along with the 1.45-eV peaks, a number of peaks defined by recombination at defects at the interface between the nanocrystals and silicon-nitride matrix are detected. The structures annealed at 900°C exhibit a number of photoluminescence peaks in the range 1.3–2.0 eV. These peaks are defined by both the recombination at defects and excitonmore » recombination in amorphous silicon nanoclusters formed at an annealing temperature of 900°C. The observed features of all of the photoluminescence spectra are confirmed by the nature of the photoluminescence kinetics.« less

Topological Structure of the Space of Phenotypes: The Case of RNA Neutral Networks

PubMed Central

Aguirre, Jacobo; Buldú, Javier M.; Stich, Michael; Manrubia, Susanna C.

2011-01-01

The evolution and adaptation of molecular populations is constrained by the diversity accessible through mutational processes. RNA is a paradigmatic example of biopolymer where genotype (sequence) and phenotype (approximated by the secondary structure fold) are identified in a single molecule. The extreme redundancy of the genotype-phenotype map leads to large ensembles of RNA sequences that fold into the same secondary structure and can be connected through single-point mutations. These ensembles define neutral networks of phenotypes in sequence space. Here we analyze the topological properties of neutral networks formed by 12-nucleotides RNA sequences, obtained through the exhaustive folding of sequence space. A total of 412 sequences fragments into 645 subnetworks that correspond to 57 different secondary structures. The topological analysis reveals that each subnetwork is far from being random: it has a degree distribution with a well-defined average and a small dispersion, a high clustering coefficient, and an average shortest path between nodes close to its minimum possible value, i.e. the Hamming distance between sequences. RNA neutral networks are assortative due to the correlation in the composition of neighboring sequences, a feature that together with the symmetries inherent to the folding process explains the existence of communities. Several topological relationships can be analytically derived attending to structural restrictions and generic properties of the folding process. The average degree of these phenotypic networks grows logarithmically with their size, such that abundant phenotypes have the additional advantage of being more robust to mutations. This property prevents fragmentation of neutral networks and thus enhances the navigability of sequence space. In summary, RNA neutral networks show unique topological properties, unknown to other networks previously described. PMID:22028856

Application of two-dimensional NMR spectroscopy and molecular dynamics simulations to the conformational analysis of oligosaccharides corresponding to the cell-wall polysaccharide of Streptococcus group A.

PubMed

Kreis, U C; Varma, V; Pinto, B M

1995-06-01

This paper describes the use of a protocol for conformational analysis of oligosaccharide structures related to the cell-wall polysaccharide of Streptococcus group A. The polysaccharide features a branched structure with an L-rhamnopyranose (Rhap) backbone consisting of alternating alpha-(1-->2) and alpha-(1-->3) links and D-N-acetylglucosamine (GlcpNAc) residues beta-(1-->3)-connected to alternating rhamnose rings: [formula: see text] Oligomers consisting of three to six residues have been synthesized and nuclear magnetic resonance (NMR) assignments have been made. The protocol for conformational analysis of the solution structure of these oligosaccharides involves experimental and theoretical methods. Two-dimensional NMR spectroscopy methods (TOCSY, ROESY and NOESY) are utilized to obtain chemical shift data and proton-proton distances. These distances are used as constraints in 100 ps molecular dynamics simulations in water using QUANTA and CHARMm. In addition, the dynamics simulations are performed without constraints. ROE build-up curves are computed from the averaged structures of the molecular dynamics simulations using the CROSREL program and compared with the experimental curves. Thus, a refinement of the initial structure may be obtained. The alpha-(1-->2) and the beta-(1-->3) links are unambiguously defined by the observed ROE cross peaks between the A-B',A'-B and C-B,C'-B' residues, respectively. The branch-point of the trisaccharide CBA' is conformationally well-defined. Assignment of the conformation of the B-A linkage (alpha-(1-->3)) was problematic due to TOCSY relay, but could be solved by NOESY and T-ROESY techniques. A conformational model for the polysaccharide is proposed.

Beyond the frontiers of neuronal types

PubMed Central

Battaglia, Demian; Karagiannis, Anastassios; Gallopin, Thierry; Gutch, Harold W.; Cauli, Bruno

2012-01-01

Cortical neurons and, particularly, inhibitory interneurons display a large diversity of morphological, synaptic, electrophysiological, and molecular properties, as well as diverse embryonic origins. Various authors have proposed alternative classification schemes that rely on the concomitant observation of several multimodal features. However, a broad variability is generally observed even among cells that are grouped into a same class. Furthermore, the attribution of specific neurons to a single defined class is often difficult, because individual properties vary in a highly graded fashion, suggestive of continua of features between types. Going beyond the description of representative traits of distinct classes, we focus here on the analysis of atypical cells. We introduce a novel paradigm for neuronal type classification, assuming explicitly the existence of a structured continuum of diversity. Our approach, grounded on the theory of fuzzy sets, identifies a small optimal number of model archetypes. At the same time, it quantifies the degree of similarity between these archetypes and each considered neuron. This allows highlighting archetypal cells, which bear a clear similarity to a single model archetype, and edge cells, which manifest a convergence of traits from multiple archetypes. PMID:23403725

2006 Compilation of Alaska Gravity Data and Historical Reports

USGS Publications Warehouse

Saltus, Richard W.; Brown, Philip J.; Morin, Robert L.; Hill, Patricia L.

2008-01-01

Gravity anomalies provide fundamental geophysical information about Earth structure and dynamics. To increase geologic and geodynamic understanding of Alaska, the U.S. Geological Survey (USGS) has collected and processed Alaska gravity data for the past 50 years. This report introduces and describes an integrated, State-wide gravity database and provides accompanying gravity calculation tools to assist in its application. Additional information includes gravity base station descriptions and digital scans of historical USGS reports. The gravity calculation tools enable the user to reduce new gravity data in a consistent manner for combination with the existing database. This database has sufficient resolution to define the regional gravity anomalies of Alaska. Interpretation of regional gravity anomalies in parts of the State are hampered by the lack of local isostatic compensation in both southern and northern Alaska. However, when filtered appropriately, the Alaska gravity data show regional features having geologic significance. These features include gravity lows caused by low-density rocks of Cenozoic basins, flysch belts, and felsic intrusions, as well as many gravity highs associated with high-density mafic and ultramafic complexes.

Coastal habitats as surrogates for taxonomic, functional and trophic structures of benthic faunal communities.

PubMed

Törnroos, Anna; Nordström, Marie C; Bonsdorff, Erik

2013-01-01

Due to human impact, there is extensive degradation and loss of marine habitats, which calls for measures that incorporate taxonomic as well as functional and trophic aspects of biodiversity. Since such data is less easily quantifiable in nature, the use of habitats as surrogates or proxies for biodiversity is on the rise in marine conservation and management. However, there is a critical gap in knowledge of whether pre-defined habitat units adequately represent the functional and trophic structure of communities. We also lack comparisons of different measures of community structure in terms of both between- (β) and within-habitat (α) variability when accounting for species densities. Thus, we evaluated a priori defined coastal habitats as surrogates for traditional taxonomic, functional and trophic zoobenthic community structure. We focused on four habitats (bare sand, canopy-forming algae, seagrass above- and belowground), all easily delineated in nature and defined through classification systems. We analyzed uni- and multivariate data on species and trait diversity as well as stable isotope ratios of benthic macrofauna. A good fit between habitat types and taxonomic and functional structure was found, although habitats were more similar functionally. This was attributed to within-habitat heterogeneity so when habitat divisions matched the taxonomic structure, only bare sand was functionally distinct. The pre-defined habitats did not meet the variability of trophic structure, which also proved to differentiate on a smaller spatial scale. The quantification of trophic structure using species density only identified an epi- and an infaunal unit. To summarize the results we present a conceptual model illustrating the match between pre-defined habitat types and the taxonomic, functional and trophic community structure. Our results show the importance of including functional and trophic aspects more comprehensively in marine management and spatial planning.

Features extraction in anterior and posterior cruciate ligaments analysis.

PubMed

Zarychta, P

2015-12-01

The main aim of this research is finding the feature vectors of the anterior and posterior cruciate ligaments (ACL and PCL). These feature vectors have to clearly define the ligaments structure and make it easier to diagnose them. Extraction of feature vectors is obtained by analysis of both anterior and posterior cruciate ligaments. This procedure is performed after the extraction process of both ligaments. In the first stage in order to reduce the area of analysis a region of interest including cruciate ligaments (CL) is outlined in order to reduce the area of analysis. In this case, the fuzzy C-means algorithm with median modification helping to reduce blurred edges has been implemented. After finding the region of interest (ROI), the fuzzy connectedness procedure is performed. This procedure permits to extract the anterior and posterior cruciate ligament structures. In the last stage, on the basis of the extracted anterior and posterior cruciate ligament structures, 3-dimensional models of the anterior and posterior cruciate ligament are built and the feature vectors created. This methodology has been implemented in MATLAB and tested on clinical T1-weighted magnetic resonance imaging (MRI) slices of the knee joint. The 3D display is based on the Visualization Toolkit (VTK). Copyright © 2015 Elsevier Ltd. All rights reserved.

Relationships between tectonism, volcano-tectonism and volcanism: the Ischia island (Italy) case.

NASA Astrophysics Data System (ADS)

Marotta, E.; de Vita, S.; Orsi, G.; Sansivero, F.

2005-12-01

The resurgent calderas of Ischia, Campi Flegrei and Pantelleria are characterized by differentially displaced blocks, and distribution of later eruption vents in a well defined sector of the resurgent area. These features suggest a simple shearing block resurgence mechanism. Moreover, the studies carried out on Ischia and Campi Flegrei evidenced a very complex structural pattern due to deformation related to the local stress regime induced by magmatism and volcanism and also to reactivation of regional structures. In order to better define the relationships among tectonic, volcano-tectonic and caldera resurgence mechanism, a structural study has been carried out at Ischia, where the Mt. Epomeo has been uplifted of about 900 m in the past 30 ka. The measures taken on 1,400 planar surfaces (faults, joints and fracture cleavages) show that the resurgent area is composed of differentially displaced blocks whose uplifting is maximum for the Mt. Epomeo and decreases southeastward. The resurgent area has a poligonal shape resulting from the reactivation of regional faults and by the activation of faults directly related to volcano-tectonism. The limit of the resurgent area is not defined towards the north, as beach deposits displaced at variable elevation by E-W and NW-SE trending faults, are exposed along the coastline. The western sector is bordered by inward-dipping, high-angle reverse faults, whose directions vary from N40E to NS and N50W from NW to SW of the block, testifying a compressional stress regime active in this area. These features are cut by late outward-dipping normal faults due to gravitational readjustment of the slopes. Vertical faults border the block at NE ad SW with right transtensive and left transpressive movements, respectively. The area located to the east of the most uplifted block, characterized by a tensile stress regime, has been deformed by N-S, N40-70E and N15W trending normal faults, with maximum elongation direction along N50W. The results of our study and the volcanological data of the past 3 ka, suggest that the eastern part of the resurgent block is the area with highest probability of vent opening in case of renewal of volcanism. Occurrence of landslides just before and after eruptions, suggest that resurgence occurs through discontinuous vertical movements which likely trigger the volcanic activity.

Public Higher Education Governing Boards: The Role of Social Networks

ERIC Educational Resources Information Center

Miller, Emily R.

2011-01-01

A defining feature of American higher education is the provision for authority over the institution by an external governing board consisting of lay members of the public (Thelin, 2004). Studies of higher education governing boards typically focus on structure and performance (Kezar & Eckel, 2004; Kezar, 2006; McGuinness, 2003; Minor, 2006;…

Empowering Organizations: Approaches to Tobacco Control through Youth Empowerment Programs

ERIC Educational Resources Information Center

LeRoy, Lisa; Benet, Dana Jones; Mason, Theresa; Austin, W. David; Mills, Sherry

2004-01-01

Whereas most evaluations of youth empowerment focus on individual outcomes (i.e., were individual youths empowered?), this article focuses on the program as the unit of analysis and seeks to explain how organizational structures, program design features, and processes lead to organizational empowerment (OE). OE is defined as organizational efforts…

Substantial gaps in knowledge of Bordetella pertussis antibody and T cell epitopes relevant for natural immunity and vaccine efficacy

PubMed Central

Vaughan, Kerrie; Seymour, Emily; Peters, Bjoern; Sette, Alessandro

2016-01-01

The recent increase in whooping cough in vaccinated populations has been attributed to waning immunity associated with the acellular vaccine. The Immune Epitope Database (IEDB) is a repository of immune epitope data from the published literature and includes T cell and antibody epitopes for human pathogens. The IEDB conducted a review of the epitope literature, which revealed 300 Bordetella pertussis-related epitopes from 39 references. Epitope data are currently available for six virulence factors of B. pertussis: pertussis toxin, pertactin, fimbrial 2, fimbrial 3, adenylate cyclase and filamentous hemagglutinin. The majority of epitopes were defined for antibody reactivity; fewer T cell determinants were reported. Analysis of available protective correlates data revealed a number of candidate epitopes; however few are defined in humans and few have been shown to be protective. Moreover, there are a limited number of studies defining epitopes from natural infection versus whole cell or acellular/subunit vaccines. The relationship between epitope location and structural features, as well as antigenic drift (SNP analysis) was also investigated. We conclude that the cumulative data is yet insufficient to address many fundamental questions related to vaccine failure and this underscores the need for further investigation of B. pertussis immunity at the molecular level. PMID:24530743

An Efficient and Robust Moving Shadow Removal Algorithm and Its Applications in ITS

NASA Astrophysics Data System (ADS)

Lin, Chin-Teng; Yang, Chien-Ting; Shou, Yu-Wen; Shen, Tzu-Kuei

2010-12-01

We propose an efficient algorithm for removing shadows of moving vehicles caused by non-uniform distributions of light reflections in the daytime. This paper presents a brand-new and complete structure in feature combination as well as analysis for orientating and labeling moving shadows so as to extract the defined objects in foregrounds more easily in each snapshot of the original files of videos which are acquired in the real traffic situations. Moreover, we make use of Gaussian Mixture Model (GMM) for background removal and detection of moving shadows in our tested images, and define two indices for characterizing non-shadowed regions where one indicates the characteristics of lines and the other index can be characterized by the information in gray scales of images which helps us to build a newly defined set of darkening ratios (modified darkening factors) based on Gaussian models. To prove the effectiveness of our moving shadow algorithm, we carry it out with a practical application of traffic flow detection in ITS (Intelligent Transportation System)—vehicle counting. Our algorithm shows the faster processing speed, 13.84 ms/frame, and can improve the accuracy rate in 4% ~ 10% for our three tested videos in the experimental results of vehicle counting.

Crystal structure and optical properties of silver nanorings

NASA Astrophysics Data System (ADS)

Zhou, Li; Fu, Xiao-Feng; Yu, Liao; Zhang, Xian; Yu, Xue-Feng; Hao, Zhong-Hua

2009-04-01

We report the polyol synthesis and crystal structure characterization of silver nanorings, which have perfect circular shape, smooth surface, and elliptical wire cross-section. The characterization results show that the silver nanorings have well-defined crystal of singly twinned along the whole ring. The spatial distribution of the scattering of a silver nanoring with slanted incidence reveals the unique focus effect of the nanoring, and the focus scattering varies with the incident wavelength. The silver nanorings with perfect geometry and well-defined crystal have potential applications in nanoscaled photonics, plasmonic devices, and optical manipulation.

Tools reference manual for a Requirements Specification Language (RSL), version 2.0

NASA Technical Reports Server (NTRS)

Fisher, Gene L.; Cohen, Gerald C.

1993-01-01

This report describes a general-purpose Requirements Specification Language, RSL. The purpose of RSL is to specify precisely the external structure of a mechanized system and to define requirements that the system must meet. A system can be comprised of a mixture of hardware, software, and human processing elements. RSL is a hybrid of features found in several popular requirements specification languages, such as SADT (Structured Analysis and Design Technique), PSL (Problem Statement Language), and RMF (Requirements Modeling Framework). While languages such as these have useful features for structuring a specification, they generally lack formality. To overcome the deficiencies of informal requirements languages, RSL has constructs for formal mathematical specification. These constructs are similar to those found in formal specification languages such as EHDM (Enhanced Hierarchical Development Methodology), Larch, and OBJ3.

Self-Assembly of an α-Helical Peptide into a Crystalline Two-Dimensional Nanoporous Framework

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

Magnotti, Elizabeth L.; Hughes, Spencer A.; Dillard, Rebecca S.

Sequence-specific peptides have been demonstrated to self-assemble into structurally defined nanoscale objects including nanofibers, nanotubes, and nanosheets. The latter structures display significant promise for the construction of hybrid materials for functional devices due to their extended planar geometry. Realization of this objective necessitates the ability to control the structural features of the resultant assemblies through the peptide sequence. The design of a amphiphilic peptide, 3FD-IL, is described that comprises two repeats of a canonical 18 amino acid sequence associated with straight α-helical structures. Peptide 3FD-IL displays 3-fold screw symmetry in a helical conformation and self-assembles into nanosheets based on hexagonalmore » packing of helices. Biophysical evidence from TEM, cryo-TEM, SAXS, AFM, and STEM measurements on the 3FD-IL nanosheets support a structural model based on a honeycomb lattice, in which the length of the peptide determines the thickness of the nanosheet and the packing of helices defines the presence of nanoscale channels that permeate the sheet. The honeycomb structure can be rationalized on the basis of geometrical packing frustration in which the channels occupy defect sites that define a periodic superlattice. In conclusion, the resultant 2D materials may have potential as materials for nanoscale transport and controlled release applications.« less

Self-Assembly of an α-Helical Peptide into a Crystalline Two-Dimensional Nanoporous Framework

DOE PAGES

Magnotti, Elizabeth L.; Hughes, Spencer A.; Dillard, Rebecca S.; ...

2016-11-22

Sequence-specific peptides have been demonstrated to self-assemble into structurally defined nanoscale objects including nanofibers, nanotubes, and nanosheets. The latter structures display significant promise for the construction of hybrid materials for functional devices due to their extended planar geometry. Realization of this objective necessitates the ability to control the structural features of the resultant assemblies through the peptide sequence. The design of a amphiphilic peptide, 3FD-IL, is described that comprises two repeats of a canonical 18 amino acid sequence associated with straight α-helical structures. Peptide 3FD-IL displays 3-fold screw symmetry in a helical conformation and self-assembles into nanosheets based on hexagonalmore » packing of helices. Biophysical evidence from TEM, cryo-TEM, SAXS, AFM, and STEM measurements on the 3FD-IL nanosheets support a structural model based on a honeycomb lattice, in which the length of the peptide determines the thickness of the nanosheet and the packing of helices defines the presence of nanoscale channels that permeate the sheet. The honeycomb structure can be rationalized on the basis of geometrical packing frustration in which the channels occupy defect sites that define a periodic superlattice. In conclusion, the resultant 2D materials may have potential as materials for nanoscale transport and controlled release applications.« less

What Is Educational Technology?

ERIC Educational Resources Information Center

Ingle, Henry T.

1975-01-01

Featured in this issue are the English translations of two speeches delivered to graduate students in educational technology at Pontificia Universidade, Porto Alegre, Brazil. Henry Ingle defines educational technology in the traditional as well as modern sense, describes its essential elements, and discusses situations in which the use of…

Dirac fermions and pseudomagnetic fields in two-dimensional electron gases with triangular antidot lattices

NASA Astrophysics Data System (ADS)

Li, Yun-Mei; Zhou, Xiaoying; Zhang, Yan-Yang; Zhang, Dong; Chang, Kai

2017-07-01

We investigate theoretically the electronic properties of two-dimensional electron gases (2DEGs) with regular and distorted triangular antidot lattices. We show that the triangular antidot lattices embedded in 2DEGs behave like artificial graphene and host Dirac fermions. By introducing the Wannier representation, we obtain a tight-binding Hamiltonian including the second-nearest-neighboring hopping, which agrees well with the numerically exact solutions. Based on the tight-binding model, we find that spatially nonuniform distortions of the antidot lattices strongly modify the electronic structures, generate pseudomagnetic fields and the well-defined Landau levels. In contrast to graphene, we can design the nonuniform distortions to generate various configurations of pseudomagnetic fields. We show that the snake orbital states arise by designing the ±B pseudomagnetic field configuration. We find that the disorders of antidot lattices during fabrication would not affect the basic feature of the Dirac electrons, but they lead to a reduction in conductance in strong disorder cases.

GEMPIC: geometric electromagnetic particle-in-cell methods

NASA Astrophysics Data System (ADS)

Kraus, Michael; Kormann, Katharina; Morrison, Philip J.; Sonnendrücker, Eric

2017-08-01

We present a novel framework for finite element particle-in-cell methods based on the discretization of the underlying Hamiltonian structure of the Vlasov-Maxwell system. We derive a semi-discrete Poisson bracket, which retains the defining properties of a bracket, anti-symmetry and the Jacobi identity, as well as conservation of its Casimir invariants, implying that the semi-discrete system is still a Hamiltonian system. In order to obtain a fully discrete Poisson integrator, the semi-discrete bracket is used in conjunction with Hamiltonian splitting methods for integration in time. Techniques from finite element exterior calculus ensure conservation of the divergence of the magnetic field and Gauss' law as well as stability of the field solver. The resulting methods are gauge invariant, feature exact charge conservation and show excellent long-time energy and momentum behaviour. Due to the generality of our framework, these conservation properties are guaranteed independently of a particular choice of the finite element basis, as long as the corresponding finite element spaces satisfy certain compatibility conditions.

Some fundamental concepts in remote sensing

NASA Technical Reports Server (NTRS)

1982-01-01

The term remote sensing is defined as well as ideas such as class, pattern, feature, pattern recognition, feature extraction, and theme. The electromagnetic spectrum is examined especially those wavelength regions available to remote sensing. Relevant energy and wave propagation laws are discussed and the characteristics of emitted and reflected radiation and their detection are investigated. The identification of classes by their spectral signatures, the multispectral approach, and the principal types of sensors and platforms used in remote sensing are also considered.

SWIFT2: Software for continuous ensemble short-term streamflow forecasting for use in research and operations

NASA Astrophysics Data System (ADS)

Perraud, Jean-Michel; Bennett, James C.; Bridgart, Robert; Robertson, David E.

2016-04-01

Research undertaken through the Water Information Research and Development Alliance (WIRADA) has laid the foundations for continuous deterministic and ensemble short-term forecasting services. One output of this research is the software Short-term Water Information Forecasting Tools version 2 (SWIFT2). SWIFT2 is developed for use in research on short term streamflow forecasting techniques as well as operational forecasting services at the Australian Bureau of Meteorology. The variety of uses in research and operations requires a modular software system whose components can be arranged in applications that are fit for each particular purpose, without unnecessary software duplication. SWIFT2 modelling structures consist of sub-areas of hydrologic models, nodes and links with in-stream routing and reservoirs. While this modelling structure is customary, SWIFT2 is built from the ground up for computational and data intensive applications such as ensemble forecasts necessary for the estimation of the uncertainty in forecasts. Support for parallel computation on multiple processors or on a compute cluster is a primary use case. A convention is defined to store large multi-dimensional forecasting data and its metadata using the netCDF library. SWIFT2 is written in modern C++ with state of the art software engineering techniques and practices. A salient technical feature is a well-defined application programming interface (API) to facilitate access from different applications and technologies. SWIFT2 is already seamlessly accessible on Windows and Linux via packages in R, Python, Matlab and .NET languages such as C# and F#. Command line or graphical front-end applications are also feasible. This poster gives an overview of the technology stack, and illustrates the resulting features of SWIFT2 for users. Research and operational uses share the same common core C++ modelling shell for consistency, but augmented by different software modules suitable for each context. The accessibility via interactive modelling languages is particularly amenable to using SWIFT2 in exploratory research, with a dynamic and versatile experimental modelling workflow. This does not come at the expense of the stability and reliability required for use in operations, where only mature and stable components are used.

Evidence for Recent Extension and Volcanism inside the Southern Margin of Mare Frigoris

NASA Astrophysics Data System (ADS)

Albin, Edward F.; Harris, R. Scott

2014-11-01

We report the identification of possible recent volcanic activity inside the southern margin of Mare Frigoris. Evidence includes two elliptical constructs with associated dark flows found at 56.6° N, - 19.7° W, north of the La Condamine J impact crater. They were discovered on high resolution (0.5 m/pixel) LROC WAC and NAC imagery (e.g., M188379739R and M142393589L) by the first author while performing a systematic geologic overview of the area.The constructs occur along a 3.2 km lineament trending southwest to northwest. The southwestern construct is the largest, measuring approximately 1.4 km in diameter by 65 m in height while the northeastern structure measures 1.2 km wide by 40 m high. The summits appear to be concave and contain well-defined pits 190 m and 120 m in diameter, respectively, each encircled by a deposit of raised material. Distinct dark deposits, exhibiting flow lobes, emanate from the pits. In addition, rubbly, flow-like dark deposits are found sporadically along the flanks of each feature.We interpret these structures as low profile steep-sided volcanic domes. Hawke et al. (2014) discussed volcanic constructs in the eastern part of Mare Frigoris; however, the features described in this study appear to be significantly younger. The domes may represent upwelling along a localized rift. Continued extension on the flanks appears to have released discrete dark flows. Well-defined flows crossing the floors of summit pits appear to have flowed uphill. We suggest that the evacuation of the magma chambers beneath these flows caused subsidence, forming the pits and giving the illusion that the lava flowed up and over the rims. Although the age of these constructs and flows is unknown, the paucity of impact craters suggests that they are relatively young. These could represent very recent eruptions of evolved magma on the Moon, similar to those reported by Jolliff et al. (2011). References: B. R. Hawke et al., 2014, LPSC, 45, 1318. Jolliff et al., 2012, Nature Geoscience, 4, 566-571.

A parallel implementation of the Wuchty algorithm with additional experimental filters to more thoroughly explore RNA conformational space.

PubMed

Stone, Jonathan W; Bleckley, Samuel; Lavelle, Sean; Schroeder, Susan J

2015-01-01

We present new modifications to the Wuchty algorithm in order to better define and explore possible conformations for an RNA sequence. The new features, including parallelization, energy-independent lonely pair constraints, context-dependent chemical probing constraints, helix filters, and optional multibranch loops, provide useful tools for exploring the landscape of RNA folding. Chemical probing alone may not necessarily define a single unique structure. The helix filters and optional multibranch loops are global constraints on RNA structure that are an especially useful tool for generating models of encapsidated viral RNA for which cryoelectron microscopy or crystallography data may be available. The computations generate a combinatorially complete set of structures near a free energy minimum and thus provide data on the density and diversity of structures near the bottom of a folding funnel for an RNA sequence. The conformational landscapes for some RNA sequences may resemble a low, wide basin rather than a steep funnel that converges to a single structure.

REGARDING THE LINE-OF-SIGHT BARYONIC ACOUSTIC FEATURE IN THE SLOAN DIGITAL SKY SURVEY AND BARYON OSCILLATION SPECTROSCOPIC SURVEY LUMINOUS RED GALAXY SAMPLES

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

Kazin, Eyal A.; Blanton, Michael R.; Scoccimarro, Roman

2010-08-20

We analyze the line-of-sight baryonic acoustic feature in the two-point correlation function {xi} of the Sloan Digital Sky Survey luminous red galaxy (LRG) sample (0.16 < z < 0.47). By defining a narrow line-of-sight region, r{sub p} < 5.5 h {sup -1} Mpc, where r{sub p} is the transverse separation component, we measure a strong excess of clustering at {approx}110 h {sup -1} Mpc, as previously reported in the literature. We also test these results in an alternative coordinate system, by defining the line of sight as {theta} < 3{sup 0}, where {theta} is the opening angle. This clustering excessmore » appears much stronger than the feature in the better-measured monopole. A fiducial {Lambda}CDM nonlinear model in redshift space predicts a much weaker signature. We use realistic mock catalogs to model the expected signal and noise. We find that the line-of-sight measurements can be explained well by our mocks as well as by a featureless {xi} = 0. We conclude that there is no convincing evidence that the strong clustering measurement is the line-of-sight baryonic acoustic feature. We also evaluate how detectable such a signal would be in the upcoming Baryon Oscillation Spectroscopic Survey (BOSS) LRG volume. Mock LRG catalogs (z < 0.6) suggest that (1) the narrow line-of-sight cylinder and cone defined above probably will not reveal a detectable acoustic feature in BOSS; (2) a clustering measurement as high as that in the current sample can be ruled out (or confirmed) at a high confidence level using a BOSS-sized data set; (3) an analysis with wider angular cuts, which provide better signal-to-noise ratios, can nevertheless be used to compare line-of-sight and transverse distances, and thereby constrain the expansion rate H(z) and diameter distance D{sub A}(z).« less

Detection of silicate emission features in the 8- to 13-micron spectra of main belt asteroids

NASA Technical Reports Server (NTRS)

Feierberg, M. A.; Witteborn, F. C.; Lebofsky, L. A.

1983-01-01

A presentation is given of 8.0-13.0 micron spectra (Delta lambda/lambda = 0.02-0.03) for six main belt asteroids, which range from 58 to 220 km in diameter and sample the five principal taxonomic classes (C, S, M, R and E). Narrow, well-defined silicate emission features are present on two of the asteroids, the C-type 19 Fortuna and the M-type 21 Lutetia. No comparable emission features are observed on the S-types 11 Parthenope and 14 Irene, the R-type 349 Dembowska or the E-type 64 Angelina.

A hierarchical fuzzy rule-based approach to aphasia diagnosis.

PubMed

Akbarzadeh-T, Mohammad-R; Moshtagh-Khorasani, Majid

2007-10-01

Aphasia diagnosis is a particularly challenging medical diagnostic task due to the linguistic uncertainty and vagueness, inconsistencies in the definition of aphasic syndromes, large number of measurements with imprecision, natural diversity and subjectivity in test objects as well as in opinions of experts who diagnose the disease. To efficiently address this diagnostic process, a hierarchical fuzzy rule-based structure is proposed here that considers the effect of different features of aphasia by statistical analysis in its construction. This approach can be efficient for diagnosis of aphasia and possibly other medical diagnostic applications due to its fuzzy and hierarchical reasoning construction. Initially, the symptoms of the disease which each consists of different features are analyzed statistically. The measured statistical parameters from the training set are then used to define membership functions and the fuzzy rules. The resulting two-layered fuzzy rule-based system is then compared with a back propagating feed-forward neural network for diagnosis of four Aphasia types: Anomic, Broca, Global and Wernicke. In order to reduce the number of required inputs, the technique is applied and compared on both comprehensive and spontaneous speech tests. Statistical t-test analysis confirms that the proposed approach uses fewer Aphasia features while also presenting a significant improvement in terms of accuracy.

Cemento-osseous dysplasia of the jaw bones: key radiographic features

PubMed Central

Alsufyani, NA; Lam, EWN

2011-01-01

Objective The purpose of this study is to assess possible diagnostic differences between general dentists (GPs) and oral and maxillofacial radiologists (RGs) in the identification of pathognomonic radiographic features of cemento-osseous dysplasia (COD) and its interpretation. Methods Using a systematic objective survey instrument, 3 RGs and 3 GPs reviewed 50 image sets of COD and similarly appearing entities (dense bone island, cementoblastoma, cemento-ossifying fibroma, fibrous dysplasia, complex odontoma and sclerosing osteitis). Participants were asked to identify the presence or absence of radiographic features and then to make an interpretation of the images. Results RGs identified a well-defined border (odds ratio (OR) 6.67, P < 0.05); radiolucent periphery (OR 8.28, P < 0.005); bilateral occurrence (OR 10.23, P < 0.01); mixed radiolucent/radiopaque internal structure (OR 10.53, P < 0.01); the absence of non-concentric bony expansion (OR 7.63, P < 0.05); and the association with anterior and posterior teeth (OR 4.43, P < 0.05) as key features of COD. Consequently, RGs were able to correctly interpret 79.3% of COD cases. In contrast, GPs identified the absence of root resorption (OR 4.52, P < 0.05) and the association with anterior and posterior teeth (OR 3.22, P = 0.005) as the only key features of COD and were able to correctly interpret 38.7% of COD cases. Conclusions There are statistically significant differences between RGs and GPs in the identification and interpretation of the radiographic features associated with COD (P < 0.001). We conclude that COD is radiographically discernable from other similarly appearing entities only if the characteristic radiographic features are correctly identified and then correctly interpreted. PMID:21346079

Cemento-osseous dysplasia of the jaw bones: key radiographic features.

PubMed

Alsufyani, N A; Lam, E W N

2011-03-01

The purpose of this study is to assess possible diagnostic differences between general dentists (GPs) and oral and maxillofacial radiologists (RGs) in the identification of pathognomonic radiographic features of cemento-osseous dysplasia (COD) and its interpretation. Using a systematic objective survey instrument, 3 RGs and 3 GPs reviewed 50 image sets of COD and similarly appearing entities (dense bone island, cementoblastoma, cemento-ossifying fibroma, fibrous dysplasia, complex odontoma and sclerosing osteitis). Participants were asked to identify the presence or absence of radiographic features and then to make an interpretation of the images. RGs identified a well-defined border (odds ratio (OR) 6.67, P < 0.05); radiolucent periphery (OR 8.28, P < 0.005); bilateral occurrence (OR 10.23, P < 0.01); mixed radiolucent/radiopaque internal structure (OR 10.53, P < 0.01); the absence of non-concentric bony expansion (OR 7.63, P < 0.05); and the association with anterior and posterior teeth (OR 4.43, P < 0.05) as key features of COD. Consequently, RGs were able to correctly interpret 79.3% of COD cases. In contrast, GPs identified the absence of root resorption (OR 4.52, P < 0.05) and the association with anterior and posterior teeth (OR 3.22, P = 0.005) as the only key features of COD and were able to correctly interpret 38.7% of COD cases. There are statistically significant differences between RGs and GPs in the identification and interpretation of the radiographic features associated with COD (P < 0.001). We conclude that COD is radiographically discernable from other similarly appearing entities only if the characteristic radiographic features are correctly identified and then correctly interpreted.

Theoretical Investigations of Well-Defined Graphene Nanostructures: Catalysis, Spectroscopy, and Development of Novel Fragment-Based Models

NASA Astrophysics Data System (ADS)

Noffke, Benjamin W.

Carbon materials have the potential to replace some precious metals in renewable energy applications. These materials are particularly attractive because of the elemental abundance and relatively low nuclear mass of carbon, implying economically feasible and lightweight materials. Targeted design of carbon materials is hindered by the lack of fundamental understanding that is required to tailor their properties for the desired application. However, most available synthetic methods to create carbon materials involve harsh conditions that limit the control of the resulting structure. Without a well-defined structure, the system is too complex and fundamental studies cannot be definitive. This work seeks to gain fundamental understanding through the development and application of efficient computational models for these systems, in conjunction with experiments performed on soluble, well-defined graphene nanostructures prepared by our group using a bottom-up synthetic approach. Theory is used to determine mechanistic details for well-defined carbon systems in applications of catalysis and electrochemical transformations. The resulting computational models do well to explain previous observations of carbon materials and provide suggestions for future directions. However, as the system size of the nanostructures gets larger, the computational cost can become prohibitive. To reduce the computational scaling of quantum chemical calculations, a new fragmentation scheme has been developed that addresses the challenges of fragmenting conjugated molecules. By selecting fragments that retain important structural characteristics in graphene, a more efficient method is achieved. The new method paves the way for an automated, systematic fragmentation scheme of graphene molecules.

Aspects of three-dimensional strain at the margin of the extensional orogen, Virgin River depression area, Nevada, Utah, and Arizona

USGS Publications Warehouse

Anderson, R.E.; Barnhard, T.P.

1993-01-01

The Virgin River depression and surrounding mountains are Neogene features that are partly contiguous with the little-strained rocks of the structural transition to the Colorado Plateau province. This contiguity makes the area ideally suited for evaluating the sense, magnitude, and kinematics of Neogene deformation. Analysis along the strain boundary shows that, compared to the adjacent little-strained area, large-magnitude vertical deformation greatly exceeds extensional deformation and that significant amounts of lateral displacement approximately parallel the province boundary. Isostatic rebound following tectonic denudation is an unlikely direct cause of the strong vertical structural relief adjacent to the strain boundary. Instead, the observed structures are first-order features defining a three-dimensional strain field produced by approximately east-west extension, vertical structural attenuation, and extension-normal shortening. All major structural elements of the strain-boundary strain field are also found in the adjacent Basin and Range. -from Authors

Sediment and nutrient delivery from thermokarst features in the foothills of the North Slope, Alaska: Potential impacts on headwater stream ecosystems

USGS Publications Warehouse

Bowden, W.B.; Gooseff, M.N.; Balser, A.; Green, A.; Peterson, B.J.; Bradford, J.

2008-01-01

Permafrost is a defining characteristic of the Arctic environment. However, climate warming is thawing permafrost in many areas leading to failures in soil structure called thermokarst. An extensive survey of a 600 km2 area in and around the Toolik Lake Natural Research Area (TLNRA) revealed at least 34 thermokarst features, two thirds of which were new since ???1980 when a high resolution aerial survey of the area was done. Most of these thermokarst features were associated with headwater streams or lakes. We have measured significantly increased sediment and nutrient loading from thermokarst features to streams in two well-studied locations near the TLNRA. One small thermokarst gully that formed in 2003 on the Toolik River in a 0.9 km2 subcatchment delivered more sediment to the river than is normally delivered in 18 years from 132 km2 in the adjacent upper Kuparuk River basin (a long-term monitoring reference site). Ammonium, nitrate, and phosphate concentrations downstream from a thermokarst feature on Imnavait Creek increased significantly compared to upstream reference concentrations and the increased concentrations persisted over the period of sampling (1999-2005). The downstream concentrations were similar to those we have used in a long-term experimental manipulation of the Kuparuk River and that have significantly altered the structure and function of that river. A subsampling of other thermokarst features from the extensive regional survey showed that concentrations of ammonium, nitrate, and phosphate were always higher downstream of the thermokarst features. Our previous research has shown that even minor increases in nutrient loading stimulate primary and secondary production. However, increased sediment loading could interfere with benthic communities and change the responses to increased nutrient delivery. Although the terrestrial area impacted by thermokarsts is limited, the aquatic habitat altered by these failures can be extensive. If warming in the Arctic foothills accelerates thermokarst formation, there may be substantial and wide-spread impacts on arctic stream ecosystems that are currently poorly understood. Copyright 2008 by the American Geophysical Union.

Long-term memory for temporal structure: evidence form the identification of well-known and novel songs.

PubMed

Schulkind, M D

1999-09-01

In three experiments, long-term memory for temporal structure was examined by having participants identify both well-known (e.g., "I've Been Working on the Railroad") and novel songs. The target songs were subjected to a number of rhythmic alterations, to assess the importance of four critical features of identification performance. The four critical features were meter, phrasing, rhythmic contour (ordinal scaling of note durations), and the ratio of successive durations. In contrast with previous work, the unaltered version of each song was identified significantly better than any altered version. This indicates that rhythm is stored in long-term memory. Furthermore, the results demonstrated that all four critical features play a role in the identification of songs. These results held for both well-known and novel tunes.

A comparison of linear approaches to filter out environmental effects in structural health monitoring

NASA Astrophysics Data System (ADS)

Deraemaeker, A.; Worden, K.

2018-05-01

This paper discusses the possibility of using the Mahalanobis squared-distance to perform robust novelty detection in the presence of important environmental variability in a multivariate feature vector. By performing an eigenvalue decomposition of the covariance matrix used to compute that distance, it is shown that the Mahalanobis squared-distance can be written as the sum of independent terms which result from a transformation from the feature vector space to a space of independent variables. In general, especially when the size of the features vector is large, there are dominant eigenvalues and eigenvectors associated with the covariance matrix, so that a set of principal components can be defined. Because the associated eigenvalues are high, their contribution to the Mahalanobis squared-distance is low, while the contribution of the other components is high due to the low value of the associated eigenvalues. This analysis shows that the Mahalanobis distance naturally filters out the variability in the training data. This property can be used to remove the effect of the environment in damage detection, in much the same way as two other established techniques, principal component analysis and factor analysis. The three techniques are compared here using real experimental data from a wooden bridge for which the feature vector consists in eigenfrequencies and modeshapes collected under changing environmental conditions, as well as damaged conditions simulated with an added mass. The results confirm the similarity between the three techniques and the ability to filter out environmental effects, while keeping a high sensitivity to structural changes. The results also show that even after filtering out the environmental effects, the normality assumption cannot be made for the residual feature vector. An alternative is demonstrated here based on extreme value statistics which results in a much better threshold which avoids false positives in the training data, while allowing detection of all damaged cases.

Changing culture in the home health setting: strategies for success.

PubMed

Boan, David

2006-01-01

Organizational culture is generally defined as the internal attributes of the staff, such as their values, beliefs, and attitudes. Although technically accurate as a definition, personal attributes defy direct intervention, leading some to question whether it is possible to change culture. It is proposed that it is possible to change the personal internal attributes that define organizational culture by changing the characteristic structures and behaviors of the organization that shape those attributes. This model, called the Quality Capability Model, creates an approach to culture change that accommodates the unique features of home health.

Structural damage detection based on stochastic subspace identification and statistical pattern recognition: I. Theory

NASA Astrophysics Data System (ADS)

Ren, W. X.; Lin, Y. Q.; Fang, S. E.

2011-11-01

One of the key issues in vibration-based structural health monitoring is to extract the damage-sensitive but environment-insensitive features from sampled dynamic response measurements and to carry out the statistical analysis of these features for structural damage detection. A new damage feature is proposed in this paper by using the system matrices of the forward innovation model based on the covariance-driven stochastic subspace identification of a vibrating system. To overcome the variations of the system matrices, a non-singularity transposition matrix is introduced so that the system matrices are normalized to their standard forms. For reducing the effects of modeling errors, noise and environmental variations on measured structural responses, a statistical pattern recognition paradigm is incorporated into the proposed method. The Mahalanobis and Euclidean distance decision functions of the damage feature vector are adopted by defining a statistics-based damage index. The proposed structural damage detection method is verified against one numerical signal and two numerical beams. It is demonstrated that the proposed statistics-based damage index is sensitive to damage and shows some robustness to the noise and false estimation of the system ranks. The method is capable of locating damage of the beam structures under different types of excitations. The robustness of the proposed damage detection method to the variations in environmental temperature is further validated in a companion paper by a reinforced concrete beam tested in the laboratory and a full-scale arch bridge tested in the field.

Model of outgrowths in the spiral galaxies NGC 4921 and NGC 7049 and the origin of spiral arms

NASA Astrophysics Data System (ADS)

Carlqvist, Per

2013-02-01

NGC 4921 and 7049 are two spiral galaxies presenting narrow, distinct dust features. A detailed study of the morphology of those features has been carried out using Hubble Space Telescope archival images. NGC 4921 shows a few but well-defined dust arms midway to its centre while NGC 7049 displays many more dusty features, mainly collected within a ring-shaped formation. Numerous dark and filamentary structures, called outgrowths, are found to protrude from the dusty arms in both galaxies. The outgrowths point both outwards and inwards in the galaxies. Mostly they are found to be V-shaped or Y-shaped with the branches connected to dark arm filaments. Often the stem of the Y appears to consist of intertwined filaments. Remarkably, the outgrowths show considerable similarities to elephant trunks in H ii regions. A model of the outgrowths, based on magnetized filaments, is proposed. The model provides explanations of both the shapes and orientations of the outgrowths. Most important, it can also give an account for their intertwined structures. It is found that the longest outgrowths are confusingly similar to dusty spiral arms. This suggests that some of the outgrowths can develop into such arms. The time-scale of the development is estimated to be on the order of the rotation period of the arms or shorter. Similar processes may also take place in other spiral galaxies. If so, the model of the outgrowths can offer a new approach to the old winding problem of spiral arms.

Diversity of Neuropeptide Cell-Cell Signaling Molecules Generated by Proteolytic Processing Revealed by Neuropeptidomics Mass Spectrometry

NASA Astrophysics Data System (ADS)

Hook, Vivian; Lietz, Christopher B.; Podvin, Sonia; Cajka, Tomas; Fiehn, Oliver

2018-05-01

Neuropeptides are short peptides in the range of 3-40 residues that are secreted for cell-cell communication in neuroendocrine systems. In the nervous system, neuropeptides comprise the largest group of neurotransmitters. In the endocrine system, neuropeptides function as peptide hormones to coordinate intercellular signaling among target physiological systems. The diversity of neuropeptide functions is defined by their distinct primary sequences, peptide lengths, proteolytic processing of pro-neuropeptide precursors, and covalent modifications. Global, untargeted neuropeptidomics mass spectrometry is advantageous for defining the structural features of the thousands to tens of thousands of neuropeptides present in biological systems. Defining neuropeptide structures is the basis for defining the proteolytic processing pathways that convert pro-neuropeptides into active peptides. Neuropeptidomics has revealed that processing of pro-neuropeptides occurs at paired basic residues sites, and at non-basic residue sites. Processing results in neuropeptides with known functions and generates novel peptides representing intervening peptide domains flanked by dibasic residue processing sites, identified by neuropeptidomics. While very short peptide products of 2-4 residues are predicted from pro-neuropeptide dibasic processing sites, such peptides have not been readily identified; therefore, it will be logical to utilize metabolomics to identify very short peptides with neuropeptidomics in future studies. Proteolytic processing is accompanied by covalent post-translational modifications (PTMs) of neuropeptides comprising C-terminal amidation, N-terminal pyroglutamate, disulfide bonds, phosphorylation, sulfation, acetylation, glycosylation, and others. Neuropeptidomics can define PTM features of neuropeptides. In summary, neuropeptidomics for untargeted, global analyses of neuropeptides is essential for elucidation of proteases that generate diverse neuropeptides for cell-cell signaling. [Figure not available: see fulltext.

Diversity of Neuropeptide Cell-Cell Signaling Molecules Generated by Proteolytic Processing Revealed by Neuropeptidomics Mass Spectrometry

NASA Astrophysics Data System (ADS)

Hook, Vivian; Lietz, Christopher B.; Podvin, Sonia; Cajka, Tomas; Fiehn, Oliver

2018-04-01

Neuropeptides are short peptides in the range of 3-40 residues that are secreted for cell-cell communication in neuroendocrine systems. In the nervous system, neuropeptides comprise the largest group of neurotransmitters. In the endocrine system, neuropeptides function as peptide hormones to coordinate intercellular signaling among target physiological systems. The diversity of neuropeptide functions is defined by their distinct primary sequences, peptide lengths, proteolytic processing of pro-neuropeptide precursors, and covalent modifications. Global, untargeted neuropeptidomics mass spectrometry is advantageous for defining the structural features of the thousands to tens of thousands of neuropeptides present in biological systems. Defining neuropeptide structures is the basis for defining the proteolytic processing pathways that convert pro-neuropeptides into active peptides. Neuropeptidomics has revealed that processing of pro-neuropeptides occurs at paired basic residues sites, and at non-basic residue sites. Processing results in neuropeptides with known functions and generates novel peptides representing intervening peptide domains flanked by dibasic residue processing sites, identified by neuropeptidomics. While very short peptide products of 2-4 residues are predicted from pro-neuropeptide dibasic processing sites, such peptides have not been readily identified; therefore, it will be logical to utilize metabolomics to identify very short peptides with neuropeptidomics in future studies. Proteolytic processing is accompanied by covalent post-translational modifications (PTMs) of neuropeptides comprising C-terminal amidation, N-terminal pyroglutamate, disulfide bonds, phosphorylation, sulfation, acetylation, glycosylation, and others. Neuropeptidomics can define PTM features of neuropeptides. In summary, neuropeptidomics for untargeted, global analyses of neuropeptides is essential for elucidation of proteases that generate diverse neuropeptides for cell-cell signaling. [Figure not available: see fulltext.

Multiple methods integration for structural mechanics analysis and design

NASA Technical Reports Server (NTRS)

Housner, J. M.; Aminpour, M. A.

1991-01-01

A new research area of multiple methods integration is proposed for joining diverse methods of structural mechanics analysis which interact with one another. Three categories of multiple methods are defined: those in which a physical interface are well defined; those in which a physical interface is not well-defined, but selected; and those in which the interface is a mathematical transformation. Two fundamental integration procedures are presented that can be extended to integrate various methods (e.g., finite elements, Rayleigh Ritz, Galerkin, and integral methods) with one another. Since the finite element method will likely be the major method to be integrated, its enhanced robustness under element distortion is also examined and a new robust shell element is demonstrated.

LANDSAT image studies as applied to petroleum exploration in Kenya

NASA Technical Reports Server (NTRS)

Miller, J. B.

1975-01-01

The Chevron-Kenya oil license, acquired in 1972, covers an area at the north end of the Lamu Embayment. Immediately after acquisition, a photogeologic study of the area was made followed by a short field inspection. An interpretation of LANDSAT-1 images as a separate attempt to improve geological knowledge was completed. The method used in the image study, the multispectral characteristics of rock units and terrain, and the observed anomalous features as seen in the LANDSAT imagery are described. It was found that the study helped to define the relationship of the Lamu Embayment and its internal structure with surrounding regional features, such as the East Africa rifting, the Rudolf Trough, the Bur Acaba structural ridge, and the Ogaden Basin.

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

NASA Technical Reports Server (NTRS)

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

1972-01-01

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

Geomorphology and Neogene tectonic evolution of the Palomares continental margin (Western Mediterranean)

NASA Astrophysics Data System (ADS)

Gómez de la Peña, Laura; Gràcia, Eulàlia; Muñoz, Araceli; Acosta, Juan; Gómez-Ballesteros, María; R. Ranero, César; Uchupi, Elazar

2016-10-01

The Palomares continental margin is located in the southeastern part of Spain. The margin main structure was formed during Miocene times, and it is currently part of the wide deformation zone characterizing the region between the Iberian and African plates, where no well-defined plate boundary occurs. The convergence between these two plates is here accommodated by several structures, including the left lateral strike-slip Palomares Fault. The region is characterized by sparse, low to moderate magnitude (Mw < 5.2) shallow instrumental earthquakes, although large historical events have also occurred. To understand the recent tectonic history of the margin we analyze new high-resolution multibeam bathymetry data and re-processed three multichannel seismic reflection profiles crossing the main structures. The analysis of seafloor morphology and associated subsurface structure provides new insights of the active tectonic features of the area. In contrast to other segments of the southeastern Iberian margin, the Palomares margin contains numerous large and comparatively closely spaced canyons with heads that reach near the coast. The margin relief is also characterized by the presence of three prominent igneous submarine ridges that include the Aguilas, Abubacer and Maimonides highs. Erosive processes evidenced by a number of scars, slope failures, gullies and canyon incisions shape the present-day relief of the Palomares margin. Seismic images reveal the deep structure distinguishing between Miocene structures related to the formation of the margin and currently active features, some of which may reactivate inherited structures. The structure of the margin started with an extensional phase accompanied by volcanic accretion during the Serravallian, followed by a compressional pulse that started during the Latemost Tortonian. Nowadays, tectonic activity offshore is subdued and limited to few, minor faults, in comparison with the activity recorded onshore. The deep Algero-Balearic Basin is affected by surficial processes, associated to halokinesis of Messinian evaporites.

Development of Seismic Isolation Systems Using Periodic Materials

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

Yan, Yiqun; Mo, Yi-Lung; Menq, Farn-Yuh

Advanced fast nuclear power plants and small modular fast reactors are composed of thin-walled structures such as pipes; as a result, they do not have sufficient inherent strength to resist seismic loads. Seismic isolation, therefore, is an effective solution for mitigating earthquake hazards for these types of structures. Base isolation, on which numerous studies have been conducted, is a well-defined structure protection system against earthquakes. In conventional isolators, such as high-damping rubber bearings, lead-rubber bearings, and friction pendulum bearings, large relative displacements occur between upper structures and foundations. Only isolation in a horizontal direction is provided; these features are notmore » desirable for the piping systems. The concept of periodic materials, based on the theory of solid-state physics, can be applied to earthquake engineering. The periodic material is a material that possesses distinct characteristics that prevent waves with certain frequencies from being transmitted through it; therefore, this material can be used in structural foundations to block unwanted seismic waves with certain frequencies. The frequency band of periodic material that can filter out waves is called the band gap, and the structural foundation made of periodic material is referred to as the periodic foundation. The design of a nuclear power plant, therefore, can be unified around the desirable feature of a periodic foundation, while the continuous maintenance of the structure is not needed. In this research project, three different types of periodic foundations were studied: one-dimensional, two-dimensional, and three-dimensional. The basic theories of periodic foundations are introduced first to find the band gaps; then the finite element methods are used, to perform parametric analysis, and obtain attenuation zones; finally, experimental programs are conducted, and the test data are analyzed to verify the theory. This procedure shows that the periodic foundation is a promising and effective way to mitigate structural damage caused by earthquake excitation.« less

Chlorophyll-a thin layers in the Magellan fjord system: The role of the water column stratification

NASA Astrophysics Data System (ADS)

Ríos, Francisco; Kilian, Rolf; Mutschke, Erika

2016-08-01

Fjord systems represent hotspots of primary productivity and organic carbon burial. However, the factors which control the primary production in mid-latitude fjords are poorly understood. In this context, results from the first fine-scale measurements of bio-oceanographic features in the water column of fjords associated with the Strait of Magellan are presented. A submersible fluorescence probe (FP) was used to measure the Chlorophyll-a (Chl-a) concentration in situ, along with conductivity, temperature, hydrostatic pressure (depth) and dissolved oxygen (CTD-O2) of the water column. The Austral spring results of 14 FP-CTD-O2 profiles were used to define the vertical and horizontal patches of the fluorescent pigment distribution and their spatial relations with respect to the observed hydrographic features. Three zones with distinct water structures were defined. In all zones, the 'brown' spectral group (diatoms and dinoflagellates) predominated accounting for >80 wt% of the phytoplankton community. Thin layers with high Chl-a concentration were detected in 50% of the profiles. These layers harbored a substantial amount (30-65 wt%) of the phytoplankton biomass. Stratification was positively correlated to the occurrence of Chl-a thin layers. In stable and highly stratified water columns the integrated Chl-a concentration was higher and frequently located within thin layers whereas well mixed water columns displayed lower values and more homogeneous vertical distribution of Chl-a. These results indicate that mixing/stability processes are important factors accounting to the vertical distribution of Chl-a in Magellan fjords.

Preliminary Geological Map of the Ac-H-14 Yalode Quadrangle of Ceres: An Integrated Mapping Study Using Dawn Spacecraft Data

NASA Astrophysics Data System (ADS)

Crown, D. A.; Yingst, R. A.; Mest, S. C.; Platz, T.; Williams, D. A.; Buczkowski, D.; Schenk, P.; Scully, J. E. C.; Jaumann, R.; Roatsch, T.; Preusker, F.; Nathues, A.; Hoffmann, M.; Schäfer, M.; Marchi, S.; De Sanctis, M. C.; Russell, C.; Raymond, C. A.

2015-12-01

We are conducting a geologic mapping investigation of the Ac-H-14 Yalode Quadrangle (21-66°S, 270-360°E) of Ceres to examine its surface geology and geologic history. At the time of this writing, geologic mapping has been performed on Dawn Framing Camera (FC) mosaics from the late Approach phase (up to 1.3 km/px) and Survey orbit (415 m/px), including clear filter and color images and digital terrain models derived from stereo images. In Fall 2015 images from the High Altitude Mapping Orbit (140 m/px) will be used to refine the mapping, followed by the Low Altitude Mapping Orbit (35 m/px) starting in December 2015. The Yalode Quadrangle is dominated by the ~300-km diameter impact basin Yalode and includes rugged and smooth terrains to the east. Yalode basin has a variably preserved rim, which is continuous and sharply defined to the north/northwest and is irregular or degraded elsewhere, and may have an interior ring structure. The basin floor includes hummocky and smooth areas (some bounded by scarps), crater chains, and a lineated zone. High-resolution images will be used to search for volcanic features on the basin floor and in association with basin structures. Yalode basin and its floor deposits appear to have been strongly affected by the Urvara impact to the west. Impact craters in Yalode Quadrangle display a range of preservation states. Degraded features, including Yalode basin and numerous smaller craters, exhibit subdued rims, lack discrete ejecta deposits, and have infilled interiors. More pristine features (including the large unnamed basin in the SE corner of the quadrangle and craters on Yalode basin floor) have well-defined, quasi-circular forms with prominent rims and in some cases discernible ejecta. Some of these craters have bowl-shaped interiors and others contain hills or mounds on their floors. Support of the Dawn Instrument, Operations, and Science Teams is acknowledged. This work is supported by grants from NASA, MPG, and DLR.

Emerging perspectives on essential amino acid metabolism in obesity and the insulin-resistant states

USDA-ARS?s Scientific Manuscript database

Dysregulation of insulin action is most often considered in the context of impaired glucose homeostasis, with the defining feature of diabetes mellitus being elevated blood glucose concentration. Complications arising from the hyperglycemia accompanying frank diabetes are well-known, and epidemiolo...

The potential of audiomagnetotellurics in the study of geothermal fields: A case study from the northern segment of the La Candelaria Range, northwestern Argentina

NASA Astrophysics Data System (ADS)

Barcelona, Hernan; Favetto, Alicia; Peri, Veronica Gisel; Pomposiello, Cristina; Ungarelli, Carlo

2013-01-01

Despite its reduced penetration depth, audiomagnetotelluric (AMT) studies can be used to determine a broad range of features related to little studied geothermal fields. This technique requires a stepwise interpretation of results taking into consideration diverse information (e.g. topographic, hydrological, geological and/or structural data) to constrain the characteristics of the study area. In this work, an AMT study was performed at the hot springs in the northern segment of the La Candelaria Range in order to characterize the area at depth. Geometric aspects of the shallow subsurface were determined based on the dimensional and distortion analysis of the impedance tensors. Also, the correlation between structural features and regional strikes allowed us to define two geoelectric domains, useful to determine the controls on fluid circulation. The subsurface resistivity distribution was determined through 1D and 2D models. The patterns of the 1D models were compared with the morpho-structure of the range. Shallow and deep conductive zones were defined and a possible shallow geothermal system scheme proposed. A strong correlation was found between the AMT results and the geological framework of the region, showing the relevance of using AMT in geothermal areas during the early stages of subsurface prospecting.

Clinical Features and Associated Likelihood of Primary Ciliary Dyskinesia in Children and Adolescents.

PubMed

Leigh, Margaret W; Ferkol, Thomas W; Davis, Stephanie D; Lee, Hye-Seung; Rosenfeld, Margaret; Dell, Sharon D; Sagel, Scott D; Milla, Carlos; Olivier, Kenneth N; Sullivan, Kelli M; Zariwala, Maimoona A; Pittman, Jessica E; Shapiro, Adam J; Carson, Johnny L; Krischer, Jeffrey; Hazucha, Milan J; Knowles, Michael R

2016-08-01

Primary ciliary dyskinesia (PCD), a genetically heterogeneous, recessive disorder of motile cilia, is associated with distinct clinical features. Diagnostic tests, including ultrastructural analysis of cilia, nasal nitric oxide measurements, and molecular testing for mutations in PCD genes, have inherent limitations. To define a statistically valid combination of systematically defined clinical features that strongly associates with PCD in children and adolescents. Investigators at seven North American sites in the Genetic Disorders of Mucociliary Clearance Consortium prospectively and systematically assessed individuals (aged 0-18 yr) referred due to high suspicion for PCD. The investigators defined specific clinical questions for the clinical report form based on expert opinion. Diagnostic testing was performed using standardized protocols and included nasal nitric oxide measurement, ciliary biopsy for ultrastructural analysis of cilia, and molecular genetic testing for PCD-associated genes. Final diagnoses were assigned as "definite PCD" (hallmark ultrastructural defects and/or two mutations in a PCD-associated gene), "probable/possible PCD" (no ultrastructural defect or genetic diagnosis, but compatible clinical features and nasal nitric oxide level in PCD range), and "other diagnosis or undefined." Criteria were developed to define early childhood clinical features on the basis of responses to multiple specific queries. Each defined feature was tested by logistic regression. Sensitivity and specificity analyses were conducted to define the most robust set of clinical features associated with PCD. From 534 participants 18 years of age and younger, 205 were identified as having "definite PCD" (including 164 with two mutations in a PCD-associated gene), 187 were categorized as "other diagnosis or undefined," and 142 were defined as having "probable/possible PCD." Participants with "definite PCD" were compared with the "other diagnosis or undefined" group. Four criteria-defined clinical features were statistically predictive of PCD: laterality defect; unexplained neonatal respiratory distress; early-onset, year-round nasal congestion; and early-onset, year-round wet cough (adjusted odds ratios of 7.7, 6.6, 3.4, and 3.1, respectively). The sensitivity and specificity based on the number of criteria-defined clinical features were four features, 0.21 and 0.99, respectively; three features, 0.50 and 0.96, respectively; and two features, 0.80 and 0.72, respectively. Systematically defined early clinical features could help identify children, including infants, likely to have PCD. Clinical trial registered with ClinicalTrials.gov (NCT00323167).

PDF investigations of turbulent non-premixed jet flames with thin reaction zones

NASA Astrophysics Data System (ADS)

Wang, Haifeng; Pope, Stephen

2012-11-01

PDF (probability density function) modeling studies are carried out for the Sydney piloted jet flames. These Sydney flames feature much thinner reaction zones in the mixture fraction space compared to those in the well-studied Sandia piloted jet flames. The performance of the different turbulent combustion models in the Sydney flames with thin reaction zones has not been examined extensively before, and this work aims at evaluating the capability of the PDF method to represent the thin turbulent flame structures in the Sydney piloted flames. Parametric and sensitivity PDF studies are performed with respect to the different models and model parameters. A global error parameter is defined to quantify the departure of the simulation results from the experimental data, and is used to assess the performance of the different set of models and model parameters.

On the track to silica-supported tungsten oxo metathesis catalysts: input from 17O solid-state NMR.

PubMed

Merle, Nicolas; Girard, Guillaume; Popoff, Nicolas; De Mallmann, Aimery; Bouhoute, Yassine; Trébosc, Julien; Berrier, Elise; Paul, Jean-François; Nicholas, Christopher P; Del Rosal, Iker; Maron, Laurent; Gauvin, Régis M; Delevoye, Laurent; Taoufik, Mostafa

2013-09-03

The grafting of an oxo chloro trisalkyl tungsten derivative on silica dehydroxylated at 700 °C was studied by several techniques that showed reaction via W-Cl cleavage, to afford a well-defined precatalyst for alkene metathesis. This was further confirmed by DFT calculations on the grafting process. (17)O labeling of the oxo moiety of a series of related molecular and supported tungsten oxo derivatives was achieved, and the corresponding (17)O MAS NMR spectra were recorded. Combined experimental and theoretical NMR studies yielded information on the local structure of the surface species. Assessment of the (17)O NMR parameters also confirmed the nature of the grafting pathway by ruling out other possible grafting schemes, thanks to highly characteristic anisotropic features arising from the quadrupolar and chemical shift interactions.

Mass Spectrometry Imaging and GC-MS Profiling of the Mammalian Peripheral Sensory-Motor Circuit

NASA Astrophysics Data System (ADS)

Rubakhin, Stanislav S.; Ulanov, Alexander; Sweedler, Jonathan V.

2015-06-01

Matrix-assisted laser desorption/ionization (MALDI) mass spectrometry imaging (MSI) has evolved to become an effective discovery tool in science and clinical diagnostics. Here, chemical imaging approaches are applied to well-defined regions of the mammalian peripheral sensory-motor system, including the dorsal root ganglia (DRG) and adjacent nerves. By combining several MSI approaches, analyte coverage is increased and 195 distinct molecular features are observed. Principal component analysis suggests three chemically different regions within the sensory-motor system, with the DRG and adjacent nerve regions being the most distinct. Investigation of these regions using gas chromatography-mass spectrometry corroborate these findings and reveal important metabolic markers related to the observed differences. The heterogeneity of the structurally, physiologically, and functionally connected regions demonstrates the intricate chemical and spatial regulation of their chemical composition.

Artificial Bone and Teeth through Controlled Ice Growth in Colloidal Suspensions

NASA Astrophysics Data System (ADS)

Tomsia, Antoni P.; Saiz, Eduardo; Deville, Sylvain

2007-06-01

The formation of regular patterns is a common feature of many solidification processes involving cast materials. We describe here how regular patterns can be obtained in porous alumina and hydroxyapatite (HAP) by controlling the freezing of ceramic slurries followed by subsequent ice sublimation and sintering, leading to multilayered porous ceramic structures with homogeneous and well-defined architecture. These porous materials can be infiltrated with a second phase of choice to yield biomimetic nacre-like composites with improved mechanical properties, which could be used for artificial bone and teeth applications. Proper control of the solidification patterns provides powerful means of control over the final functional properties. We discuss the relationships between the experimental results, ice growth fundamentals, the physics of ice and the interaction between inert particles and the solidification front during directional freezing.

Artificial Bone and Teeth through Controlled Ice Growth in Colloidal Suspensions

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

Tomsia, Antoni P.; Saiz, Eduardo; Deville, Sylvain

2007-06-14

The formation of regular patterns is a common feature of many solidification processes involving cast materials. We describe here how regular patterns can be obtained in porous alumina and hydroxyapatite (HAP) by controlling the freezing of ceramic slurries followed by subsequent ice sublimation and sintering, leading to multilayered porous ceramic structures with homogeneous and well-defined architecture. These porous materials can be infiltrated with a second phase of choice to yield biomimetic nacre-like composites with improved mechanical properties, which could be used for artificial bone and teeth applications. Proper control of the solidification patterns provides powerful means of control over themore » final functional properties. We discuss the relationships between the experimental results, ice growth fundamentals, the physics of ice and the interaction between inert particles and the solidification front during directional freezing.« less

Extracting, Tracking, and Visualizing Magnetic Flux Vortices in 3D Complex-Valued Superconductor Simulation Data.

PubMed

Guo, Hanqi; Phillips, Carolyn L; Peterka, Tom; Karpeyev, Dmitry; Glatz, Andreas

2016-01-01

We propose a method for the vortex extraction and tracking of superconducting magnetic flux vortices for both structured and unstructured mesh data. In the Ginzburg-Landau theory, magnetic flux vortices are well-defined features in a complex-valued order parameter field, and their dynamics determine electromagnetic properties in type-II superconductors. Our method represents each vortex line (a 1D curve embedded in 3D space) as a connected graph extracted from the discretized field in both space and time. For a time-varying discrete dataset, our vortex extraction and tracking method is as accurate as the data discretization. We then apply 3D visualization and 2D event diagrams to the extraction and tracking results to help scientists understand vortex dynamics and macroscale superconductor behavior in greater detail than previously possible.

Mass wasting features in Juventae Chasma, Mars

NASA Astrophysics Data System (ADS)

Sarkar, Ranjan; Singh, Pragya; Porwal, Alok; Ganesh, Indujaa

2016-07-01

Introduction : We report mass-wasting features preserved as debris aprons from Juventae Chasma. Diverse lines of evidence and associated geomorphological features indicate that fluidized ice or water within the wall rocks of the chasma could be responsible for mobilizing the debris. Description : The distinctive features of the landslides in Juvenate Chasma are: (1) lack of a well-defined crown or a clear-cut section at their point of origin and instead the presence of amphitheatre-headed tributary canyons; (2) absence of slump blocks; (3) overlapping of debris aprons; (4) a variety of surface textures from fresh and grooved to degraded and chaotic; (5) rounded lobes of debris aprons; (6) large variation of sizes from small lumps (~0.52 m2) to large tongue shaped ones (~ 80 m2); (7) smaller average size of landslides as compared to other chasmas; and (8) occasional preservation of fresh surficial features indicating recent emplacement. Discussion : Amphitheatre-headed tributary canyons, which are formed due to ground water sapping, indicate that the same was responsible for wall-section collapse, although a structural control cannot be completely ruled out. The emplacement of the mass wasting features preferentially at the mouths of amphitheatre-headed tributary canyons along with the rounded flow fronts of the debris suggest fluids may have played a vital role in their emplacement. The mass-wasting features in Juventae Chasma are unique compared to other landslides in Valles Marineris despite commonalities such as the radial furrows, fan-shaped outlines, overlapping aprons and overtopped obstacles. The unique set of features and close association with amphitheatre-headed tributary canyons imply that the trigger of the landslides was not structural or tectonic but possibly weakness imparted by the presence of water or ice in the pore-spaces of the wall. Craters with fluidized ejecta blankets and scalloped depressions in the surrounding plateau also support this possibility. Depending on the amounts of fluids involved at the time of emplacement, these mass movements may also qualify as debris flows. The role of fluids in the Valles Marineris landslides is still debated; however, in the Juventae Chasma landslides we see unique features which set these apart from other landslides in Valles Marineris. Further study is required to fully investigate the mechanism of emplacement of these debris.

Geographic Perspectives with Elementary Students: The Silk Road

ERIC Educational Resources Information Center

Bisland, Beverly Milner

2006-01-01

The purpose of this study is to investigate elementary students' explanations of how physical features of the land influence the location of humanly defined structures including trade routes, such as the silk routes. The silk routes were a series of caravan trade routes that extended from Turkey to China and were located as far south as India and…

Toward a System of Total Quality Management: Applying the Deming Approach to the Education Setting.

ERIC Educational Resources Information Center

McLeod, Willis B.; And Others

1992-01-01

Recently, the Petersburg (Virginia) Public Schools have moved away from a highly centralized organizational structure to a Total Quality Management system featuring shared decision making and school-based management practices. The district was guided by Deming's philosophy that all stakeholders should be involved in defining the level of products…

Motivation within Role-Playing as a Means to Intensify College Students' Educational Activity

ERIC Educational Resources Information Center

Burenkova, Olga Mikhailovna; Arkhipova, Irina Vladimirovna; Semenov, Sergei Aleksandrovich; Samarenkina, Saniya Zakirzyanovna

2015-01-01

This article covers college students' educational activity issues while studying a foreign language; analyzes special aspects of motivation introduction, their specific features. It also defines role and structure of role-playing. The authors come to the conclusion that introduction of role-playing in an educational process will bring it closer to…

Role of Green Spaces in Favorable Microclimate Creating in Urban Environment (Exemplified by Italian Cities)

NASA Astrophysics Data System (ADS)

Finaeva, O.

2017-11-01

The article represents a brief analysis of factors that influence the development of an urban green space system: territorial and climatic conditions, cultural and historical background as well as the modern strategy of historic cities development. The introduction defines the concept of urban greening, green spaces and green space distribution. The environmental parameters influenced by green spaces are determined. By the example of Italian cities the principles of the urban greening system development are considered: the historical aspects of formation of the urban greening system in Italian cities are analyzed, the role of green spaces in the formation of the urban environment structure and the creation of a favorable microclimate is determined, and a set of measures aimed at its improvement is highlighted. The modern principles of urban greening systems development and their characteristic features are considered. Special attention is paid to the interrelation of architectural and green structures in the formation of a favorable microclimate and psychological comfort in the urban environment; various methods of greening are considered by the example of existing architectural complexes depending on the climate of the area and the landscape features. The examples for the choice of plants and the application of compositional techniques are given. The results represent the basic principles of developing an urban green spaces system. The conclusion summarizes the techniques aimed at the microclimate improvement in the urban environment.

Texture operator for snow particle classification into snowflake and graupel

NASA Astrophysics Data System (ADS)

Nurzyńska, Karolina; Kubo, Mamoru; Muramoto, Ken-ichiro

2012-11-01

In order to improve the estimation of precipitation, the coefficients of Z-R relation should be determined for each snow type. Therefore, it is necessary to identify the type of falling snow. Consequently, this research addresses a problem of snow particle classification into snowflake and graupel in an automatic manner (as these types are the most common in the study region). Having correctly classified precipitation events, it is believed that it will be possible to estimate the related parameters accurately. The automatic classification system presented here describes the images with texture operators. Some of them are well-known from the literature: first order features, co-occurrence matrix, grey-tone difference matrix, run length matrix, and local binary pattern, but also a novel approach to design simple local statistic operators is introduced. In this work the following texture operators are defined: mean histogram, min-max histogram, and mean-variance histogram. Moreover, building a feature vector, which is based on the structure created in many from mentioned algorithms is also suggested. For classification, the k-nearest neighbourhood classifier was applied. The results showed that it is possible to achieve correct classification accuracy above 80% by most of the techniques. The best result of 86.06%, was achieved for operator built from a structure achieved in the middle stage of the co-occurrence matrix calculation. Next, it was noticed that describing an image with two texture operators does not improve the classification results considerably. In the best case the correct classification efficiency was 87.89% for a pair of texture operators created from local binary pattern and structure build in a middle stage of grey-tone difference matrix calculation. This also suggests that the information gathered by each texture operator is redundant. Therefore, the principal component analysis was applied in order to remove the unnecessary information and additionally reduce the length of the feature vectors. The improvement of the correct classification efficiency for up to 100% is possible for methods: min-max histogram, texture operator built from structure achieved in a middle stage of co-occurrence matrix calculation, texture operator built from a structure achieved in a middle stage of grey-tone difference matrix creation, and texture operator based on a histogram, when the feature vector stores 99% of initial information.

Exact Length Distribution of Filamentous Structures Assembled from a Finite Pool of Subunits.

PubMed

Harbage, David; Kondev, Jané

2016-07-07

Self-assembling filamentous structures made of protein subunits are ubiquitous in cell biology. These structures are often highly dynamic, with subunits in a continuous state of flux, binding to and falling off of filaments. In spite of this constant turnover of their molecular parts, many cellular structures seem to maintain a well-defined size over time, which is often required for their proper functioning. One widely discussed mechanism of size regulation involves the cell maintaining a finite pool of protein subunits available for assembly. This finite pool mechanism can control the length of a single filament by having assembly proceed until the pool of free subunits is depleted to the point when assembly and disassembly are balanced. Still, this leaves open the question of whether the same mechanism can provide size control for multiple filamentous structures that are assembled from a common pool of protein subunits, as is often the case in cells. We address this question by solving the steady-state master equation governing the stochastic assembly and disassembly of multifilament structures made from a shared finite pool of subunits. We find that, while the total number of subunits within a multifilament structure is well-defined, individual filaments within the structure have a wide, power-law distribution of lengths. We also compute the phase diagram for two multifilament structures competing for the same pool of subunits and identify conditions for coexistence when both have a well-defined size. These predictions can be tested in cell experiments in which the size of the subunit pool or the number of filament nucleators is tuned.

Inorganic bromine in organic molecular crystals: Database survey and four case studies

NASA Astrophysics Data System (ADS)

Nemec, Vinko; Lisac, Katarina; Stilinović, Vladimir; Cinčić, Dominik

2017-01-01

We present a Cambridge Structural Database and experimental study of multicomponent molecular crystals containing bromine. The CSD study covers supramolecular behaviour of bromide and tribromide anions as well as halogen bonded dibromine molecules in crystal structures of organic salts and cocrystals, and a study of the geometries and complexities in polybromide anion systems. In addition, we present four case studies of organic structures with bromide, tribromide and polybromide anions as well as the neutral dibromine molecule. These include the first observed crystal with diprotonated phenazine, a double salt of phenazinium bromide and tribromide, a cocrystal of 4-methoxypyridine with the neutral dibromine molecule as a halogen bond donor, as well as bis(4-methoxypyridine)bromonium polybromide. Structural features of the four case studies are in the most part consistent with the statistically prevalent behaviour indicated by the CSD study for given bromine species, although they do exhibit some unorthodox structural features and in that indicate possible supramolecular causes for aberrations from the statistically most abundant (and presumably most favourable) geometries.

Factors Influencing Progressive Failure Analysis Predictions for Laminated Composite Structure

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.

2008-01-01

Progressive failure material modeling methods used for structural analysis including failure initiation and material degradation are presented. Different failure initiation criteria and material degradation models are described that define progressive failure formulations. These progressive failure formulations are implemented in a user-defined material model for use with a nonlinear finite element analysis tool. The failure initiation criteria include the maximum stress criteria, maximum strain criteria, the Tsai-Wu failure polynomial, and the Hashin criteria. The material degradation model is based on the ply-discounting approach where the local material constitutive coefficients are degraded. Applications and extensions of the progressive failure analysis material model address two-dimensional plate and shell finite elements and three-dimensional solid finite elements. Implementation details are described in the present paper. Parametric studies for laminated composite structures are discussed to illustrate the features of the progressive failure modeling methods that have been implemented and to demonstrate their influence on progressive failure analysis predictions.

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

Zhang, Qingfeng; Han, Lili; Jing, Hao

While great success has been achieved in fine-tuning the aspect ratios and thereby the plasmon resonances of cylindrical Au nanorods, facet control with atomic level precision on the highly curved nanorod surfaces has long been a significantly more challenging task. The intrinsic structural complexity and lack of precise facet control of the nanorod surfaces remain the major obstacles for the atomic-level elucidation of the structure–property relationships that underpin the intriguing catalytic performance of Au nanorods. Here we demonstrate that the facets of single-crystalline Au nanorods can be precisely tailored using cuprous ions and cetyltrimethylammonium bromide as a unique pair ofmore » surface capping competitors to guide the particle geometry evolution during nanorod overgrowth. By deliberately maneuvering the competition between cuprous ions and cetyltrimethylammonium bromide, we have been able to create, in a highly controllable and selective manner, an entire family of nanorod-derived anisotropic multifaceted geometries whose surfaces are enclosed by specific types of well-defined high-index and low-index facets. This facet-controlled nanorod overgrowth approach also allows us to fine-tune the particle aspect ratios while well-preserving all the characteristic facets and geometric features of the faceted Au nanorods. Furthermore, taking full advantage of the combined structural and plasmonic tunability, we have further studied the facet-dependent heterogeneous catalysis on well-faceted Au nanorods using surface-enhanced Raman spectroscopy as an ultrasensitive spectroscopic tool with unique time-resolving and molecular finger-printing capabilities.« less

Automated Quantification of Gradient Defined Features

DTIC Science & Technology

2008-09-01

defined features in submarine environments. The technique utilizes MATLAB scripts to convert bathymetry data into a gradient dataset, produce gradient...maps, and most importantly, automate the process of defining and characterizing gradient defined features such as flows, faults, landslide scarps, folds...convergent plate margin hosts a series of large serpentinite mud volcanoes (Fig. 1). One of the largest of these active mud volcanoes is Big Blue

Recent advances in the development of alkyne metathesis catalysts

PubMed Central

Wu, Xian

2011-01-01

Summary The number of well-defined molybdenum and tungsten alkylidyne complexes that are able to catalyze alkyne metathesis reactions efficiently has been significantly expanded in recent years.The latest developments in this field featuring highly active imidazolin-2-iminato- and silanolate–alkylidyne complexes are outlined in this review. PMID:21286398

21 CFR 870.5100 - Percutaneous Transluminal Coronary Angioplasty (PTCA) Catheter.

Code of Federal Regulations, 2013 CFR

2013-04-01

... Catheter—(1) Identification. A PTCA catheter is a device that operates on the principle of hydraulic... and length at a specific pressure as labeled, with well characterized rates of inflation and deflation and a defined burst pressure. The device generally features a type of radiographic marker to...

21 CFR 870.5100 - Percutaneous Transluminal Coronary Angioplasty (PTCA) Catheter.

Code of Federal Regulations, 2014 CFR

2014-04-01

... Catheter—(1) Identification. A PTCA catheter is a device that operates on the principle of hydraulic... and length at a specific pressure as labeled, with well characterized rates of inflation and deflation and a defined burst pressure. The device generally features a type of radiographic marker to...

21 CFR 870.5100 - Percutaneous Transluminal Coronary Angioplasty (PTCA) Catheter.

Code of Federal Regulations, 2011 CFR

2011-04-01

... Catheter—(1) Identification. A PTCA catheter is a device that operates on the principle of hydraulic... and length at a specific pressure as labeled, with well characterized rates of inflation and deflation and a defined burst pressure. The device generally features a type of radiographic marker to...

21 CFR 870.5100 - Percutaneous Transluminal Coronary Angioplasty (PTCA) Catheter.

Code of Federal Regulations, 2012 CFR

2012-04-01

... Catheter—(1) Identification. A PTCA catheter is a device that operates on the principle of hydraulic... and length at a specific pressure as labeled, with well characterized rates of inflation and deflation and a defined burst pressure. The device generally features a type of radiographic marker to...

Alaska national hydrography dataset positional accuracy assessment study

USGS Publications Warehouse

Arundel, Samantha; Yamamoto, Kristina H.; Constance, Eric; Mantey, Kim; Vinyard-Houx, Jeremy

2013-01-01

Initial visual assessments Wide range in the quality of fit between features in NHD and these new image sources. No statistical analysis has been performed to actually quantify accuracy Determining absolute accuracy is cost prohibitive (must collect independent, well defined test points) Quantitative analysis of relative positional error is feasible.

To Lease or Not To Lease.

ERIC Educational Resources Information Center

Hamilton, William A.

1998-01-01

Thanks to previous bond issues, the Walled Lake (Michigan) Schools had a well-defined technology plan featuring staff development, student performance benchmarks, and rooms of outdated computers. After three bond issues failed, the district adopted leasing as an alternative. Their present three-year contract supplies 154 used computers and a…

Gaps Between What We Measure and What We Want to Know to Value Streams

EPA Science Inventory

We have found the concept “Final Ecosystem Goods and Services” (FEGS) useful in linking ecosystems and human well-being. We define FEGS as ecological features people perceive to be directly relevant to their welfare, as opposed to the larger set of essential intermed...

Geologic Mapping of Vesta

NASA Technical Reports Server (NTRS)

Yingst, R. A.; Mest, S. C.; Berman, D. C.; Garry, W. B.; Williams, D. A.; Buczkowski, D.; Jaumann, R.; Pieters, C. M.; De Sanctis, M. C.; Frigeri, A.;

Extension joints: a tool to infer the active stress field orientation (case study from southern Italy)

NASA Astrophysics Data System (ADS)

De Guidi, Giorgio; Caputo, Riccardo; Scudero, Salvatore; Perdicaro, Vincenzo

2013-04-01

An intense tectonic activity in eastern Sicily and southern Calabria is well documented by the differential uplift of Late Quaternary coastlines and by the record of the strong historical earthquakes. The extensional belt that crosses this area is dominated by a well established WNW-ESE-oriented extensional direction. However, this area is largely lacking of any structural analysis able to define the tectonics at a more local scale. In the attempt to fill this gap of knowledge, we carried out a systematic analysis of extension joint sets. In fact, the systematic field collection of these extensional features, coupled with an appropriate inversion technique, allows to determine the characteristic of the causative tectonic stress field. Joints are defined as outcrop-scale mechanical discontinuities showing no evidence of shear motion and being originated as purely extensional fractures. Such tectonic features are one of the most common deformational structures in every tectonic environment and particularly abundant in the study area. A particular arrangement of joints, called "fracture grid-lock system", and defined as an orthogonal joint system where mutual abutting and crosscutting relationships characterize two geologically coeval joint sets, allow to infer the direction and the magnitude of the tectonic stress field. We performed the analyses of joints only on Pleistocene deposits of Eastern Sicily and Southern Calabria. Moreover we investigated only calcarenite sediments and cemented deposits, avoiding claysh and loose matrix-supported clastic sediments where the deformation is generally accomodated in a distributed way through the relative motion between the single particles. In the selection of the sites, we also took into account the possibility to clearly observe the geometric relationships among the joints. For this reason we chose curvilinear road cuts or cliffs, wide coastal erosional surfaces and quarries. The numerical inversions show a similar stress tensors at all the investigated sites. Indeed, the maximum principal stress axis σ1 is vertical or subvertical, while the intermediate and the least axes (σ2 and σ3) lie on the horizontal plane or show low plunging values. The main direction of extension (σ3) at each site is in general agreement with the first-order regional stress field (WNW-ESE) even though some local perturbations have been recognized. These are interpreted as due to interferences between large active faults and their particular geometrical arrangement. In particular local stress deflections and stress swaps systematically occur in zones characterized by two overlapping fault segments or close to their tips.

Mineral resources, geologic structure, and landform surveys

NASA Technical Reports Server (NTRS)

Lattman, L. H.

1973-01-01

The use of ERTS-1 imagery for mineral resources, geologic structure, and landform surveys is discussed. Four categories of ERTS imagery application are defined and explained. The types of information obtained by the various multispectral band scanners are analyzed. Samples of land use maps and tectoning and metallogenic models are developed. It is stated that the most striking features visible on ERTS imagery are regional lineaments, or linear patterns in the topography, which reflect major fracture zones extending upward from the basement of the earth.

Results of availability imposed configuration details developed for K-DEMO

DOE PAGES

Brown, Tom; Titus, Peter; Brooks, Art; ...

2016-02-05

We completed a two year study using the Korean fusion demonstration reactor (K-DEMO) where we looked at key Tokamak components and configuration options in preparation of a conceptual design phase. A key part of a device configuration centers on defining an arrangement that enhances the ability to reach high availability values by defining design solutions that foster simplified maintenance operations. In order to maximize the size and minimize the number of in-vessel components enlarged TF coils were defined that incorporate a pair of windings within each coil to mitigate pressure drop issues and to reduce the cost of the coils.more » Furthermore, we defined a semi-permanent shield structure in order to develop labyrinth interfaces between double-null plasma contoured shield modules, provide an entity to align blanket components and provide support against disruption loads—with a load path that equilibrates blanket, TF and PF loads through a base structure. Blanket piping services and auxiliary systems that interface with in-vessel components have played a major role in defining the overall device arrangement—concept details will be presented along with general arrangement features and preliminary results obtained from disruption analysis.« less

Site-Dependent Vibrational Coupling of CO Adsorbates on Well-Defined Step and Terrace Sites of Monocrystalline Platinum: Mixed-Isotope Studies at Pt(335) and Pt(111) in the Aqueous Electrochemical Environment

DTIC Science & Technology

1994-09-15

and Terrace Sites of Monocrystalline Platinum: Mixed-Isotope Studies at Pt(335) and Pt(1 11) in the Aqueous Electrochemical Environment by Chung S. Kim... monocrystalline metals. These materials have structurally well-defined step and kink structures, which serve as models for the surface defect sites found on...and molecular interactions at stepped monocrystalline electrode surfaces [3,4]. A notable property of Pt(335)/CO is that the CO occupancy at step and

Molecular Precision at Micrometer Length Scales: Hierarchical Assembly of DNA-Protein Nanostructures.

PubMed

Schiffels, Daniel; Szalai, Veronika A; Liddle, J Alexander

2017-07-25

Robust self-assembly across length scales is a ubiquitous feature of biological systems but remains challenging for synthetic structures. Taking a cue from biology-where disparate molecules work together to produce large, functional assemblies-we demonstrate how to engineer microscale structures with nanoscale features: Our self-assembly approach begins by using DNA polymerase to controllably create double-stranded DNA (dsDNA) sections on a single-stranded template. The single-stranded DNA (ssDNA) sections are then folded into a mechanically flexible skeleton by the origami method. This process simultaneously shapes the structure at the nanoscale and directs the large-scale geometry. The DNA skeleton guides the assembly of RecA protein filaments, which provides rigidity at the micrometer scale. We use our modular design strategy to assemble tetrahedral, rectangular, and linear shapes of defined dimensions. This method enables the robust construction of complex assemblies, greatly extending the range of DNA-based self-assembly methods.

Plasma etching of polymers like SU8 and BCB

NASA Astrophysics Data System (ADS)

Mischke, Helge; Gruetzner, Gabi; Shaw, Mark

2003-01-01

Polymers with high viscosity, like SU8 and BCB, play a dominant role in MEMS application. Their behavior in a well defined etching plasma environment in a RIE mode was investigated. The 40.68 MHz driven bottom electrode generates higher etch rates combined with much lower bias voltages by a factor of ten or a higher efficiency of the plasma with lower damaging of the probe material. The goal was to obtain a well-defined process for the removal and structuring of SU8 and BCB using fluorine/oxygen chemistry, defined using variables like electron density and collision rate. The plasma parameters are measured and varied using a production proven technology called SEERS (Self Excited Electron Resonance Spectroscopy). Depending on application and on Polymer several metals are possible (e.g., gold, aluminum). The characteristic of SU8 and BCB was examined in the case of patterning by dry etching in a CF4/O2 chemistry. Etch profile and etch rate correlate surprisingly well with plasma parameters like electron density and electron collision rate, thus allowing to define to adjust etch structure in situ with the help of plasma parameters.

Numerical equilibrium analysis for structured consumer resource models.

PubMed

de Roos, A M; Diekmann, O; Getto, P; Kirkilionis, M A

2010-02-01

In this paper, we present methods for a numerical equilibrium and stability analysis for models of a size structured population competing for an unstructured resource. We concentrate on cases where two model parameters are free, and thus existence boundaries for equilibria and stability boundaries can be defined in the (two-parameter) plane. We numerically trace these implicitly defined curves using alternatingly tangent prediction and Newton correction. Evaluation of the maps defining the curves involves integration over individual size and individual survival probability (and their derivatives) as functions of individual age. Such ingredients are often defined as solutions of ODE, i.e., in general only implicitly. In our case, the right-hand sides of these ODE feature discontinuities that are caused by an abrupt change of behavior at the size where juveniles are assumed to turn adult. So, we combine the numerical solution of these ODE with curve tracing methods. We have implemented the algorithms for "Daphnia consuming algae" models in C-code. The results obtained by way of this implementation are shown in the form of graphs.

Coupling CP-MD simulations and X-ray absorption spectroscopy: exploring the structure of oxaliplatin in aqueous solution.

PubMed

Beret, Elizabeth C; Provost, Karine; Müller, Diane; Marcos, Enrique Sánchez

2009-09-10

A combined experimental-theoretical approach applying X-ray absorption spectroscopy and ab initio molecular dynamics (CP-MD) simulations is used to get insight into the structural determination of oxaliplatin, a third-generation anticancer drug of the cisplatin family, in aqueous solution. Experimental Pt L(III)-edge EXAFS and XANES spectra of oxaliplatin in water are compared with theoretical XAS spectra. The latter are obtained as statistically averaged spectra computed for a set of selected snapshots extracted from the MD trajectory of ethyldiamineoxalatoplatinum(II) (EDO-Pt) in liquid water. This compound is a simplified structure of oxaliplatin, where the outer part of the cyclohexane ring contained in the cyclohexanediamine ligand of oxaliplatin has been removed. We show that EDO-Pt is an appropriate model to simulate the spectroscopical properties of oxaliplatin given that the cyclohexane ring does not generate particular features in neither the EXAFS nor the XANES spectra. The computation of average EXAFS spectra using structures from the MD simulation in which atoms are selected according to different cutoff radii around the Pt center allows the assignment of spectral features to particular structural motifs, both in k and R-spaces. The outer oxygen atoms of the oxalate ligand (R(Pt-O(II)) = 3.97 +/- 0.03 A) are responsible for a well-defined hump at around 6.5 A(-1) in the k(2)-weighted EXAFS spectrum. The conventional EXAFS analysis data procedure is reexamined by its application to the simulated average EXAFS spectra. The structural parameters resulting from the fit may then be compared with those obtained from the simulation, providing an estimation of the methodological error associated with the global fitting procedure. A thorough discussion on the synergy between the experimental and theoretical XAS approaches is presented, and evidence for the detection of a slight hydration structure around the Pt complex is shown, leading to the suggestion of a new challenge to experimental XAS measurements.

Protein conformational disorder and enzyme catalysis.

PubMed

Schulenburg, Cindy; Hilvert, Donald

2013-01-01

Though lacking a well-defined three-dimensional structure, intrinsically unstructured proteins are ubiquitous in nature. These molecules play crucial roles in many cellular processes, especially signaling and regulation. Surprisingly, even enzyme catalysis can tolerate substantial disorder. This observation contravenes conventional wisdom but is relevant to an understanding of how protein dynamics modulates enzyme function. This chapter reviews properties and characteristics of disordered proteins, emphasizing examples of enzymes that lack defined structures, and considers implications of structural disorder for catalytic efficiency and evolution.

Quantifying the Hierarchical Order in Self-Aligned Carbon Nanotubes from Atomic to Micrometer Scale.

PubMed

Meshot, Eric R; Zwissler, Darwin W; Bui, Ngoc; Kuykendall, Tevye R; Wang, Cheng; Hexemer, Alexander; Wu, Kuang Jen J; Fornasiero, Francesco

2017-06-27

Fundamental understanding of structure-property relationships in hierarchically organized nanostructures is crucial for the development of new functionality, yet quantifying structure across multiple length scales is challenging. In this work, we used nondestructive X-ray scattering to quantitatively map the multiscale structure of hierarchically self-organized carbon nanotube (CNT) "forests" across 4 orders of magnitude in length scale, from 2.0 Å to 1.5 μm. Fully resolved structural features include the graphitic honeycomb lattice and interlayer walls (atomic), CNT diameter (nano), as well as the greater CNT ensemble (meso) and large corrugations (micro). Correlating orientational order across hierarchical levels revealed a cascading decrease as we probed finer structural feature sizes with enhanced sensitivity to small-scale disorder. Furthermore, we established qualitative relationships for single-, few-, and multiwall CNT forest characteristics, showing that multiscale orientational order is directly correlated with number density spanning 10 9 -10 12 cm -2 , yet order is inversely proportional to CNT diameter, number of walls, and atomic defects. Lastly, we captured and quantified ultralow-q meridional scattering features and built a phenomenological model of the large-scale CNT forest morphology, which predicted and confirmed that these features arise due to microscale corrugations along the vertical forest direction. Providing detailed structural information at multiple length scales is important for design and synthesis of CNT materials as well as other hierarchically organized nanostructures.

Image segmentation using association rule features.

PubMed

Rushing, John A; Ranganath, Heggere; Hinke, Thomas H; Graves, Sara J

2002-01-01

A new type of texture feature based on association rules is described. Association rules have been used in applications such as market basket analysis to capture relationships present among items in large data sets. It is shown that association rules can be adapted to capture frequently occurring local structures in images. The frequency of occurrence of these structures can be used to characterize texture. Methods for segmentation of textured images based on association rule features are described. Simulation results using images consisting of man made and natural textures show that association rule features perform well compared to other widely used texture features. Association rule features are used to detect cumulus cloud fields in GOES satellite images and are found to achieve higher accuracy than other statistical texture features for this problem.

Multi-scale, Hierarchically Nested Young Stellar Structures in LEGUS Galaxies

NASA Astrophysics Data System (ADS)

Thilker, David A.; LEGUS Team

2017-01-01

The study of star formation in galaxies has predominantly been limited to either young stellar clusters and HII regions, or much larger kpc-scale morphological features such as spiral arms. The HST Legacy ExtraGalactic UV Survey (LEGUS) provides a rare opportunity to link these scales in a diverse sample of nearby galaxies and obtain a more comprehensive understanding of their co-evolution for comparison against model predictions. We have utilized LEGUS stellar photometry to identify young, resolved stellar populations belonging to several age bins and then defined nested hierarchical structures as traced by these subsamples of stars. Analagous hierarchical structures were also defined using LEGUS catalogs of unresolved young stellar clusters. We will present our emerging results concerning the physical properties (e.g. area, star counts, stellar mass, star formation rate, ISM characteristics), occupancy statistics (e.g. clusters per substructure versus age and scale, parent/child demographics) and relation to overall galaxy morphology/mass for these building blocks of hierarchical star-forming structure.

Triazine-based sequence-defined polymers with side-chain diversity and backbone-backbone interaction motifs

DOE PAGES

Grate, Jay W.; Mo, Kai -For; Daily, Michael D.

2016-02-10

Sequence control in polymers, well-known in nature, encodes structure and functionality. Here we introduce a new architecture, based on the nucleophilic aromatic substitution chemistry of cyanuric chloride, that creates a new class of sequence-defined polymers dubbed TZPs. Proof of concept is demonstrated with two synthesized hexamers, having neutral and ionizable side chains. Molecular dynamics simulations show backbone–backbone interactions, including H-bonding motifs and pi–pi interactions. This architecture is arguably biomimetic while differing from sequence-defined polymers having peptide bonds. In conclusion, the synthetic methodology supports the structural diversity of side chains known in peptides, as well as backbone–backbone hydrogen-bonding motifs, and willmore » thus enable new macromolecules and materials with useful functions.« less

Triazine-Based Sequence-Defined Polymers with Side-Chain Diversity and Backbone-Backbone Interaction Motifs.

PubMed

Grate, Jay W; Mo, Kai-For; Daily, Michael D

2016-03-14

Sequence control in polymers, well-known in nature, encodes structure and functionality. Here we introduce a new architecture, based on the nucleophilic aromatic substitution chemistry of cyanuric chloride, that creates a new class of sequence-defined polymers dubbed TZPs. Proof of concept is demonstrated with two synthesized hexamers, having neutral and ionizable side chains. Molecular dynamics simulations show backbone-backbone interactions, including H-bonding motifs and pi-pi interactions. This architecture is arguably biomimetic while differing from sequence-defined polymers having peptide bonds. The synthetic methodology supports the structural diversity of side chains known in peptides, as well as backbone-backbone hydrogen-bonding motifs, and will thus enable new macromolecules and materials with useful functions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Triazine-based sequence-defined polymers with side-chain diversity and backbone-backbone interaction motifs

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

Grate, Jay W.; Mo, Kai -For; Daily, Michael D.

Sequence control in polymers, well-known in nature, encodes structure and functionality. Here we introduce a new architecture, based on the nucleophilic aromatic substitution chemistry of cyanuric chloride, that creates a new class of sequence-defined polymers dubbed TZPs. Proof of concept is demonstrated with two synthesized hexamers, having neutral and ionizable side chains. Molecular dynamics simulations show backbone–backbone interactions, including H-bonding motifs and pi–pi interactions. This architecture is arguably biomimetic while differing from sequence-defined polymers having peptide bonds. In conclusion, the synthetic methodology supports the structural diversity of side chains known in peptides, as well as backbone–backbone hydrogen-bonding motifs, and willmore » thus enable new macromolecules and materials with useful functions.« less

A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVOx † †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc01771e Click here for additional data file.

PubMed Central

Kubas, Adam; Noak, Johannes

2017-01-01

Absorption and multiwavelength resonance Raman spectroscopy are widely used to investigate the electronic structure of transition metal centers in coordination compounds and extended solid systems. In combination with computational methodologies that have predictive accuracy, they define powerful protocols to study the spectroscopic response of catalytic materials. In this work, we study the absorption and resonance Raman spectra of the M1 MoVOx catalyst. The spectra were calculated by time-dependent density functional theory (TD-DFT) in conjunction with the independent mode displaced harmonic oscillator model (IMDHO), which allows for detailed bandshape predictions. For this purpose cluster models with up to 9 Mo and V metallic centers are considered to represent the bulk structure of MoVOx. Capping hydrogens were used to achieve valence saturation at the edges of the cluster models. The construction of model structures was based on a thorough bonding analysis which involved conventional DFT and local coupled cluster (DLPNO-CCSD(T)) methods. Furthermore the relationship of cluster topology to the computed spectral features is discussed in detail. It is shown that due to the local nature of the involved electronic transitions, band assignment protocols developed for molecular systems can be applied to describe the calculated spectral features of the cluster models as well. The present study serves as a reference for future applications of combined experimental and computational protocols in the field of solid-state heterogeneous catalysis. PMID:28989667

Loading effects beneath the Gotvand-e Olya Reservoir (south-west of Iran) deduced from ambient noise tomography

NASA Astrophysics Data System (ADS)

Ebrahimi, M.; Tatar, M.; Aoudia, A.; Guidarelli, M.

2018-01-01

In order to define the precise shallow velocity structure beneath the second largest dam reservoir in Iran and to understand the loading effects on the underlying crust, the shear wave velocity of the shallow structure beneath the Gotvand-e Olya (hereinafter referred to as Gotvand) reservoir is determined through the inversion of group velocities obtained from seismic ambient noise tomography, using continuous data from 10 stations of a local network, installed to monitor the induced seismicity in the region surrounding the Gotvand and Masjed Soleyman dams for potential hazard. We obtained Rayleigh waves from cross-correlation of waveforms recorded 10 months before and the same duration after impoundment of the Gotvand reservoir and calculated the group velocity from dispersion analysis in the period range 2-8 s. The group velocity dispersion curves are used to produce 2-D group velocity tomographic maps. The resulting tomographic maps at short periods are well correlated with subsurface geological features and delineate distinct low- and high-velocity zones separated mainly by geological boundaries. The 3-D shear wave velocity structure provides detailed information about the crustal features underneath the reservoir. The results are consistent with the lithology of the region, and attest that ambient noise tomography (ANT) can be used for detailed studies of the velocity structure and lithology at shallow depths using continuous data from a dense local seismic network. An increase of shear wave velocity is observed at the deep parts (4-6 km) underneath the reservoir after impoundment of the dam, which could be caused by the changes in rocks properties after impoundment. However, at shallow depths (2-4 km), a decrease of Vs velocity is observed that can be associated to the penetration of water after the impoundment.

Molecular structure of self-assembled chiral nanoribbons and nanotubules revealed in the hydrated state.

PubMed

Oda, Reiko; Artzner, Franck; Laguerre, Michel; Huc, Ivan

2008-11-05

A detailed molecular organization of racemic 16-2-16 tartrate self-assembled multi-bilayer ribbons in the hydrated state is proposed where 16-2-16 amphiphiles, tartrate ions, and water molecules are all accurately positioned by comparing experimental X-ray powder diffraction and diffraction patterns derived from modeling studies. X-ray diffuse scattering studies show that molecular organization is not fundamentally altered when comparing the flat ribbons of the racemate to chirally twisted or helical ribbons of the pure tartrate enantiomer. Essential features of the three-dimensional molecular organizations of these structures include interdigitation of alkyl chains within each bilayer and well-defined networks of ionic and hydrogen bonds between cations, anions, and water molecules between bilayers. The detailed study of diffraction patterns also indicated that the gemini headgroups are oriented parallel to the long edge of the ribbons. The structure thus possesses a high cohesion and good crystallinity, and for the first time, we could relate the packing of the chiral molecules to the expression of the chirality at a mesoscopic scale. The organization of the ribbons at the molecular level sheds light on a number of their macroscopic features. Among these are the reason why enantiomerically pure 16-2-16 tartrate forms ribbons that consist of exactly two bilayers, and a plausible mechanism by which a chirally twisted or helical shape may emerge from the packing of chiral tartrate ions. Importantly, the distinction between commonly observed helical and twisted morphologies could be related to a subtle symmetry breaking. These results demonstrate that accurately solving the molecular structure of self-assembled soft materials--a process rarely achieved--is within reach, that it is a valid approach to correlate molecular parameters to macroscopic properties, and thus that it offers opportunities to modulate properties through molecular design.

Cloud and boundary layer structure over San Nicolas Island during FIRE

NASA Technical Reports Server (NTRS)

Albrecht, Bruce A.; Fairall, Christopher W.; Syrett, William J.; Schubert, Wayne H.; Snider, Jack B.

1990-01-01

The temporal evolution of the structure of the marine boundary layer and of the associated low-level clouds observed in the vicinity of the San Nicolas Island (SNI) is defined from data collected during the First ISCCP Regional Experiment (FIRE) Marine Stratocumulus Intense Field Observations (IFO) (July 1 to 19). Surface, radiosonde, and remote-sensing measurements are used for this analysis. Sounding from the Island and from the ship Point Sur, which was located approximately 100 km northwest of SNI, are used to define variations in the thermodynamic structure of the lower-troposphere on time scales of 12 hours and longer. Time-height sections of potential temperature and equivalent potential temperature clearly define large-scale variations in the height and the strength of the inversion and periods where the conditions for cloud-top entrainment instability (CTEI) are met. Well defined variations in the height and the strength of the inversion were associated with a Cataline Eddy that was present at various times during the experiment and with the passage of the remnants of a tropical cyclone on July 18. The large-scale variations in the mean thermodynamic structure at SNI correlate well with those observed from the Point Sur. Cloud characteristics are defined for 19 days of the experiment using data from a microwave radiometer, a cloud ceilometer, a sodar, and longwave and shortwave radiometers. The depth of the cloud layer is estimated by defining inversion heights from the sodar reflectivity and cloud-base heights from a laser ceilometer. The integrated liquid water obtained from NOAA's microwave radiometer is compared with the adiabatic liquid water content that is calculated by lifting a parcel adiabatically from cloud base. In addition, the cloud structure is characterized by the variability in cloud-base height and in the integrated liquid water.

FS laser processing of bio-polymer thin films for studying cell-to-substrate specific response

NASA Astrophysics Data System (ADS)

Daskalova, A.; Nathala, Chandra S. R.; Kavatzikidou, P.; Ranella, A.; Szoszkiewicz, R.; Husinsky, W.; Fotakis, C.

2016-09-01

The use of ultra-short pulses for nanoengineering of biomaterials opens up possibilities for biological, medical and tissue engineering applications. Structuring the surface of a biomaterial into arrays with micro- and nanoscale features and architectures, defines new roadmaps to innovative engineering of materials. Thin films of novel collagen/elastin composite and gelatin were irradiated by Ti:sapphire fs laser in air at central wavelength 800 nm, with pulse durations in the range of 30 fs. The size and shape as well as morphological forms occurring in the resulted areas of interaction were analyzed as a function of irradiation fluence and number of pulses by atomic force microscopy (AFM). The fs interaction regime allows generation of well defined micro porous surface arrays. In this study we examined a novel composite consisting of collagen and elastin in order to create a biodegradable matrix to serve as a biomimetic surface for cell attachment. Confocal microscopy images of modified zones reveal formation of surface fringe patterns with orientation direction alongside the area of interaction. Outside the crater rim a wave-like topography pattern is observed. Structured, on a nanometer scale, surface array is employed for cell-culture experiments for testing cell's responses to substrate morphology. Mice fibroblasts migration was monitored after 3 days cultivation period using FESEM. We found that fibroblasts cells tend to migrate and adhere along the laser modified zones. The performed study proved that the immobilized collagen based biofilms suite as a template for successful fibroblasts cell guidance and orientation. Fs laser induced morphological modification of biomimetic materials exhibit direct control over fibroblasts behaviour due to induced change in their wettability state.

Origin of the 900 cm{sup −1} broad double-hump OH vibrational feature of strongly hydrogen-bonded carboxylic acids

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

Van Hoozen, Brian L.; Petersen, Poul B.

2015-03-14

Medium and strong hydrogen bonds are common in biological systems. Here, they provide structural support and can act as proton transfer relays to drive electron and/or energy transfer. Infrared spectroscopy is a sensitive probe of molecular structure and hydrogen bond strength but strongly hydrogen-bonded structures often exhibit very broad and complex vibrational bands. As an example, strong hydrogen bonds between carboxylic acids and nitrogen-containing aromatic bases commonly display a 900 cm{sup −1} broad feature with a remarkable double-hump structure. Although previous studies have assigned this feature to the OH, the exact origin of the shape and width of this unusualmore » feature is not well understood. In this study, we present ab initio calculations of the contributions of the OH stretch and bend vibrational modes to the vibrational spectrum of strongly hydrogen-bonded heterodimers of carboxylic acids and nitrogen-containing aromatic bases, taking the 7-azaindole—acetic acid and pyridine—acetic acid dimers as examples. Our calculations take into account coupling between the OH stretch and bend modes as well as how both of these modes are affected by lower frequency dimer stretch modes, which modulate the distance between the monomers. Our calculations reproduce the broadness and the double-hump structure of the OH vibrational feature. Where the spectral broadness is primarily caused by the dimer stretch modes strongly modulating the frequency of the OH stretch mode, the double-hump structure results from a Fermi resonance between the out of the plane OH bend and the OH stretch modes.« less

Benign and Malignant Proliferative Fibro-osseous and Osseous Lesions of the Oral Cavity of Dogs.

PubMed

Soltero-Rivera, M; Engiles, J B; Reiter, A M; Reetz, J; Lewis, J R; Sánchez, M D

2015-09-01

Ossifying fibroma (OF) and fibrous dysplasia (FD) are benign, intraosseous, proliferative fibro-osseous lesions (PFOLs) characterized by replacement of normal bone by a fibrous matrix with various degrees of mineralization and ossification. Osteomas are benign tumors composed of mature, well-differentiated bone. Clinical, imaging, and histologic features of 15 initially diagnosed benign PFOLs and osteomas of the canine oral cavity were evaluated. Final diagnoses after reevaluation were as follows: OF (3 cases), FD (4 cases), low-grade osteosarcoma (LG-OSA) (3 cases), and osteoma (5 cases). Histology alone often did not result in a definitive diagnosis for PFOL. OF appeared as a well-circumscribed, radiopaque mass with some degree of bone lysis on imaging. Most lesions of FD showed soft tissue opacity with bone lysis and ill-defined margins. Low-grade OSA appeared as a lytic lesion with a mixed opacity and ill-defined margins. Osteomas were characterized by a mineralized, expansile, well-circumscribed lesion. Although histologic features of PFOLs were typically bland, the lesions diagnosed as LG-OSA had some features of malignancy (eg, bone invasion or a higher mitotic index). Treatment varied widely. Of the 10 dogs with benign PFOL or osteoma with known outcome (10/12), 9 showed either complete response (6/10) or stable disease (3/10) after treatment. Of the 2 dogs with LG-OSA with known outcome, 1 showed complete response after curative intent surgery, but 1 patient had recurrence after partial maxillectomy. Definitive diagnosis of mandibular/maxillary PFOL is challenging via histopathologic examination alone, and accurate diagnosis is best achieved through assimilation of clinical, imaging, and histopathologic features. © The Author(s) 2015.

Case study of 3D fingerprints applications

PubMed Central

Liu, Feng; Liang, Jinrong; Shen, Linlin; Yang, Meng; Zhang, David; Lai, Zhihui

2017-01-01

Human fingers are 3D objects. More information will be provided if three dimensional (3D) fingerprints are available compared with two dimensional (2D) fingerprints. Thus, this paper firstly collected 3D finger point cloud data by Structured-light Illumination method. Additional features from 3D fingerprint images are then studied and extracted. The applications of these features are finally discussed. A series of experiments are conducted to demonstrate the helpfulness of 3D information to fingerprint recognition. Results show that a quick alignment can be easily implemented under the guidance of 3D finger shape feature even though this feature does not work for fingerprint recognition directly. The newly defined distinctive 3D shape ridge feature can be used for personal authentication with Equal Error Rate (EER) of ~8.3%. Also, it is helpful to remove false core point. Furthermore, a promising of EER ~1.3% is realized by combining this feature with 2D features for fingerprint recognition which indicates the prospect of 3D fingerprint recognition. PMID:28399141

Case study of 3D fingerprints applications.

PubMed

Liu, Feng; Liang, Jinrong; Shen, Linlin; Yang, Meng; Zhang, David; Lai, Zhihui

2017-01-01

Human fingers are 3D objects. More information will be provided if three dimensional (3D) fingerprints are available compared with two dimensional (2D) fingerprints. Thus, this paper firstly collected 3D finger point cloud data by Structured-light Illumination method. Additional features from 3D fingerprint images are then studied and extracted. The applications of these features are finally discussed. A series of experiments are conducted to demonstrate the helpfulness of 3D information to fingerprint recognition. Results show that a quick alignment can be easily implemented under the guidance of 3D finger shape feature even though this feature does not work for fingerprint recognition directly. The newly defined distinctive 3D shape ridge feature can be used for personal authentication with Equal Error Rate (EER) of ~8.3%. Also, it is helpful to remove false core point. Furthermore, a promising of EER ~1.3% is realized by combining this feature with 2D features for fingerprint recognition which indicates the prospect of 3D fingerprint recognition.

PREFACE: 15th Russian Youth Conference on Physics and Astronomy (PhysicA.SPb)

NASA Astrophysics Data System (ADS)

Sokolovskii, Grigorii; Averkiev, Nikita

2013-08-01

The fifteenth Russian Youth Conference on Physics and Astronomy PhysicA.SPb was held 23-24 October 2012 in Saint-Petersburg, Russia. The Conference continues the tradition of Saint-Petersburg Seminars on Physics and Astronomy originating from the mid-90s. The main feature of PhysicA.SPb since then, remains the combination of both scientific and educational quality of the contributions delivered to the young audience. This feature makes it possible to combine the whole spectrum of modern Physics and Astronomy within one conference. PhysicA.SPb 2012 has brought together more than 150 students, young scientists and their professors from many universities and research institutes across Russia, as well as from Belarus, Ukraine, Finland, France and the United Kingdom. Oral and poster presentations were combined into a few well-defined sections among which one should name Astronomy and Astrophysics, Physics of semiconductors, Physics of solid state, Physics and technology of the alternative energetics, Nanostructured and thin-film materials, THz and UHF materials and devices, and Physics of the quantum-sized structures. This issue of the Journal of Physics: Conference Series presents the extended contributions from participants of PhysicA.SPb 2012 that were peer-reviewed by expert referees through processes administered by the Presiders of the Organising and Programme Committees to the best professional and scientific standards. Grigorii S. Sokolovskii and Nikita S. Averkiev Editors

Evidence for a soil microbial terroir in the Chianti Classico district in Tuscany (Italy)

NASA Astrophysics Data System (ADS)

Mocali, Stefano; Priori, Simone; Valboa, Giuseppe; Fabiani, Arturo; Pellegrini, Sergio; Puccioni, Sergio; Zombardo, Alessandra; Storchi, Paolo; Costantini, Edoardo

2017-04-01

Originally developed for wine, the terroir concept is becoming popular throughout agri-environmental sciences in many parts of the world, linking the uniqueness and quality of agricultural products to the environment where they are produced. Even thought it is well known that geology, morphology and microclimate influence and diversify the wine characters within a wine district (macro-terroir), recent literature suggests that different soil features can drive wine characters also within the same macro-terroir, at both farm and vineyard scale. However, the drivers beyond these differences remain elusive, and the potential contribution of soil microbes has been ignored until recently. Therefore, in this multidisciplinary work we have tried to assess the possible role of soil microbial communities in vineyards on defining the quality of the wine produced. Soils from 4 different macro-terroir areas located within the Barone Ricasoli farm in Brolio (SI), Tuscany (Central Italy), characterized by different geology and cultivated with the grapevine cultivar Sangiovese, were collected: Fattoio (feldspathic sandstone), Leccio (marine sands), Agresto (limestone), and Ceni (fluvial deposits). Within each terroir, two areas homogeneous for soil features were delimited (Basic terroir unit, BTU) and monitored over 3 years for the soil physico-chemical and biological parameters as well as viticultural parameters. In this work we report the results of the analysis of microbial communities in the 8 BTUs, determined through molecular (PCR-DGGE), metabolic (BIOLOG) and biochemical (microbial respiration, biomass C) techniques. The results showed that each vineyard is characterized by a well defined bacterial community whose structure varies both as a function of different BTUs and terroir areas, depending on soil features. In fact, the vineyards Fattoio 1 and 2 exhibit a very similar bacterial composition between them and stable over time, even for the low total organic matter content. In contrast, Leccio 1 is very different from Leccio 2 (much more than Agresto 1 compared to Agresto 2) and shows values of biological fertility and bacterial diversity always lower than Leccio 2. Ceni 1 and 2, however, even though quite distinct from each other, do not show many similarities with other vineyards. Interesting to note that the values of the Sangiovese performance index, which estimate the quality of the wine produced are well correlated with the bacterial diversity of different BTU. In conclusion, despite soil bacterial community composition was shown to be strictly related to the quality of grapes, further investigation is still required in order to better highlight the effect of such microbial communities on vine physiology and wine quality.

Preprocessing Structured Clinical Data for Predictive Modeling and Decision Support

PubMed Central

Oliveira, Mónica Duarte; Janela, Filipe; Martins, Henrique M. G.

2016-01-01

Summary Background EHR systems have high potential to improve healthcare delivery and management. Although structured EHR data generates information in machine-readable formats, their use for decision support still poses technical challenges for researchers due to the need to preprocess and convert data into a matrix format. During our research, we observed that clinical informatics literature does not provide guidance for researchers on how to build this matrix while avoiding potential pitfalls. Objectives This article aims to provide researchers a roadmap of the main technical challenges of preprocessing structured EHR data and possible strategies to overcome them. Methods Along standard data processing stages – extracting database entries, defining features, processing data, assessing feature values and integrating data elements, within an EDPAI framework –, we identified the main challenges faced by researchers and reflect on how to address those challenges based on lessons learned from our research experience and on best practices from related literature. We highlight the main potential sources of error, present strategies to approach those challenges and discuss implications of these strategies. Results Following the EDPAI framework, researchers face five key challenges: (1) gathering and integrating data, (2) identifying and handling different feature types, (3) combining features to handle redundancy and granularity, (4) addressing data missingness, and (5) handling multiple feature values. Strategies to address these challenges include: cross-checking identifiers for robust data retrieval and integration; applying clinical knowledge in identifying feature types, in addressing redundancy and granularity, and in accommodating multiple feature values; and investigating missing patterns adequately. Conclusions This article contributes to literature by providing a roadmap to inform structured EHR data preprocessing. It may advise researchers on potential pitfalls and implications of methodological decisions in handling structured data, so as to avoid biases and help realize the benefits of the secondary use of EHR data. PMID:27924347

Glandulocalyx upatoiensis, a fossil flower of Ericales (Actinidiaceae/Clethraceae) from the Late Cretaceous (Santonian) of Georgia, USA

PubMed Central

Schönenberger, Jürg; von Balthazar, Maria; Takahashi, Masamichi; Xiao, Xianghui; Crane, Peter R.; Herendeen, Patrick S.

2012-01-01

Background and Aims Ericales are a major group of extant asterid angiosperms that are well represented in the Late Cretaceous fossil record, mainly by flowers, fruits and seeds. Exceptionally well preserved fossil flowers, here described as Glandulocalyx upatoiensis gen. & sp. nov., from the Santonian of Georgia, USA, yield new detailed evidence of floral structure in one of these early members of Ericales and provide a secure basis for comparison with extant taxa. Methods The floral structure of several fossil specimens was studied by scanning electron microscopy (SEM), light microscopy of microtome thin sections and synchrotron-radiation X-ray tomographic microscopy (SRXTM). For direct comparisons with flowers of extant Ericales, selected floral features of Actinidiaceae and Clethraceae were studied with SEM. Key Results Flowers of G. upatoiensis have five sepals with quincuncial aestivation, five free petals with quincuncial aestivation, 20–28 stamens arranged in a single series, extrorse anther orientation in the bud, ventral anther attachment and a tricarpellate, syncarpous ovary with three free styles and numerous small ovules on axile, protruding-diffuse and pendant placentae. The calyx is characterized by a conspicuous indumentum of large, densely arranged, multicellular and possibly glandular trichomes. Conclusions Comparison with extant taxa provides clear evidence for a relationship with core Ericales comprised of the extant families Actinidiaceae, Roridulaceae, Sarraceniaceae, Clethraceae, Cyrillaceae and Ericaceae. Within this group, the most marked similarities are with extant Actinidiaceae and, to a lesser degree, with Clethraceae. More detailed analyses of the relationships of Glandulocalyx and other Ericales from the Late Cretaceous will require an improved understanding of the morphological features that diagnose particular extant groups defined on the basis of molecular data. PMID:22442339

Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations.

PubMed

Andrés, Juan; Gracia, Lourdes; Gouveia, Amanda Fernandes; Ferrer, Mateus Meneghetti; Longo, Elson

2015-10-09

Morphology is a key property of materials. Owing to their precise structure and morphology, crystals and nanocrystals provide excellent model systems for joint experimental and theoretical investigations into surface-related properties. Faceted polyhedral crystals and nanocrystals expose well-defined crystallographic planes depending on the synthesis method, which allow for thoughtful investigations into structure-reactivity relationships under practical conditions. This feature article introduces recent work, based on the combined use of experimental findings and first-principles calculations, to provide deeper knowledge of the electronic, structural, and energetic properties controlling the morphology and the transformation mechanisms of different metals and metal oxides: Ag, anatase TiO2, BaZrO3, and α-Ag2WO4. According to the Wulff theorem, the equilibrium shapes of these systems are obtained from the values of their respective surface energies. These investigations are useful to gain further understanding of how to achieve morphological control of complex three-dimensional crystals by tuning the ratio of the surface energy values of the different facets. This strategy allows the prediction of possible morphologies for a crystal and/or nanocrystal by controlling the relative values of surface energies.

Surficial geology, structure, and thickness of selected geohydrologic units in the Columbia Plateau, Washington

USGS Publications Warehouse

Drost, B.W.; Whiteman, K.J.

1986-01-01

A 2-1/2 year study of the Columbia Plateau in Washington was begun in March 1982 to define spatial and temporal variations in dissolved sodium in the Columbia River Basalt Group aquifers and to relate these variations to the groundwater system and its geologic framework. This report describes the geologic framework , including the vertical and areal extent of the major basalt units, interbeds, and overlying materials. Thickness and structure of the Grande Ronde, Wanapum, and Saddle Mountains Basalts, thickness of the interbeds between the Grande Ronde and Wanapum, and Wanapum and Saddle Mountains Basalts, and thickness of the overburden were mapped at a scale of 1:500,000. Information was compiled from 2,500 well records using chemical analyses of core or drill chips, geophysical logs, and driller 's logs, in decreasing order of reliability. Surficial geology and surficial expression of structural features were simplified from published maps to provide maps with this information at the 1:500,000 scale. This report is intended to serve as a base for evaluating the distribution of dissolved sodium in basalt aquifers and as a base for future water resource studies. (USGS)

Nanobiotechnology with S-layer proteins as building blocks.

PubMed

Sleytr, Uwe B; Schuster, Bernhard; Egelseer, Eva M; Pum, Dietmar; Horejs, Christine M; Tscheliessnig, Rupert; Ilk, Nicola

2011-01-01

One of the key challenges in nanobiotechnology is the utilization of self- assembly systems, wherein molecules spontaneously associate into reproducible aggregates and supramolecular structures. In this contribution, we describe the basic principles of crystalline bacterial surface layers (S-layers) and their use as patterning elements. The broad application potential of S-layers in nanobiotechnology is based on the specific intrinsic features of the monomolecular arrays composed of identical protein or glycoprotein subunits. Most important, physicochemical properties and functional groups on the protein lattice are arranged in well-defined positions and orientations. Many applications of S-layers depend on the capability of isolated subunits to recrystallize into monomolecular arrays in suspension or on suitable surfaces (e.g., polymers, metals, silicon wafers) or interfaces (e.g., lipid films, liposomes, emulsomes). S-layers also represent a unique structural basis and patterning element for generating more complex supramolecular structures involving all major classes of biological molecules (e.g., proteins, lipids, glycans, nucleic acids, or combinations of these). Thus, S-layers fulfill key requirements as building blocks for the production of new supramolecular materials and nanoscale devices as required in molecular nanotechnology, nanobiotechnology, biomimetics, and synthetic biology. Copyright © 2011 Elsevier Inc. All rights reserved.

Designed β-Boomerang Antiendotoxic and Antimicrobial Peptides

PubMed Central

Bhunia, Anirban; Mohanram, Harini; Domadia, Prerna N.; Torres, Jaume; Bhattacharjya, Surajit

2009-01-01

Lipopolysaccharide (LPS), an integral part of the outer membrane of Gram-negative bacteria, is involved in a variety of biological processes including inflammation, septic shock, and resistance to host-defense molecules. LPS also provides an environment for folding of outer membrane proteins. In this work, we describe the structure-activity correlation of a series of 12-residue peptides in LPS. NMR structures of the peptides derived in complex with LPS reveal boomerang-like β-strand conformations that are stabilized by intimate packing between the two aromatic residues located at the 4 and 9 positions. This structural feature renders these peptides with a high ability to neutralize endotoxicity, >80% at 10 nm concentration, of LPS. Replacements of these aromatic residues either with Ala or with Leu destabilizes the boomerang structure with the concomitant loss of antiendotoxic and antimicrobial activities. Furthermore, the aromatic packing stabilizing the β-boomerang structure in LPS is found to be maintained even in a truncated octapeptide, defining a structured LPS binding motif. The mode of action of the active designed peptides correlates well with their ability to perturb LPS micelle structures. Fourier transform infrared spectroscopy studies of the peptides delineate β-type conformations and immobilization of phosphate head groups of LPS. Trp fluorescence studies demonstrated selective interactions with LPS and the depth of insertion into the LPS bilayer. Our results demonstrate the requirement of LPS-specific structures of peptides for endotoxin neutralizations. In addition, we propose that structures of these peptides may be employed to design proteins for the outer membrane. PMID:19520860

Coupling MD Simulations and X-ray Absorption Spectroscopy to Study Ions in Solution

NASA Astrophysics Data System (ADS)

Marcos, E. Sánchez; Beret, E. C.; Martínez, J. M.; Pappalardo, R. R.; Ayala, R.; Muñoz-Páez, A.

2007-12-01

The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among the reduced number of experimental techniques which can supply direct information on the ion environment, X-ray Absorption techniques (XAS) have gained importance during the last decades although they are not free of difficulties associated to the data analysis leading to provide reliable structures. Computer simulations of ions in solution is a theoretical alternative to provide information on the solvation structure. Thus, the use of computational chemistry can increase the understanding of these systems although an accurate description of ionic solvation phenomena represents nowadays a significant challenge to theoretical chemistry. We present: (a) the assignment of features in the XANES spectrum to well defined structural motif in the ion environment, (b) MD-based evaluation of EXAFS parameters used in the fitting procedure to make easier the structural resolution, and (c) the use of the agreement between experimental and simulated XANES spectra to help in the choice of a given intermolecular potential for Computer Simulations. Chemical problems examined are: (a) the identification of the second hydration shell in dilute aqueous solutions of highly-charged cations, such as Cr3+, Rh3+, Ir3+, (b) the invisibility by XAS of certain structures characterized by Computer Simulations but exhibiting high dynamical behavior and (c) the solvation of Br- in acetonitrile.

Coupling MD Simulations and X-ray Absorption Spectroscopy to Study Ions in Solution

NASA Astrophysics Data System (ADS)

Marcos, E. Sánchez; Beret, E. C.; Martínez, J. M.; Pappalardo, R. R.; Ayala, R.; Muñoz-Páez, A.

2007-11-01

The structure of ionic solutions is a key-point in understanding physicochemical properties of electrolyte solutions. Among the reduced number of experimental techniques which can supply direct information on the ion environment, X-ray Absorption techniques (XAS) have gained importance during the last decades although they are not free of difficulties associated to the data analysis leading to provide reliable structures. Computer simulations of ions in solution is a theoretical alternative to provide information on the solvation structure. Thus, the use of computational chemistry can increase the understanding of these systems although an accurate description of ionic solvation phenomena represents nowadays a significant challenge to theoretical chemistry. We present: (a) the assignment of features in the XANES spectrum to well defined structural motif in the ion environment, (b) MD-based evaluation of EXAFS parameters used in the fitting procedure to make easier the structural resolution, and (c) the use of the agreement between experimental and simulated XANES spectra to help in the choice of a given intermolecular potential for Computer Simulations. Chemical problems examined are: (a) the identification of the second hydration shell in dilute aqueous solutions of highly-charged cations, such as Cr3+, Rh3+, Ir3+, (b) the invisibility by XAS of certain structures characterized by Computer Simulations but exhibiting high dynamical behavior and (c) the solvation of Br- in acetonitrile.

Structural Mapping of Paterae and Mountains on Io: Implications for Crustal Stresses and Feature Evolution

NASA Astrophysics Data System (ADS)

Ahern, A.; Radebaugh, J.; Christiansen, E. H.; Harris, R. A.

2015-12-01

Paterae and mountains are some of the most distinguishing and well-distributed surface features on Io, and they reveal the role of tectonism in Io's crust. Paterae, similar to calderas, are volcano-tectonic collapse features that often have straight margins. Io's mountains are some of the highest in the solar system and contain linear features that reveal crustal stresses. Paterae and mountains are often found adjacent to one another, suggesting possible genetic relationships. We have produced twelve detailed regional structural maps from high-resolution images of relevant features, where available, as well as a global structural map from the Io Global Color Mosaic. The regional structural maps identify features such as fractures, lineations, folds, faults, and mass wasting scarps, which are then interpreted in the context of global and regional stress regimes. A total of 1048 structural lineations have been identified globally. Preliminary analyses of major thrust and normal fault orientations are dominantly 90° offset from each other, suggesting the maximum contractional stresses leading to large mountain formation are not a direct result of tidal extension. Rather, these results corroborate the model of volcanic loading of the crust and global shortening, leading to thrust faulting and uplift of coherent crustal blocks. Several paterae, such as Hi'iaka and Tohil, are found adjacent to mountains inside extensional basins where lava has migrated up normal faults to erupt onto patera floors. Over time, mass wasting and volcanic resurfacing can change mountains from young, steep, and angular peaks to older, gentler, and more rounded hills. Mass wasting scarps make up 53% of all features identified. The structural maps highlight the significant effect of mass wasting on Io's surface, the evolution of mountains through time, the role of tectonics in the formation of paterae, and the formation of mountains through global contraction due to volcanism.

Crustal structure of the southeastern Brazilian margin, Campos Basin, from aeromagnetic data: New kinematic constraints

NASA Astrophysics Data System (ADS)

Stanton, N.; Schmitt, R.; Galdeano, A.; Maia, M.; Mane, M.

2010-07-01

The continental and adjacent marginal features along southeast Brazil were investigated, focusing on the basement structural relationships between onshore and offshore provinces. Lateral and vertical variations in the magnetic anomalies provided a good correlation with the regional tectonic features. The sin-rift dykes and faults are associated with the magnetic lineaments and lie sub parallel to the Precambrian N45E-S45W basement structure of the Ribeira Belt, but orthogonally to the Cabo Frio Tectonic Domain (CFTD) basement, implying that: (1) the upper portion of the continental crust was widely affected by Mesozoic extensional deformation; and (2) tectonic features related to the process of break up of the Gondwana at the CFTD were form regardless of the preexisting structural basement orientation being controlled by the stress orientation during the rift phase. The deep crustal structure (5 km depth) is characterized by NE-SW magnetic "provinces" related to the Ribeira Belt tectonic units, while deep suture zones are defined by magnetic lows. The offshore Campos structural framework is N30E-S30W oriented and resulted from a main WNW-ESE direction of extension in Early Cretaceous. Transfer zones are represented by NW-SE and E-W oriented discontinuities. A slight difference in orientation between onshore (N45E) and offshore (N30E) structural systems seems to reflect a re-orientation of stress during rifting. We proposed a kinematical model to explain the structural evolution of this portion of the margin, characterized by polyphase rifting, associated with the rotation of the South American plate. The Campos Magnetic High (CMH), an important tectonic feature of the Campos Basin corresponds to a wide area of high crustal magnetization. The CMH wass interpreted as a magmatic feature, mafic to ultramafic in composition that extends down to 14 km depth and constitutes an evidence of intense crustal extension at 60 km from the coast.

Rapid and selective updating of the target template in visual search.

PubMed

Sha, Li Z; Remington, Roger W; Jiang, Yuhong V

2017-01-01

Frequent target stimuli are detected more rapidly than infrequent ones. Here, we examined whether the frequency effect reflected durable attentional biases toward frequent target features, and whether the effect was confined to featural properties that defined the target. Participants searched for two specific target colors among distractors of heterogeneous colors and reported the line orientation of the target. The target was more often in one specific feature (e.g., a specific color or a specific orientation) than another in a training phase. This frequency difference was removed or reversed in a testing phase. Experiments 1 and 2 showed that when frequency differences were introduced to the target's defining feature, participants more rapidly found the high-frequency target than the low-frequency target. However, changes in attention were not durable-the search advantage vanished immediately when the frequency differences were removed. Experiments 3-5 showed that only featural properties that defined the target facilitated search of the more frequent feature. Features that did not define the target, such as the target feature that participants reported, sped up response but did not facilitate search. These data showed that when searching for multiple targets in a feature search task, people selectively and rapidly adapt to the frequency in the target's defining feature.

Placenta and Placental Derivatives in Regenerative Therapies: Experimental Studies, History, and Prospects

PubMed Central

Prokopyuk, Volodymyr; Pogozhykh, Denys

2018-01-01

Placental structures, capable to persist in a genetically foreign organism, are a natural model of allogeneic engraftment carrying a number of distinctive properties. In this review, the main features of the placenta and its derivatives such as structure, cellular composition, immunological and endocrine aspects, and the ability to invasion and deportation are discussed. These features are considered from a perspective that determines the placental material as a unique source for regenerative cell therapies and a lesson for immunological tolerance. A historical overview of clinical applications of placental extracts, cells, and tissue components is described. Empirically accumulated data are summarized and compared with modern research. Furthermore, we define scopes and outlooks of application of placental cells and tissues in the rapidly progressing field of regenerative medicine. PMID:29535770

Local kernel nonparametric discriminant analysis for adaptive extraction of complex structures

NASA Astrophysics Data System (ADS)

Li, Quanbao; Wei, Fajie; Zhou, Shenghan

2017-05-01

The linear discriminant analysis (LDA) is one of popular means for linear feature extraction. It usually performs well when the global data structure is consistent with the local data structure. Other frequently-used approaches of feature extraction usually require linear, independence, or large sample condition. However, in real world applications, these assumptions are not always satisfied or cannot be tested. In this paper, we introduce an adaptive method, local kernel nonparametric discriminant analysis (LKNDA), which integrates conventional discriminant analysis with nonparametric statistics. LKNDA is adept in identifying both complex nonlinear structures and the ad hoc rule. Six simulation cases demonstrate that LKNDA have both parametric and nonparametric algorithm advantages and higher classification accuracy. Quartic unilateral kernel function may provide better robustness of prediction than other functions. LKNDA gives an alternative solution for discriminant cases of complex nonlinear feature extraction or unknown feature extraction. At last, the application of LKNDA in the complex feature extraction of financial market activities is proposed.

Experimental verification, and domain definition, of structural alerts for protein binding: epoxides, lactones, nitroso, nitros, aldehydes and ketones.

PubMed

Nelms, M D; Cronin, M T D; Schultz, T W; Enoch, S J

2013-01-01

This study outlines how a combination of in chemico and Tetrahymena pyriformis data can be used to define the applicability domain of selected structural alerts within the profilers of the OECD QSAR Toolbox. Thirty-three chemicals were profiled using the OECD and OASIS profilers, enabling the applicability domain of six structural alerts to be defined, the alerts being: epoxides, lactones, nitrosos, nitros, aldehydes and ketones. Analysis of the experimental data showed the applicability domains for the epoxide, nitroso, aldehyde and ketone structural alerts to be well defined. In contrast, the data showed the applicability domains for the lactone and nitro structural alerts needed modifying. The accurate definition of the applicability domain for structural alerts within in silico profilers is important due to their use in the chemical category in predictive and regulatory toxicology. This study highlights the importance of utilizing multiple profilers in category formation.