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Sample records for complex ti-kr high

  1. Complexity-aware high efficiency video coding

    CERN Document Server

    Correa, Guilherme; Agostini, Luciano; Cruz, Luis A da Silva

    2016-01-01

    This book discusses computational complexity of High Efficiency Video Coding (HEVC) encoders with coverage extending from the analysis of HEVC compression efficiency and computational complexity to the reduction and scaling of its encoding complexity. After an introduction to the topic and a review of the state-of-the-art research in the field, the authors provide a detailed analysis of the HEVC encoding tools compression efficiency and computational complexity.  Readers will benefit from a set of algorithms for scaling the computational complexity of HEVC encoders, all of which take advantage from the flexibility of the frame partitioning structures allowed by the standard.  The authors also provide a set of early termination methods based on data mining and machine learning techniques, which are able to reduce the computational complexity required to find the best frame partitioning structures. The applicability of the proposed methods is finally exemplified with an encoding time control system that emplo...

  2. Complex Development Report: Moanalua High School.

    Science.gov (United States)

    Anbe, Aruga and Ishizu, Architects, Inc., Honolulu, HI.

    This report documents the planning process and the decisions involved in master planning a proposed Honolulu high school, and it provides guidance for the implementation of those increments remaining after phase one of the first increment had been completed in September 1972. Phase two of the first increment and the second increment are now under…

  3. Complex fragment emission at low and high excitation energy

    International Nuclear Information System (INIS)

    Moretto, L.G.

    1986-08-01

    Complex fragment emission has been certified as a compound nucleus process at low energies. An extension of the measurements to heavy ion reactions up to 50 MeV/u shows that most complex fragments are emitted by highly excited compound nuclei formed in incomplete fusion reactions. 12 refs., 26 figs

  4. Highly Luminescent Lanthanide Complexes of 1 Hydroxy-2-pyridinones

    Energy Technology Data Exchange (ETDEWEB)

    University of California, Berkeley; Lawrence National Laboratory; Raymond, Kenneth; Moore, Evan G.; Xu, Jide; Jocher, Christoph J.; Castro-Rodriguez, Ingrid; Raymond, Kenneth N.

    2007-11-01

    The synthesis, X-ray structure, stability, and photophysical properties of several trivalent lanthanide complexes formed from two differing bis-bidentate ligands incorporating either alkyl or alkyl ether linkages and featuring the 1-hydroxy-2-pyridinone (1,2-HOPO) chelate group in complex with Eu(III), Sm(III) and Gd(III) are reported. The Eu(III) complexes are among some of the best examples, pairing highly efficient emission ({Phi}{sub tot}{sup Eu} {approx} 21.5%) with high stability (pEu {approx} 18.6) in aqueous solution, and are excellent candidates for use in biological assays. A comparison of the observed behavior of the complexes with differing backbone linkages shows remarkable similarities, both in stability and photophysical properties. Low temperature photophysical measurements for a Gd(III) complex were also used to gain insight into the electronic structure, and were found to agree with corresponding TD-DFT calculations for a model complex. A comparison of the high resolution Eu(III) emission spectra in solution and from single crystals also revealed a more symmetric coordination geometry about the metal ion in solution due to dynamic rotation of the observed solid state structure.

  5. Infrared spectra of hexamethylbenzene—tetracyanoethylene complexes at high pressures

    Science.gov (United States)

    Yamada, Haruka; Saheki, Masao

    Infrared spectra of hexamethylbenzene(HMB)—tetracyanoethylene(TCNE), 1:1 and 2:1, complexes were measured under high pressures, 11˜4,000 bar. It was found that the CC stretching (A g) band of TCNE became much stronger at high pressures than at 1 bar and that the intensity increase of this band was especially large for both of the complexes. Based on these facts the strong appearance of the CC band at 1 bar, which is inconsistent with the symmetry consideration derived from X-ray analysis, can be discussed.

  6. High frequency vibration analysis by the complex envelope vectorization.

    Science.gov (United States)

    Giannini, O; Carcaterra, A; Sestieri, A

    2007-06-01

    The complex envelope displacement analysis (CEDA) is a procedure to solve high frequency vibration and vibro-acoustic problems, providing the envelope of the physical solution. CEDA is based on a variable transformation mapping the high frequency oscillations into signals of low frequency content and has been successfully applied to one-dimensional systems. However, the extension to plates and vibro-acoustic fields met serious difficulties so that a general revision of the theory was carried out, leading finally to a new method, the complex envelope vectorization (CEV). In this paper the CEV method is described, underlying merits and limits of the procedure, and a set of applications to vibration and vibro-acoustic problems of increasing complexity are presented.

  7. High-resolution method for evolving complex interface networks

    Science.gov (United States)

    Pan, Shucheng; Hu, Xiangyu Y.; Adams, Nikolaus A.

    2018-04-01

    In this paper we describe a high-resolution transport formulation of the regional level-set approach for an improved prediction of the evolution of complex interface networks. The novelty of this method is twofold: (i) construction of local level sets and reconstruction of a global level set, (ii) local transport of the interface network by employing high-order spatial discretization schemes for improved representation of complex topologies. Various numerical test cases of multi-region flow problems, including triple-point advection, single vortex flow, mean curvature flow, normal driven flow, dry foam dynamics and shock-bubble interaction show that the method is accurate and suitable for a wide range of complex interface-network evolutions. Its overall computational cost is comparable to the Semi-Lagrangian regional level-set method while the prediction accuracy is significantly improved. The approach thus offers a viable alternative to previous interface-network level-set method.

  8. Polarization holograms allow highly efficient generation of complex light beams.

    Science.gov (United States)

    Ruiz, U; Pagliusi, P; Provenzano, C; Volke-Sepúlveda, K; Cipparrone, Gabriella

    2013-03-25

    We report a viable method to generate complex beams, such as the non-diffracting Bessel and Weber beams, which relies on the encoding of amplitude information, in addition to phase and polarization, using polarization holography. The holograms are recorded in polarization sensitive films by the interference of a reference plane wave with a tailored complex beam, having orthogonal circular polarizations. The high efficiency, the intrinsic achromaticity and the simplicity of use of the polarization holograms make them competitive with respect to existing methods and attractive for several applications. Theoretical analysis, based on the Jones formalism, and experimental results are shown.

  9. Experimental complex for high flux-materials interaction research

    International Nuclear Information System (INIS)

    Gagen-Torn, V.K.; Kirillov, I.R.; Komarov, V.L.; Litunovsky, V.N.; Mazul, I.V.; Ovchinnikov, I.B.; Prokofjev, Yu.G.; Saksagansky, G.L.; Titov, V.A.

    1995-01-01

    The experimental complex for high heat flux testing of divertor materials and bumper mock-ups under conditions close to both ITER stationary and plasma disruption PFC heat loads is described. High power plasma and electron beams are using as high heat flux sources. The former are applied to disruption simulation experiments. The values of pulsed plasma heat flux load up to 110 MJ/m 2 and stationary e-beam load up to 15 MW/m 2 can obtained on these facilities. (orig.)

  10. Model Complexities of Shallow Networks Representing Highly Varying Functions

    Czech Academy of Sciences Publication Activity Database

    Kůrková, Věra; Sanguineti, M.

    2016-01-01

    Roč. 171, 1 January (2016), s. 598-604 ISSN 0925-2312 R&D Projects: GA MŠk(CZ) LD13002 Grant - others:grant for Visiting Professors(IT) GNAMPA-INdAM Institutional support: RVO:67985807 Keywords : shallow networks * model complexity * highly varying functions * Chernoff bound * perceptrons * Gaussian kernel units Subject RIV: IN - Informatics, Computer Science Impact factor: 3.317, year: 2016

  11. Convergent evolution of complex brains and high intelligence.

    Science.gov (United States)

    Roth, Gerhard

    2015-12-19

    Within the animal kingdom, complex brains and high intelligence have evolved several to many times independently, e.g. among ecdysozoans in some groups of insects (e.g. blattoid, dipteran, hymenopteran taxa), among lophotrochozoans in octopodid molluscs, among vertebrates in teleosts (e.g. cichlids), corvid and psittacid birds, and cetaceans, elephants and primates. High levels of intelligence are invariantly bound to multimodal centres such as the mushroom bodies in insects, the vertical lobe in octopodids, the pallium in birds and the cerebral cortex in primates, all of which contain highly ordered associative neuronal networks. The driving forces for high intelligence may vary among the mentioned taxa, e.g. needs for spatial learning and foraging strategies in insects and cephalopods, for social learning in cichlids, instrumental learning and spatial orientation in birds and social as well as instrumental learning in primates. © 2015 The Author(s).

  12. Complex correlation approach for high frequency financial data

    Science.gov (United States)

    Wilinski, Mateusz; Ikeda, Yuichi; Aoyama, Hideaki

    2018-02-01

    We propose a novel approach that allows the calculation of a Hilbert transform based complex correlation for unevenly spaced data. This method is especially suitable for high frequency trading data, which are of a particular interest in finance. Its most important feature is the ability to take into account lead-lag relations on different scales, without knowing them in advance. We also present results obtained with this approach while working on Tokyo Stock Exchange intraday quotations. We show that individual sectors and subsectors tend to form important market components which may follow each other with small but significant delays. These components may be recognized by analysing eigenvectors of complex correlation matrix for Nikkei 225 stocks. Interestingly, sectorial components are also found in eigenvectors corresponding to the bulk eigenvalues, traditionally treated as noise.

  13. Highly divergent mitochondrial ATP synthase complexes in Tetrahymena thermophila.

    Directory of Open Access Journals (Sweden)

    Praveen Balabaskaran Nina

    2010-07-01

    Full Text Available The F-type ATP synthase complex is a rotary nano-motor driven by proton motive force to synthesize ATP. Its F(1 sector catalyzes ATP synthesis, whereas the F(o sector conducts the protons and provides a stator for the rotary action of the complex. Components of both F(1 and F(o sectors are highly conserved across prokaryotes and eukaryotes. Therefore, it was a surprise that genes encoding the a and b subunits as well as other components of the F(o sector were undetectable in the sequenced genomes of a variety of apicomplexan parasites. While the parasitic existence of these organisms could explain the apparent incomplete nature of ATP synthase in Apicomplexa, genes for these essential components were absent even in Tetrahymena thermophila, a free-living ciliate belonging to a sister clade of Apicomplexa, which demonstrates robust oxidative phosphorylation. This observation raises the possibility that the entire clade of Alveolata may have invented novel means to operate ATP synthase complexes. To assess this remarkable possibility, we have carried out an investigation of the ATP synthase from T. thermophila. Blue native polyacrylamide gel electrophoresis (BN-PAGE revealed the ATP synthase to be present as a large complex. Structural study based on single particle electron microscopy analysis suggested the complex to be a dimer with several unique structures including an unusually large domain on the intermembrane side of the ATP synthase and novel domains flanking the c subunit rings. The two monomers were in a parallel configuration rather than the angled configuration previously observed in other organisms. Proteomic analyses of well-resolved ATP synthase complexes from 2-D BN/BN-PAGE identified orthologs of seven canonical ATP synthase subunits, and at least 13 novel proteins that constitute subunits apparently limited to the ciliate lineage. A mitochondrially encoded protein, Ymf66, with predicted eight transmembrane domains could be a

  14. High-level waste program integration within the DOE complex

    International Nuclear Information System (INIS)

    Valentine, J.H.; Malone, K.; Schaus, P.S.

    1998-03-01

    Eleven major Department of Energy (DOE) site contractors were chartered by the Assistant Secretary to use a systems engineering approach to develop and evaluate technically defensible cost savings opportunities across the complex. Known as the complex-wide Environmental Management Integration (EMI), this process evaluated all the major DOE waste streams including high level waste (HLW). Across the DOE complex, this waste stream has the highest life cycle cost and is scheduled to take until at least 2035 before all HLW is processed for disposal. Technical contract experts from the four DOE sites that manage high level waste participated in the integration analysis: Hanford, Savannah River Site (SRS), Idaho National Engineering and Environmental Laboratory (INEEL), and West Valley Demonstration Project (WVDP). In addition, subject matter experts from the Yucca Mountain Project and the Tanks Focus Area participated in the analysis. Also, departmental representatives from the US Department of Energy Headquarters (DOE-HQ) monitored the analysis and results. Workouts were held throughout the year to develop recommendations to achieve a complex-wide integrated program. From this effort, the HLW Environmental Management (EM) Team identified a set of programmatic and technical opportunities that could result in potential cost savings and avoidance in excess of $18 billion and an accelerated completion of the HLW mission by seven years. The cost savings, schedule improvements, and volume reduction are attributed to a multifaceted HLW treatment disposal strategy which involves waste pretreatment, standardized waste matrices, risk-based retrieval, early development and deployment of a shipping system for glass canisters, and reasonable, low cost tank closure

  15. Collective space of high-rise housing complex

    Directory of Open Access Journals (Sweden)

    Bakaeva Tatyana

    2018-01-01

    Full Text Available The article considers the problems of support of citizens a comfortable living environment in the conditions of the limited territory of the megalopolis, the typological principles of formation of space-planning structure high-rise residence complexes with public space. The collective space for residents of high-rise housing estates on the example of international experience of design and construction is in detail considered. The collective space and the area of the standard apartment are analysed on comfort classes: a social - complex Pinnacle @ Duxton, a business - Monde Condos and an elite - Hamilton Scotts. Interdependence the area of the standard flat and the total area of housing collective space, in addiction on the comfort level, is revealed. In the conditions of high-density urban development, the collective space allows to form the comfortable environment for accommodation. The recommendations for achievement of integrity and improvement of quality of the city environment are made. The convenient collective space makes a contribution to civil policy, it creates the socializing sense of interaction of residents, coagulates social effect.

  16. Collective space of high-rise housing complex

    Science.gov (United States)

    Bakaeva, Tatyana

    2018-03-01

    The article considers the problems of support of citizens a comfortable living environment in the conditions of the limited territory of the megalopolis, the typological principles of formation of space-planning structure high-rise residence complexes with public space. The collective space for residents of high-rise housing estates on the example of international experience of design and construction is in detail considered. The collective space and the area of the standard apartment are analysed on comfort classes: a social - complex Pinnacle @ Duxton, a business - Monde Condos and an elite - Hamilton Scotts. Interdependence the area of the standard flat and the total area of housing collective space, in addiction on the comfort level, is revealed. In the conditions of high-density urban development, the collective space allows to form the comfortable environment for accommodation. The recommendations for achievement of integrity and improvement of quality of the city environment are made. The convenient collective space makes a contribution to civil policy, it creates the socializing sense of interaction of residents, coagulates social effect.

  17. High Molecular Weight Forms of Mammalian Respiratory Chain Complex II

    Czech Academy of Sciences Publication Activity Database

    Kovářová, Nikola; Mráček, Tomáš; Nůsková, Hana; Holzerová, Eliška; Vrbacký, Marek; Pecina, Petr; Hejzlarová, Kateřina; Klučková, Katarína; Rohlena, Jakub; Neužil, Jiří; Houštěk, Josef

    2013-01-01

    Roč. 8, č. 8 (2013), e71869 E-ISSN 1932-6203 R&D Projects: GA ČR(CZ) GPP303/10/P227; GA MŠk(CZ) LL1204; GA MZd(CZ) NT12370; GA ČR(CZ) GAP301/10/1937 Institutional research plan: CEZ:AV0Z50520701 Institutional support: RVO:67985823 Keywords : supercomplexes * high molecular weihgt forms of complex II * native electrophoretic systems Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 3.534, year: 2013

  18. Patterning of high mobility electron gases at complex oxide interfaces

    DEFF Research Database (Denmark)

    Trier, Felix; Prawiroatmodjo, G. E. D. K.; von Soosten, Merlin

    2015-01-01

    Oxide interfaces provide an opportunity for electronics. However, patterning of electron gases at complex oxide interfaces is challenging. In particular, patterning of complex oxides while preserving a high electron mobility remains underexplored and inhibits the study of quantum mechanical effects...... of amorphous-LSM (a-LSM) thin films, which acts as a hard mask during subsequent depositions. Strikingly, the patterned modulation-doped interface shows electron mobilities up to ∼8 700 cm2/V s at 2 K, which is among the highest reported values for patterned conducting complex oxide interfaces that usually...... where extended electron mean free paths are paramount. This letter presents an effective patterning strategy of both the amorphous-LaAlO3/SrTiO3 (a-LAO/STO) and modulation-doped amorphous-LaAlO3/La7/8Sr1/8MnO3/SrTiO3 (a-LAO/LSM/STO) oxide interfaces. Our patterning is based on selective wet etching...

  19. Adaptation to High Ethanol Reveals Complex Evolutionary Pathways.

    Directory of Open Access Journals (Sweden)

    Karin Voordeckers

    2015-11-01

    Full Text Available Tolerance to high levels of ethanol is an ecologically and industrially relevant phenotype of microbes, but the molecular mechanisms underlying this complex trait remain largely unknown. Here, we use long-term experimental evolution of isogenic yeast populations of different initial ploidy to study adaptation to increasing levels of ethanol. Whole-genome sequencing of more than 30 evolved populations and over 100 adapted clones isolated throughout this two-year evolution experiment revealed how a complex interplay of de novo single nucleotide mutations, copy number variation, ploidy changes, mutator phenotypes, and clonal interference led to a significant increase in ethanol tolerance. Although the specific mutations differ between different evolved lineages, application of a novel computational pipeline, PheNetic, revealed that many mutations target functional modules involved in stress response, cell cycle regulation, DNA repair and respiration. Measuring the fitness effects of selected mutations introduced in non-evolved ethanol-sensitive cells revealed several adaptive mutations that had previously not been implicated in ethanol tolerance, including mutations in PRT1, VPS70 and MEX67. Interestingly, variation in VPS70 was recently identified as a QTL for ethanol tolerance in an industrial bio-ethanol strain. Taken together, our results show how, in contrast to adaptation to some other stresses, adaptation to a continuous complex and severe stress involves interplay of different evolutionary mechanisms. In addition, our study reveals functional modules involved in ethanol resistance and identifies several mutations that could help to improve the ethanol tolerance of industrial yeasts.

  20. High-temperature carbonates in the Stillwater Complex, Montana, USA

    Science.gov (United States)

    Aird, H. M.; Boudreau, A. E.

    2012-12-01

    The processes involved in the petrogenesis of the sulphide-hosted platinum-group-element (PGE) deposits of the Stillwater Complex are controversial, with theories ranging from the purely magmatic to those involving an aqueous fluid. To further constrain these models, we have been examining the trace phase assemblages in rocks away from the ore zones. High-temperature carbonates have been observed in association with sulphide minerals below the platiniferous J-M Reef of the Stillwater Complex. The carbonate assemblage consists of dolomite with exsolved calcite and is found in contact with sulphide minerals: chalcopyrite and pyrrhotite in the Peridotite Zone; and pyrrhotite with pentlandite, pyrite and chalcopyrite in Gabbronorite I of the Lower Banded Series. The minimal silicate alteration and the lack of greenschist minerals in association with the mineral assemblage are consistent with a high-temperature origin for the carbonates. The calcite-dolomite geothermometer [1] yields a minimum formation temperature of ~900°C for the unmixed assemblages. A reaction rim surrounds the carbonate-sulphide assemblages, showing an alteration of the host orthopyroxene to a more Ca-enriched, Fe-depleted composition. This is consistent with diffusive exchange between carbonates and pyroxenes at high temperatures, mediated by an aqueous fluid. The highly variable molar MnO/FeO ratios in both the high-temperature carbonates and their associated altered pyroxene rims also imply their interaction with a fluid. The carbonate assemblages are consistent with Stillwater fluid inclusion studies [2], showing that fluids comprising coexisting Cl-rich brine and carbonic fluid were trapped in pegmatitic quartz at 700-715°C, some of which also contained "accidental" calcite inclusions. The high Cl-content of apatite [3] found below the platiniferous J-M Reef is further evidence that a Cl-rich fluid was migrating through the rocks beneath the Reef. Carbonates have been shown to be stabilized

  1. HIGH PERFORMANCE PIAA CORONAGRAPHY WITH COMPLEX AMPLITUDE FOCAL PLANE MASKS

    International Nuclear Information System (INIS)

    Guyon, Olivier; Martinache, Frantz; Belikov, Ruslan; Soummer, Remi

    2010-01-01

    We describe a coronagraph approach where the performance of a Phase-Induced Amplitude Apodization (PIAA) coronagraph is improved by using a partially transmissive phase-shifting focal plane mask and a Lyot stop. This approach combines the low inner working angle offered by phase mask coronagraphy, the full throughput and uncompromized angular resolution of the PIAA approach, and the design flexibility of Apodized Pupil Lyot Coronagraph. A PIAA complex mask coronagraph (PIAACMC) is fully described by the focal plane mask size, or, equivalently, its complex transmission which ranges from 0 (opaque) to -1 (phase shifting). For all values of the transmission, the PIAACMC theoretically offers full on-axis extinction and 100% throughput at large angular separations. With a pure phase focal plane mask (complex transmission = -1), the PIAACMC offers 50% throughput at 0.64 λ/D while providing total extinction of an on-axis point source. This performance is very close to the 'fundamental performance limit' of coronagraphy derived from first principles. For very high contrast level, imaging performance with PIAACMC is in practice limited by the angular size of the on-axis target (usually a star). We show that this fundamental limitation must be taken into account when choosing the optimal value of the focal plane mask size in the PIAACMC design. We show that the PIAACMC enables visible imaging of Jupiter-like planets at ∼1.2 λ/D from the host star, and can therefore offer almost three times more targets than a PIAA coronagraph optimized for this type of observation. We find that for visible imaging of Earth-like planets, the PIAACMC gain over a PIAA is probably much smaller, as coronagraphic performance is then strongly constrained by stellar angular size. For observations at 'low' contrast (below ∼ 10 8 ), the PIAACMC offers significant performance enhancement over PIAA. This is especially relevant for ground-based high contrast imaging systems in the near-IR, where

  2. Statistical mechanics of complex neural systems and high dimensional data

    International Nuclear Information System (INIS)

    Advani, Madhu; Lahiri, Subhaneil; Ganguli, Surya

    2013-01-01

    Recent experimental advances in neuroscience have opened new vistas into the immense complexity of neuronal networks. This proliferation of data challenges us on two parallel fronts. First, how can we form adequate theoretical frameworks for understanding how dynamical network processes cooperate across widely disparate spatiotemporal scales to solve important computational problems? Second, how can we extract meaningful models of neuronal systems from high dimensional datasets? To aid in these challenges, we give a pedagogical review of a collection of ideas and theoretical methods arising at the intersection of statistical physics, computer science and neurobiology. We introduce the interrelated replica and cavity methods, which originated in statistical physics as powerful ways to quantitatively analyze large highly heterogeneous systems of many interacting degrees of freedom. We also introduce the closely related notion of message passing in graphical models, which originated in computer science as a distributed algorithm capable of solving large inference and optimization problems involving many coupled variables. We then show how both the statistical physics and computer science perspectives can be applied in a wide diversity of contexts to problems arising in theoretical neuroscience and data analysis. Along the way we discuss spin glasses, learning theory, illusions of structure in noise, random matrices, dimensionality reduction and compressed sensing, all within the unified formalism of the replica method. Moreover, we review recent conceptual connections between message passing in graphical models, and neural computation and learning. Overall, these ideas illustrate how statistical physics and computer science might provide a lens through which we can uncover emergent computational functions buried deep within the dynamical complexities of neuronal networks. (paper)

  3. Objective high Resolution Analysis over Complex Terrain with VERA

    Science.gov (United States)

    Mayer, D.; Steinacker, R.; Steiner, A.

    2012-04-01

    VERA (Vienna Enhanced Resolution Analysis) is a model independent, high resolution objective analysis of meteorological fields over complex terrain. This system consists of a special developed quality control procedure and a combination of an interpolation and a downscaling technique. Whereas the so called VERA-QC is presented at this conference in the contribution titled "VERA-QC, an approved Data Quality Control based on Self-Consistency" by Andrea Steiner, this presentation will focus on the method and the characteristics of the VERA interpolation scheme which enables one to compute grid point values of a meteorological field based on irregularly distributed observations and topography related aprior knowledge. Over a complex topography meteorological fields are not smooth in general. The roughness which is induced by the topography can be explained physically. The knowledge about this behavior is used to define the so called Fingerprints (e.g. a thermal Fingerprint reproducing heating or cooling over mountainous terrain or a dynamical Fingerprint reproducing positive pressure perturbation on the windward side of a ridge) under idealized conditions. If the VERA algorithm recognizes patterns of one or more Fingerprints at a few observation points, the corresponding patterns are used to downscale the meteorological information in a greater surrounding. This technique allows to achieve an analysis with a resolution much higher than the one of the observational network. The interpolation of irregularly distributed stations to a regular grid (in space and time) is based on a variational principle applied to first and second order spatial and temporal derivatives. Mathematically, this can be formulated as a cost function that is equivalent to the penalty function of a thin plate smoothing spline. After the analysis field has been divided into the Fingerprint components and the unexplained part respectively, the requirement of a smooth distribution is applied to the

  4. A New Boundary for the High Plains - Ogallala Aquifer Complex

    Science.gov (United States)

    Haacker, E. M.; Nozari, S.; Kendall, A. D.

    2017-12-01

    In the semi-arid Great Plains, water is the key ingredient for crop growth: the difference between meager yields for many crops and an agricultural bonanza. The High Plains-Ogallala Aquifer complex (HPA) underlies 452,000 square kilometers of the region, and over 95% of water withdrawn from the aquifer is used for irrigation. Much of the HPA is being pumped unsustainably, and since the region is heavily reliant on this resource for its social and economic health, the High Plains has been a leader in groundwater management planning. However, the geographic boundary of the High Plains region fails to reflect the hydrogeological realities of the aquifer. The current boundary, recognizable from countless textbooks and news articles, is only slightly modified from a version from the 1980's, and largely follows the physiographic borders of the High Plains - defined by surface features such as escarpments and rivers - rather than the edges of water-bearing sediment sufficient for high-volume pumping. This is supported by three lines of evidence: hydrogeological observations from the original aquifer boundary determination; the extent of irrigated land, as estimated by MODIS-MIrAD data; and statistical estimates of saturated thickness, incorporating improved maps of the aquifer base and an additional 35 years of water table measurements. In this project, new maps of saturated thickness are used to create an updated aquifer boundary, which conforms with the standard definition of an aquifer as a package of sediment that yields enough water to be economically pumped. This has major implications for social and physical models, as well as water planning and estimates of sustainability for the HPA. Much of the area of the HPA that has been labeled `sustainable' based upon estimates of recharge relative to pumping estimates falls outside the updated aquifer boundary. In reality, the sustainably-pumped area of this updated aquifer boundary is far smaller—a fact that if more

  5. Compliance and High Reliability in a Complex Healthcare Organization.

    Science.gov (United States)

    Simon, Maxine dellaBadia

    2018-01-01

    When considering the impact of regulation on healthcare, visualize a spider's web. The spider weaves sections together to create the whole, with each fiber adding to the structure to support its success or lead to its failure. Each section is dependent on the others, and all must be aligned to maintain the structure. Outside forces can cause a shift in the web's fragile equilibrium.The interdependence of the sections of the spider's web is similar to the way hospital departments and services work together. An organization's structure must be shaped to support its mission and vision. At the same time, the business of healthcare requires the development and achievement of operational objectives and financial performance goals. Establishing a culture that is flexible enough to permit creativity, provide resiliency, and manage complexity as the organization grows is fundamental to success. An organization must address each of these factors while maintaining stability, carrying out its mission, and fostering improvement.Nature's order maintains the spider's web. Likewise, regulation can strengthen healthcare organizations by initiating disruptive changes that can support efforts to achieve and sustain high reliability in the delivery of care. To that end, leadership must be willing to provide the necessary vision and resources.

  6. Architecture of high reliable control systems using complex software

    International Nuclear Information System (INIS)

    Tallec, M.

    1990-01-01

    The problems involved by the use of complex softwares in control systems that must insure a very high level of safety are examined. The first part makes a brief description of the prototype of PROSPER system. PROSPER means protection system for nuclear reactor with high performances. It has been installed on a French nuclear power plant at the beginnning of 1987 and has been continually working since that time. This prototype is realized on a multi-processors system. The processors communicate between themselves using interruptions and protected shared memories. On each processor, one or more protection algorithms are implemented. Those algorithms use data coming directly from the plant and, eventually, data computed by the other protection algorithms. Each processor makes its own acquisitions from the process and sends warning messages if some operating anomaly is detected. All algorithms are activated concurrently on an asynchronous way. The results are presented and the safety related problems are detailed. - The second part is about measurements' validation. First, we describe how the sensors' measurements will be used in a protection system. Then, a proposal for a method based on the techniques of artificial intelligence (expert systems and neural networks) is presented. - The last part is about the problems of architectures of systems including hardware and software: the different types of redundancies used till now and a proposition of a multi-processors architecture which uses an operating system that is able to manage several tasks implemented on different processors, which verifies the good operating of each of those tasks and of the related processors and which allows to carry on the operation of the system, even in a degraded manner when a failure has been detected are detailed [fr

  7. Highly Divergent Mitochondrial ATP Synthase Complexes in Tetrahymena thermophila

    NARCIS (Netherlands)

    Nina, Praveen Balabaskaran; Dudkina, Natalya V.; Kane, Lesley A.; van Eyk, Jennifer E.; Boekema, Egbert J.; Mather, Michael W.; Vaidya, Akhil B.; Eisen, Jonathan A.

    The F-type ATP synthase complex is a rotary nano-motor driven by proton motive force to synthesize ATP. Its F(1) sector catalyzes ATP synthesis, whereas the F(o) sector conducts the protons and provides a stator for the rotary action of the complex. Components of both F(1) and F(o) sectors are

  8. High performance ultrasonic field simulation on complex geometries

    Science.gov (United States)

    Chouh, H.; Rougeron, G.; Chatillon, S.; Iehl, J. C.; Farrugia, J. P.; Ostromoukhov, V.

    2016-02-01

    Ultrasonic field simulation is a key ingredient for the design of new testing methods as well as a crucial step for NDT inspection simulation. As presented in a previous paper [1], CEA-LIST has worked on the acceleration of these simulations focusing on simple geometries (planar interfaces, isotropic materials). In this context, significant accelerations were achieved on multicore processors and GPUs (Graphics Processing Units), bringing the execution time of realistic computations in the 0.1 s range. In this paper, we present recent works that aim at similar performances on a wider range of configurations. We adapted the physical model used by the CIVA platform to design and implement a new algorithm providing a fast ultrasonic field simulation that yields nearly interactive results for complex cases. The improvements over the CIVA pencil-tracing method include adaptive strategies for pencil subdivisions to achieve a good refinement of the sensor geometry while keeping a reasonable number of ray-tracing operations. Also, interpolation of the times of flight was used to avoid time consuming computations in the impulse response reconstruction stage. To achieve the best performance, our algorithm runs on multi-core superscalar CPUs and uses high performance specialized libraries such as Intel Embree for ray-tracing, Intel MKL for signal processing and Intel TBB for parallelization. We validated the simulation results by comparing them to the ones produced by CIVA on identical test configurations including mono-element and multiple-element transducers, homogeneous, meshed 3D CAD specimens, isotropic and anisotropic materials and wave paths that can involve several interactions with interfaces. We show performance results on complete simulations that achieve computation times in the 1s range.

  9. Mitigating Uncertainty from Vegetation Spatial Complexity with Highly Portable Lidar

    Science.gov (United States)

    Paynter, I.; Schaaf, C.; Peri, F.; Saenz, E. J.; Genest, D.; Strahler, A. H.; Li, Z.

    2015-12-01

    To fully utilize the excellent spatial coverage and temporal resolution offered by satellite resources for estimating ecological variables, fine-scale observations are required for comparison, calibration and validation. Lidar instruments have proved effective in estimating the properties of vegetation components of ecosystems, but they are often challenged by occlusion, especially in structurally complex and spatially fragmented ecosystems such as tropical forests. Increasing the range of view angles, both horizontally and vertically, by increasing the number of scans, can mitigate occlusion. However these scans must occur within the window of temporal stability for the ecosystem and vegetation property being measured. The Compact Biomass Lidar (CBL) is a TLS optimized for portability and scanning speed, developed and operated by University of Massachusetts Boston. This 905nm wavelength scanner achieves an angular resolution of 0.25 degrees at a rate of 33 seconds per scan. The ability to acquire many scans within narrow windows of temporal stability for ecological variables has facilitated the more complete investigation of ecosystem structural characteristics, and their expression as a function of view angle. The lightweight CBL has facilitated the use of alternative deployment platforms including towers, trams and masts, allowing analysis of the vertical structure of ecosystems, even in highly enclosed environments such as the sub-canopy of tropical forests where aerial vehicles cannot currently operate. We will present results from view angle analyses of lidar surveys of tropical rainforest in La Selva, Costa Rica where the CBL was deployed at heights up to 10m in Carbono long-term research plots utilizing a portable mast, and on a 25m stationary tower; and temperate forest at Harvard Forest, Massachusetts, USA, where the CBL has been deployed biannually at long-term research plots of hardwood and hemlock, as well as at heights of up to 25m utilizing a

  10. Circular chromatin complexes in human lymphocytes high-resolution autoradiography

    International Nuclear Information System (INIS)

    Becak, M.L.; Fukuda-Pizzocaro, K.; Santos, R. de C.S. dos; Brunner, O.

    1985-01-01

    Transcriptionally active chromatin fibers were observed in chromosomes presenting the loops/scaffold configuration. The active fibers showed altered nucleosomes and presented multiforked aspects which led to the formation of ring complexes. The ribonucleoprotein transcripts (RNP) appeared as networks of 0.1 μm or multiples tandemly disposed along the fiber. It is suggested that the ring complexes belong to the human genome. The possibility that these circular structures come from a prokaryote is also considered. (author) [pt

  11. Statistical emission of complex fragments from highly excited compound nucleus

    International Nuclear Information System (INIS)

    Matsuse, T.

    1991-01-01

    A full statistical analysis has been given in terms of the Extended Hauser-Feshbach method. The charge and kinetic energy distributions of 35 Cl+ 12 C reaction at E lab = 180, 200 MeV and 23 Na+ 24 Mg reaction at E lab = 89 MeV which form the 47 V compound nucleus are investigated as a prototype of the light mass system. The measured kinetic energy distributions of the complex fragments are shown to be well reproduced by the Extended Hauser-Feshbach method, so the observed complex fragment production is understood as the statistical binary decay from the compound nucleus induced by heavy-ion reaction. Next, this method is applied to the study of the complex production from the 111 In compound nucleus which is formed by the 84 Kr+ 27 Al reaction at E lab = 890 MeV. (K.A.) 18 refs., 10 figs

  12. Electron Temperatures in W51 Complex from High Resolution, Low ...

    Indian Academy of Sciences (India)

    2016-01-27

    Jan 27, 2016 ... We have made continuum radio observations of these HII regions of the W51 complex at 240, 610, 1060 and 1400 MHz using GMRT with lower resolution (20'' × 15'') at the lowest frequency. The observed spectra of the prominent thermal subcomponents of W51 have been fitted to a free-free emission ...

  13. Decision making under conditions of high complexity and uncertainty

    Energy Technology Data Exchange (ETDEWEB)

    Sherwell, J.

    1999-07-01

    There is a trend to move environmental policy away from a command and control position to a more market based approach. Decision making under this new approach is made more difficult for both the regulators and the regulated due in part to the constant conflict arising from the divergent expectations that participants may have for the outcome of policy deliberations and from the complexity and uncertainty inherent in the systems that are to be regulated. This change in policy reflects the maturing of environment issues from a must do towards maintenance and reasonable progress and a condition of Sustainable Development. The emerging science of Complexity Theory and the established methods of Game Theory can provide theoretical tools that can act as an aid to decision-makers as they negotiate the perplexing landscape of conflicting needs and wants. The role of these methods in the development and implementation of policy on issues associated with Sustainable Development is of considerable importance. This paper presents a review of approaches to decision making under uncertainty, from Game Theory and Complexity Theory. Data from simulations, such as the Iterated Prisoner's Dilemma, and Controlled Chaos are discussed as they relate the complexity of the underlying economic and ecological systems to natural resource use and exploitation, pollution control and carrying capacity. The important role for rules and their regular review and implementation is highlighted.

  14. High-Speed, High-Performance DQPSK Optical Links with Reduced Complexity VDFE Equalizers

    Directory of Open Access Journals (Sweden)

    Maki Nanou

    2017-02-01

    Full Text Available Optical transmission technologies optimized for optical network segments sensitive to power consumption and cost, comprise modulation formats with direct detection technologies. Specifically, non-return to zero differential quaternary phase shift keying (NRZ-DQPSK in deployed fiber plants, combined with high-performance, low-complexity electronic equalizers to compensate residual impairments at the receiver end, can be proved as a viable solution for high-performance, high-capacity optical links. Joint processing of the constructive and the destructive signals at the single-ended DQPSK receiver provides improved performance compared to the balanced configuration, however, at the expense of higher hardware requirements, a fact that may not be neglected especially in the case of high-speed optical links. To overcome this bottleneck, the use of partially joint constructive/destructive DQPSK equalization is investigated in this paper. Symbol-by-symbol equalization is performed by means of Volterra decision feedback-type equalizers, driven by a reduced subset of signals selected from the constructive and the destructive ports of the optical detectors. The proposed approach offers a low-complexity alternative for electronic equalization, without sacrificing much of the performance compared to the fully-deployed counterpart. The efficiency of the proposed equalizers is demonstrated by means of computer simulation in a typical optical transmission scenario.

  15. Self-dissimilarity as a High Dimensional Complexity Measure

    Science.gov (United States)

    Wolpert, David H.; Macready, William

    2005-01-01

    For many systems characterized as "complex" the patterns exhibited on different scales differ markedly from one another. For example the biomass distribution in a human body "looks very different" depending on the scale at which one examines it. Conversely, the patterns at different scales in "simple" systems (e.g., gases, mountains, crystals) vary little from one scale to another. Accordingly, the degrees of self-dissimilarity between the patterns of a system at various scales constitute a complexity "signature" of that system. Here we present a novel quantification of self-dissimilarity. This signature can, if desired, incorporate a novel information-theoretic measure of the distance between probability distributions that we derive here. Whatever distance measure is chosen, our quantification of self-dissimilarity can be measured for many kinds of real-world data. This allows comparisons of the complexity signatures of wholly different kinds of systems (e.g., systems involving information density in a digital computer vs. species densities in a rain-forest vs. capital density in an economy, etc.). Moreover, in contrast to many other suggested complexity measures, evaluating the self-dissimilarity of a system does not require one to already have a model of the system. These facts may allow self-dissimilarity signatures to be used a s the underlying observational variables of an eventual overarching theory relating all complex systems. To illustrate self-dissimilarity we present several numerical experiments. In particular, we show that underlying structure of the logistic map is picked out by the self-dissimilarity signature of time series produced by that map

  16. High-performance mussel-inspired adhesives of reduced complexity.

    Science.gov (United States)

    Ahn, B Kollbe; Das, Saurabh; Linstadt, Roscoe; Kaufman, Yair; Martinez-Rodriguez, Nadine R; Mirshafian, Razieh; Kesselman, Ellina; Talmon, Yeshayahu; Lipshutz, Bruce H; Israelachvili, Jacob N; Waite, J Herbert

    2015-10-19

    Despite the recent progress in and demand for wet adhesives, practical underwater adhesion remains limited or non-existent for diverse applications. Translation of mussel-inspired wet adhesion typically entails catechol functionalization of polymers and/or polyelectrolytes, and solution processing of many complex components and steps that require optimization and stabilization. Here we reduced the complexity of a wet adhesive primer to synthetic low-molecular-weight catecholic zwitterionic surfactants that show very strong adhesion (∼50 mJ m(-2)) and retain the ability to coacervate. This catecholic zwitterion adheres to diverse surfaces and self-assembles into a molecularly smooth, thin (adhesive for nanofabrication. This study significantly simplifies bio-inspired themes for wet adhesion by combining catechol with hydrophobic and electrostatic functional groups in a small molecule.

  17. PI-PI scattering at high complex energies

    International Nuclear Information System (INIS)

    Ciulli, S.; Verzegnassi, C.

    1976-12-01

    We estrapolate the PI-PI amplitudes with isospin one and two in the t-channel onto the imaginary ν approximately equal to (s - u)/4msub(π) axis in the complex ν-plane by means of ''optimal'' Poisson weighted dispersion relations. The values obtained are compared with expected theoretical asymptotic behaviours and found not to be inconsistent with the possibility of a ''precocious asymptotism'' setting for imaginary ν-values

  18. Purification of Ovine Respiratory Complex I Results in a Highly Active and Stable Preparation*

    Science.gov (United States)

    Letts, James A.; Degliesposti, Gianluca; Fiedorczuk, Karol; Skehel, Mark; Sazanov, Leonid A.

    2016-01-01

    NADH-ubiquinone oxidoreductase (complex I) is the largest (∼1 MDa) and the least characterized complex of the mitochondrial electron transport chain. Because of the ease of sample availability, previous work has focused almost exclusively on bovine complex I. However, only medium resolution structural analyses of this complex have been reported. Working with other mammalian complex I homologues is a potential approach for overcoming these limitations. Due to the inherent difficulty of expressing large membrane protein complexes, screening of complex I homologues is limited to large mammals reared for human consumption. The high sequence identity among these available sources may preclude the benefits of screening. Here, we report the characterization of complex I purified from Ovis aries (ovine) heart mitochondria. All 44 unique subunits of the intact complex were identified by mass spectrometry. We identified differences in the subunit composition of subcomplexes of ovine complex I as compared with bovine, suggesting differential stability of inter-subunit interactions within the complex. Furthermore, the 42-kDa subunit, which is easily lost from the bovine enzyme, remains tightly bound to ovine complex I. Additionally, we developed a novel purification protocol for highly active and stable mitochondrial complex I using the branched-chain detergent lauryl maltose neopentyl glycol. Our data demonstrate that, although closely related, significant differences exist between the biochemical properties of complex I prepared from ovine and bovine mitochondria and that ovine complex I represents a suitable alternative target for further structural studies. PMID:27672209

  19. CERN Proton Synchrotron Complex High-Level Controls Renovation

    CERN Document Server

    Deghaye, S; Garcia Quintas, D; Gourber-Pace, M; Kruk, G; Kulikova, O; Lezhebokov, V; Pasinelli, S; Peryt, M; Roderick, C; Roux, E; Sobczak, M; Steerenberg, R; Wozniak, J; Zaharieva, Z

    2009-01-01

    After a detailed study of the Proton Synchrotron (PS) complex requirements by experts of CERN controls & operation groups, a proposal to develop a new system, called Injector Controls Architecture (InCA), was presented to and accepted by the management late 2007. Aiming at the homogenisation of the control systems across CERN accelerators, InCA is based on components developed for the Large Hadron Collider (LHC) but also new components required to fulfil operation needs. In 2008, the project was in its elaboration phase and we successfully validated its architecture and critical use-cases during several machine development sessions. After description of the architecture put in place and the components used, this paper describes the planning approach taken combining iterative development phases with deployment in operation for validation sessions.

  20. Highly Manufacturable Deep (Sub-Millimeter) Etching Enabled High Aspect Ratio Complex Geometry Lego-Like Silicon Electronics

    KAUST Repository

    Ghoneim, Mohamed T.; Hussain, Muhammad Mustafa

    2017-01-01

    A highly manufacturable deep reactive ion etching based process involving a hybrid soft/hard mask process technology shows high aspect ratio complex geometry Lego-like silicon electronics formation enabling free-form (physically flexible

  1. Identification of highly susceptible individuals in complex networks

    Science.gov (United States)

    Tang, Shaoting; Teng, Xian; Pei, Sen; Yan, Shu; Zheng, Zhiming

    2015-08-01

    Identifying highly susceptible individuals in spreading processes is of great significance in controlling outbreaks. In this paper, we explore the susceptibility of people in susceptible-infectious-recovered (SIR) and rumor spreading dynamics. We first study the impact of community structure on people's susceptibility. Although the community structure can reduce the number of infected people for same infection rate, it will not significantly affect nodes' susceptibility. We find the susceptibility of individuals is sensitive to the choice of spreading dynamics. For SIR spreading, since the susceptibility is highly correlated to nodes' influence, the topological indicator k-shell can better identify highly susceptible individuals, outperforming degree, betweenness centrality and PageRank. In contrast, in rumor spreading model, where nodes' susceptibility and influence have no clear correlation, degree performs the best among considered topological measures. Our finding highlights the significance of both topological features and spreading mechanisms in identifying highly susceptible population.

  2. MYCOBACTERIUM COMPLEX IDENTIFICATION BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY

    Directory of Open Access Journals (Sweden)

    S.A HAWAII

    2001-12-01

    Full Text Available Introduction: There are different ways for identification of Mycobacteria. One of the most sensitive method is HPLC of phenacyl esters of mycolic acids of Mycobacteria for rapid identification of them after their primary cultures. This study uses HPLC for rapid identification and dissociation of Mycobacterium tuberculosis complex. Methods: In this study we use HPLC patterns of mycolic acids for identification three important species of mycobacteria (M. tuberculosis, M. bovis, M. bovis BCG from other mycobacterial species. All the strains were obtained from Tuberculosis and Pulmonary Diseases Research Center. HPLC conditions was as follows: HPLC: Model 1200 Cecil, Column: URP C-18 25X4.6 mm, Detector: U.V variable wave length at 254 nm, Elution: Gradient of methanol/chloroform. Flow rate: 2.5 ml/min. Results: HPLC leads to obtaining chromatograms which on its X-axis retention times (of different peaks which exist in the sample and on its Y-axis U.V absorbance (of these peaks were drown. These chromatograms in M. bovis and M. tuberculosis samples are similar with each other but differs from BCG ones. Discussion: On the basis of different retention times and numbers of the peaks which present in each chromatogram, we can differentiate between M. bovis, M. tuberculosis and BCG from other Mycobacteria. Also, with this method we can identify BCG from M. bovis and M. tuberculosis (because BCG has 9 and M. bovis and M. tuberculosis has 7 characteristic peaks in their chromatograms.

  3. Sampling Transition Pathways in Highly Correlated Complex Systems

    Energy Technology Data Exchange (ETDEWEB)

    Chandler, David

    2004-10-20

    This research grant supported my group's efforts to apply and extend the method of transition path sampling that we invented during the late 1990s. This methodology is based upon a statistical mechanics of trajectory space. Traditional statistical mechanics focuses on state space, and with it, one can use Monte Carlo methods to facilitate importance sampling of states. With our formulation of a statistical mechanics of trajectory space, we have succeeded at creating algorithms by which importance sampling can be done for dynamical processes. In particular, we are able to study rare but important events without prior knowledge of transition states or mechanisms. In perhaps the most impressive application of transition path sampling, my group combined forces with Michele Parrinello and his coworkers to unravel the dynamics of auto ionization of water [5]. This dynamics is the fundamental kinetic step of pH. Other applications concern nature of dynamics far from equilibrium [1, 7], nucleation processes [2], cluster isomerization, melting and dissociation [3, 6], and molecular motors [10]. Research groups throughout the world are adopting transition path sampling. In part this has been the result of our efforts to provide pedagogical presentations of the technique [4, 8, 9], as well as providing new procedures for interpreting trajectories of complex systems [11].

  4. Supercomputers and the mathematical modeling of high complexity problems

    International Nuclear Information System (INIS)

    Belotserkovskii, Oleg M

    2010-01-01

    This paper is a review of many works carried out by members of our scientific school in past years. The general principles of constructing numerical algorithms for high-performance computers are described. Several techniques are highlighted and these are based on the method of splitting with respect to physical processes and are widely used in computing nonlinear multidimensional processes in fluid dynamics, in studies of turbulence and hydrodynamic instabilities and in medicine and other natural sciences. The advances and developments related to the new generation of high-performance supercomputing in Russia are presented.

  5. High-speed instrumentation complex for car crash testing

    Science.gov (United States)

    Baranov, S. V.; Gorin, I. M.; Drozhbin, Yu. A.; Kuznetsov, A. A.; Ponomaryov, A. M.; Semyonov, V. B.; Udalov, V. V.

    1993-01-01

    One of the most important car checking problems consists in safety testing which includes trials for different types of collision, e.g., frontal and lateral. This allows us to study deformations of the automobile and its parts during the impact. To obtain reliable data on overloading, acceleration, deformation, force load on the car's body as well as on the anthropomorphic dummies inside it, use is made of rather a great number of different techniques. Highly informative among them is high-speed cine recording which allows us to register variations that occur during a fraction of a second, and then to reproduce with variable rate the frame images obtained. This makes it possible to study the impact parameters variations much more accurately.

  6. 42 CFR 493.1453 - Condition: Laboratories performing high complexity testing; clinical consultant.

    Science.gov (United States)

    2010-10-01

    ... Condition: Laboratories performing high complexity testing; clinical consultant. The laboratory must have a... 42 Public Health 5 2010-10-01 2010-10-01 false Condition: Laboratories performing high complexity testing; clinical consultant. 493.1453 Section 493.1453 Public Health CENTERS FOR MEDICARE & MEDICAID...

  7. Sampling from complex networks with high community structures.

    Science.gov (United States)

    Salehi, Mostafa; Rabiee, Hamid R; Rajabi, Arezo

    2012-06-01

    In this paper, we propose a novel link-tracing sampling algorithm, based on the concepts from PageRank vectors, to sample from networks with high community structures. Our method has two phases; (1) Sampling the closest nodes to the initial nodes by approximating personalized PageRank vectors and (2) Jumping to a new community by using PageRank vectors and unknown neighbors. Empirical studies on several synthetic and real-world networks show that the proposed method improves the performance of network sampling compared to the popular link-based sampling methods in terms of accuracy and visited communities.

  8. High intensity proton operation at the Brookhaven AGS accelerator complex

    International Nuclear Information System (INIS)

    Ahrens, L.A.; Blaskiewicz, M.; Bleser, E.; Brennan, J.M.; Gardner, C.; Glenn, J.W.; Onillon, E.; Reece, R.K.; Roser, T.; Soukas, A.

    1994-01-01

    With the completion of the AGS rf upgrade, and the implementation of a transition open-quotes jumpclose quotes, all of accelerator systems were in place in 1994 to allow acceleration of the proton intensity available from the AGS Booster injector to AGS extraction energy and delivery to the high energy users. Beam commissioning results with these new systems are presented. Progress in identifying and overcoming other obstacles to higher intensity are given. These include a careful exploration of the stopband strengths present on the AGS injection magnetic porch, and implementation of the AGS single bunch transverse dampers throughout the acceleration cycle

  9. Complex pulsing schemes for high frame rate imaging

    DEFF Research Database (Denmark)

    Misaridis, Thanassis; Fink, Mathias; Jensen, Jørgen Arendt

    2002-01-01

    up to a pulse train. The acoustically generated high time-bandwidth (TB) product waveforms can be compressed by using a filter bank of matched filters one for every beam direction. Matched filtering compresses the pulse train to a single pulse at the scatterer position plus a number of spike axial...... with linear frequency modulation along the transducer elements, that cover the 70% fractional bandwidth of the 7 MHz transducer. The resulted images (after beamforming and matched filtering) show an axial resolution at the same order as in conventional pulse excitation and axial sidelobes down to -45 d...

  10. Purification of Ovine Respiratory Complex I Results in a Highly Active and Stable Preparation.

    Science.gov (United States)

    Letts, James A; Degliesposti, Gianluca; Fiedorczuk, Karol; Skehel, Mark; Sazanov, Leonid A

    2016-11-18

    NADH-ubiquinone oxidoreductase (complex I) is the largest (∼1 MDa) and the least characterized complex of the mitochondrial electron transport chain. Because of the ease of sample availability, previous work has focused almost exclusively on bovine complex I. However, only medium resolution structural analyses of this complex have been reported. Working with other mammalian complex I homologues is a potential approach for overcoming these limitations. Due to the inherent difficulty of expressing large membrane protein complexes, screening of complex I homologues is limited to large mammals reared for human consumption. The high sequence identity among these available sources may preclude the benefits of screening. Here, we report the characterization of complex I purified from Ovis aries (ovine) heart mitochondria. All 44 unique subunits of the intact complex were identified by mass spectrometry. We identified differences in the subunit composition of subcomplexes of ovine complex I as compared with bovine, suggesting differential stability of inter-subunit interactions within the complex. Furthermore, the 42-kDa subunit, which is easily lost from the bovine enzyme, remains tightly bound to ovine complex I. Additionally, we developed a novel purification protocol for highly active and stable mitochondrial complex I using the branched-chain detergent lauryl maltose neopentyl glycol. Our data demonstrate that, although closely related, significant differences exist between the biochemical properties of complex I prepared from ovine and bovine mitochondria and that ovine complex I represents a suitable alternative target for further structural studies. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  11. Asilomar conference on managing complexity in high energy physics: A summary and renaming of the conference

    International Nuclear Information System (INIS)

    Nash, T.

    1987-02-01

    The complex aspects of high energy physics work are briefly described, and approaches to managing them are discussed. Management of software and data are covered. For managing complexity in experimental physics, the choice of building or buying processor systems is addressed and the issues of compatibility and standardization are discussed

  12. The Effects of Visual Complexity for Japanese Kanji Processing with High and Low Frequencies

    Science.gov (United States)

    Tamaoka, Katsuo; Kiyama, Sachiko

    2013-01-01

    The present study investigated the effects of visual complexity for kanji processing by selecting target kanji from different stroke ranges of visually simple (2-6 strokes), medium (8-12 strokes), and complex (14-20 strokes) kanji with high and low frequencies. A kanji lexical decision task in Experiment 1 and a kanji naming task in Experiment 2…

  13. Palladium(0) NHC complexes: a new avenue to highly efficient phosphorescence.

    Science.gov (United States)

    Henwood, Adam F; Lesieur, Mathieu; Bansal, Ashu K; Lemaur, Vincent; Beljonne, David; Thompson, David G; Graham, Duncan; Slawin, Alexandra M Z; Samuel, Ifor D W; Cazin, Catherine S J; Zysman-Colman, Eli

    2015-05-01

    We report the first examples of highly luminescent di-coordinated Pd(0) complexes. Five complexes of the form [Pd(L)(L')] were synthesized, where L = IPr, SIPr or IPr* NHC ligands and L' = PCy 3 , or IPr and SIPr NHC ligands. The photophysical properties of these complexes were determined in degassed toluene solution and in the solid state and contrasted to the poorly luminescent reference complex [Pd(IPr)(PPh 3 )]. Organic light-emitting diodes were successfully fabricated but attained external quantum efficiencies of between 0.3 and 0.7%.

  14. Enhancement of Hydrodynamic Processes in Oil Pipelines Considering Rheologically Complex High-Viscosity Oils

    Science.gov (United States)

    Konakhina, I. A.; Khusnutdinova, E. M.; Khamidullina, G. R.; Khamidullina, A. F.

    2016-06-01

    This paper describes a mathematical model of flow-related hydrodynamic processes for rheologically complex high-viscosity bitumen oil and oil-water suspensions and presents methods to improve the design and performance of oil pipelines.

  15. Disassembled DJ-1 high molecular weight complex in cortex mitochondria from Parkinson's disease patients

    Directory of Open Access Journals (Sweden)

    Adler Charles

    2009-07-01

    Full Text Available Abstract Correction to Nural H, He P, Beach T, Sue L, Xia W, Shen Y. Disassembled DJ-1 high molecular weight complex in cortex mitochondria from Parkinson's disease patients Molecular Neurodegeneration 2009, 4:23.

  16. Low complexity iterative MLSE equalization in highly spread underwater acoustic channels

    CSIR Research Space (South Africa)

    Myburgh, HC

    2009-05-01

    Full Text Available methods. The superior computational complexity of the proposed equalizer is due to the high parallelism and high level of neuron interconnection of its foundational neural network structure. I. INTRODUCTION In recent years, much attention has been... are practically infeasible, as their computational complexities are exponentially related to the number of interfering symbols, rendering them computationally infeasible for UAC equaliza- tion. Attention has therefore been drawn to developing compu- tationally...

  17. Complexity control algorithm based on adaptive mode selection for interframe coding in high efficiency video coding

    Science.gov (United States)

    Chen, Gang; Yang, Bing; Zhang, Xiaoyun; Gao, Zhiyong

    2017-07-01

    The latest high efficiency video coding (HEVC) standard significantly increases the encoding complexity for improving its coding efficiency. Due to the limited computational capability of handheld devices, complexity constrained video coding has drawn great attention in recent years. A complexity control algorithm based on adaptive mode selection is proposed for interframe coding in HEVC. Considering the direct proportionality between encoding time and computational complexity, the computational complexity is measured in terms of encoding time. First, complexity is mapped to a target in terms of prediction modes. Then, an adaptive mode selection algorithm is proposed for the mode decision process. Specifically, the optimal mode combination scheme that is chosen through offline statistics is developed at low complexity. If the complexity budget has not been used up, an adaptive mode sorting method is employed to further improve coding efficiency. The experimental results show that the proposed algorithm achieves a very large complexity control range (as low as 10%) for the HEVC encoder while maintaining good rate-distortion performance. For the lowdelayP condition, compared with the direct resource allocation method and the state-of-the-art method, an average gain of 0.63 and 0.17 dB in BDPSNR is observed for 18 sequences when the target complexity is around 40%.

  18. Highly Manufacturable Deep (Sub-Millimeter) Etching Enabled High Aspect Ratio Complex Geometry Lego-Like Silicon Electronics.

    Science.gov (United States)

    Ghoneim, Mohamed Tarek; Hussain, Muhammad Mustafa

    2017-04-01

    A highly manufacturable deep reactive ion etching based process involving a hybrid soft/hard mask process technology shows high aspect ratio complex geometry Lego-like silicon electronics formation enabling free-form (physically flexible, stretchable, and reconfigurable) electronic systems. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Highly Manufacturable Deep (Sub-Millimeter) Etching Enabled High Aspect Ratio Complex Geometry Lego-Like Silicon Electronics

    KAUST Repository

    Ghoneim, Mohamed T.

    2017-02-01

    A highly manufacturable deep reactive ion etching based process involving a hybrid soft/hard mask process technology shows high aspect ratio complex geometry Lego-like silicon electronics formation enabling free-form (physically flexible, stretchable, and reconfigurable) electronic systems.

  20. Triangle network motifs predict complexes by complementing high-error interactomes with structural information.

    Science.gov (United States)

    Andreopoulos, Bill; Winter, Christof; Labudde, Dirk; Schroeder, Michael

    2009-06-27

    A lot of high-throughput studies produce protein-protein interaction networks (PPINs) with many errors and missing information. Even for genome-wide approaches, there is often a low overlap between PPINs produced by different studies. Second-level neighbors separated by two protein-protein interactions (PPIs) were previously used for predicting protein function and finding complexes in high-error PPINs. We retrieve second level neighbors in PPINs, and complement these with structural domain-domain interactions (SDDIs) representing binding evidence on proteins, forming PPI-SDDI-PPI triangles. We find low overlap between PPINs, SDDIs and known complexes, all well below 10%. We evaluate the overlap of PPI-SDDI-PPI triangles with known complexes from Munich Information center for Protein Sequences (MIPS). PPI-SDDI-PPI triangles have ~20 times higher overlap with MIPS complexes than using second-level neighbors in PPINs without SDDIs. The biological interpretation for triangles is that a SDDI causes two proteins to be observed with common interaction partners in high-throughput experiments. The relatively few SDDIs overlapping with PPINs are part of highly connected SDDI components, and are more likely to be detected in experimental studies. We demonstrate the utility of PPI-SDDI-PPI triangles by reconstructing myosin-actin processes in the nucleus, cytoplasm, and cytoskeleton, which were not obvious in the original PPIN. Using other complementary datatypes in place of SDDIs to form triangles, such as PubMed co-occurrences or threading information, results in a similar ability to find protein complexes. Given high-error PPINs with missing information, triangles of mixed datatypes are a promising direction for finding protein complexes. Integrating PPINs with SDDIs improves finding complexes. Structural SDDIs partially explain the high functional similarity of second-level neighbors in PPINs. We estimate that relatively little structural information would be sufficient

  1. Triangle network motifs predict complexes by complementing high-error interactomes with structural information

    Directory of Open Access Journals (Sweden)

    Labudde Dirk

    2009-06-01

    Full Text Available Abstract Background A lot of high-throughput studies produce protein-protein interaction networks (PPINs with many errors and missing information. Even for genome-wide approaches, there is often a low overlap between PPINs produced by different studies. Second-level neighbors separated by two protein-protein interactions (PPIs were previously used for predicting protein function and finding complexes in high-error PPINs. We retrieve second level neighbors in PPINs, and complement these with structural domain-domain interactions (SDDIs representing binding evidence on proteins, forming PPI-SDDI-PPI triangles. Results We find low overlap between PPINs, SDDIs and known complexes, all well below 10%. We evaluate the overlap of PPI-SDDI-PPI triangles with known complexes from Munich Information center for Protein Sequences (MIPS. PPI-SDDI-PPI triangles have ~20 times higher overlap with MIPS complexes than using second-level neighbors in PPINs without SDDIs. The biological interpretation for triangles is that a SDDI causes two proteins to be observed with common interaction partners in high-throughput experiments. The relatively few SDDIs overlapping with PPINs are part of highly connected SDDI components, and are more likely to be detected in experimental studies. We demonstrate the utility of PPI-SDDI-PPI triangles by reconstructing myosin-actin processes in the nucleus, cytoplasm, and cytoskeleton, which were not obvious in the original PPIN. Using other complementary datatypes in place of SDDIs to form triangles, such as PubMed co-occurrences or threading information, results in a similar ability to find protein complexes. Conclusion Given high-error PPINs with missing information, triangles of mixed datatypes are a promising direction for finding protein complexes. Integrating PPINs with SDDIs improves finding complexes. Structural SDDIs partially explain the high functional similarity of second-level neighbors in PPINs. We estimate that

  2. Examination of High Resolution Channel Topography to Determine Suitable Metrics to Characterize Morphological Complexity

    Science.gov (United States)

    Stewart, R. L.; Gaeuman, D.

    2015-12-01

    Complex bed morphology is deemed necessary to restore salmonid habitats, yet quantifiable metrics that capture channel complexity have remained elusive. This work utilizes high resolution topographic data from the 40 miles of the Trinity River of northern California to determine a suitable metric for characterizing morphological complexity at the reach scale. The study area is segregated into reaches defined by individual riffle pool units or aggregates of several consecutive units. Potential measures of complexity include rugosity and depth statistics such as standard deviation and interquartile range, yet previous research has shown these metrics are scale dependent and subject to sampling density-based bias. The effect of sampling density on the present analysis has been reduced by underrepresenting the high resolution topographic data as a 3'x 3' raster so that all areas are equally sampled. Standard rugosity, defined as the three-dimensional surface area divided by projected area, has been shown to be dependent on average depth. We therefore define R*, a empirically depth-corrected rugosity metric in which rugosity is corrected using an empirical relationship based on linear regression between the standard rugosity metric and average depth. By removing the dependence on depth using a regression based on the study reach, R* provides a measure reach scale complexity relative to the entire study area. The interquartile range of depths is also depth-dependent, so we defined a non-dimensional metric (IQR*) as the interquartile range dividing by median depth. These are calculated to develop rankings of channel complexity which, are found to closely agree with perceived channel complexity observed in the field. Current efforts combine these measures of morphological complexity with salmonid habitat suitability to evaluate the effects of channel complexity on the various life stages of salmonids. Future work will investigate the downstream sequencing of channel

  3. Properties of lotus seed starch-glycerin monostearin complexes formed by high pressure homogenization.

    Science.gov (United States)

    Chen, Bingyan; Zeng, Shaoxiao; Zeng, Hongliang; Guo, Zebin; Zhang, Yi; Zheng, Baodong

    2017-07-01

    Starch-lipid complexes were prepared using lotus seed starch (LS) and glycerin monostearate (GMS) via a high pressure homogenization (HPH) process, and the effect of HPH on the physicochemical properties of LS-GMS complexes was investigated. The results of Fourier transform infrared spectroscopy and complex index analysis showed that LS-GMS complexes were formed at 40MPa by HPH and the complex index increased with the increase of homogenization pressure. Scanning electron microscopy displayed LS-GMS complexes present more nest-shape structure with increasing homogenization pressure. X-ray diffraction and differential scanning calorimetry results revealed that V-type crystalline polymorph was formed between LS and GMS, with higher homogenization pressure producing an increasingly stable complex. LS-GMS complex inhibited starch granules swelling, solubility and pasting development, which further reduced peak and breakdown viscosity. During storage, LS-GMS complexes prepared by 70-100MPa had higher Avrami exponent values and lower recrystallization rates compared with native starch, which suggested a lower retrogradation trendency. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Photolabile ruthenium complexes to cage and release a highly cytotoxic anticancer agent.

    Science.gov (United States)

    Wei, Jianhua; Renfrew, Anna K

    2018-02-01

    CHS-828 (N-(6-(4-chlorophenoxy)hexyl)-N'-cyano-N″-4-pyridyl guanidine) is an anticancer agent with low bioavailability and high systemic toxicity. Here we present an approach to improve the therapeutic profile of the drug using photolabile ruthenium complexes to generate light-activated prodrugs of CHS-828. Both prodrug complexes are stable in the dark but release CHS-828 when irradiated with visible light. The complexes are water-soluble and accumulate in tumour cells in very high concentrations, predominantly in the mitochondria. Both prodrug complexes are significantly less cyototoxic than free CHS-828 in the dark but their toxicity increases up to 10-fold in combination with visible light. The cellular responses to light treatment are consistent with release of the cytotoxic CHS-828 ligand. Copyright © 2017 Elsevier Inc. All rights reserved.

  5. Formation of inclusion complexes between high amylose starch and octadecyl ferulate via steam jet cooking.

    Science.gov (United States)

    Kenar, James A; Compton, David L; Little, Jeanette A; Peterson, Steve C

    2016-04-20

    Amylose-ligand inclusion complexes represent an interesting approach to deliver bioactive molecules. However, ferulic acid has been shown not to form single helical inclusion complexes with amylose from high amylose maize starch. To overcome this problem a lipophilic ferulic acid ester, octadecyl ferulate, was prepared and complexed with amylose via excess steam jet cooking. Jet-cooking octadecyl ferulate and high amylose starch gave an amylose-octadecyl ferulate inclusion complex in 51.0% isolated yield. X-ray diffraction (XRD) and differential scanning calorimetry (DSC) confirmed that a 61 V-type inclusion complex was formed. Amylose and extraction assays showed the complex to be enriched in amylose (91.9±4.3%) and contain 70.6±5.6mgg(-1) octadecyl ferulate, although, minor hydrolysis (∼4%) of the octadecyl ferulate was observed under the excess steam jet-cooking conditions utilized. This study demonstrates that steam jet cooking is a rapid and scalable process in which to prepare amylose-octadecyl ferulate inclusion complexes. Published by Elsevier Ltd.

  6. Validation of Product Properties Considering a High Variety of Complex Products

    OpenAIRE

    Kortler, S.;Kohn, A.;Lindemann, U.

    2017-01-01

    Validation processes are becoming more and more complex. Due to rising technical capabilities and a wide variety of customer requirements, OEMs are increasing their product variety in order to increase profits. According to the various characteristics of subcontracted components involved in complex products, the product variety can be very high. The impacts of the involved subcontracted components on the composed product variety during the product’s application are difficult to predict. This ...

  7. Synthesis of high-complexity rhythmic signals for closed-loop electrical neuromodulation.

    Science.gov (United States)

    Zalay, Osbert C; Bardakjian, Berj L

    2013-06-01

    We propose an approach to synthesizing high-complexity rhythmic signals for closed-loop electrical neuromodulation using cognitive rhythm generator (CRG) networks, wherein the CRG is a hybrid oscillator comprised of (1) a bank of neuronal modes, (2) a ring device (clock), and (3) a static output nonlinearity (mapper). Networks of coupled CRGs have been previously implemented to simulate the electrical activity of biological neural networks, including in silico models of epilepsy, producing outputs of similar waveform and complexity to the biological system. This has enabled CRG network models to be used as platforms for testing seizure control strategies. Presently, we take the application one step further, envisioning therapeutic CRG networks as rhythmic signal generators creating neuromimetic signals for stimulation purposes, motivated by recent research indicating that stimulus complexity and waveform characteristics influence neuromodulation efficacy. To demonstrate this concept, an epileptiform CRG network generating spontaneous seizure-like events (SLEs) was coupled to a therapeutic CRG network, forming a closed-loop neuromodulation system. SLEs are associated with low-complexity dynamics and high phase coherence in the network. The tuned therapeutic network generated a high-complexity, multi-banded rhythmic stimulation signal with prominent theta and gamma-frequency power that suppressed SLEs and increased dynamic complexity in the epileptiform network, as measured by a relative increase in the maximum Lyapunov exponent and decrease in phase coherence. CRG-based neuromodulation outperformed both low and high-frequency periodic pulse stimulation, suggesting that neuromodulation using complex, biomimetic signals may provide an improvement over conventional electrical stimulation techniques for treating neurological disorders such as epilepsy. Copyright © 2013 Elsevier Ltd. All rights reserved.

  8. Game-Theoretic Rate-Distortion-Complexity Optimization of High Efficiency Video Coding

    DEFF Research Database (Denmark)

    Ukhanova, Ann; Milani, Simone; Forchhammer, Søren

    2013-01-01

    profiles in order to tailor the computational load to the different hardware and power-supply resources of devices. In this work, we focus on optimizing the quantization parameter and partition depth in HEVC via a game-theoretic approach. The proposed rate control strategy alone provides 0.2 dB improvement......This paper presents an algorithm for rate-distortioncomplexity optimization for the emerging High Efficiency Video Coding (HEVC) standard, whose high computational requirements urge the need for low-complexity optimization algorithms. Optimization approaches need to specify different complexity...

  9. High Grade Glioma Mimicking Voltage Gated Potassium Channel Complex Associated Antibody Limbic Encephalitis

    Directory of Open Access Journals (Sweden)

    Dilan Athauda

    2014-01-01

    Full Text Available Though raised titres of voltage gated potassium channel (VGKC complex antibodies have been occasionally associated with extracranial tumours, mainly presenting as Morvan's Syndrome or neuromyotonia, they have not yet been reported to be associated with an intracranial malignancy. This is especially important as misdiagnosis of these conditions and delay of the appropriate treatment can have important prognostic implications. We describe a patient with a high grade glioma presenting with clinical, radiological, and serological features consistent with the diagnosis of VGKC antibody associated limbic encephalitis (LE. This is the first association between a primary brain tumour and high titre of VGKC complex antibodies. Clinicoradiological progression despite effective immunosuppressive treatment should prompt clinicians to look for alternative diagnoses. Further studies to elucidate a possible association between VGKC complex and other surface antigen antibodies with primary brain tumours should be carried out.

  10. High grade glioma mimicking voltage gated potassium channel complex associated antibody limbic encephalitis.

    Science.gov (United States)

    Athauda, Dilan; Delamont, R S; Pablo-Fernandez, E De

    2014-01-01

    Though raised titres of voltage gated potassium channel (VGKC) complex antibodies have been occasionally associated with extracranial tumours, mainly presenting as Morvan's Syndrome or neuromyotonia, they have not yet been reported to be associated with an intracranial malignancy. This is especially important as misdiagnosis of these conditions and delay of the appropriate treatment can have important prognostic implications. We describe a patient with a high grade glioma presenting with clinical, radiological, and serological features consistent with the diagnosis of VGKC antibody associated limbic encephalitis (LE). This is the first association between a primary brain tumour and high titre of VGKC complex antibodies. Clinicoradiological progression despite effective immunosuppressive treatment should prompt clinicians to look for alternative diagnoses. Further studies to elucidate a possible association between VGKC complex and other surface antigen antibodies with primary brain tumours should be carried out.

  11. Complex C: A Low-Metallicity, High-Velocity Cloud Plunging into the Milky Way

    Science.gov (United States)

    Tripp, Todd M.; Wakker, Bart P.; Jenkins, Edward B.; Bowers, C. W.; Danks, A. C.; Green, R. F.; Heap, S. R.; Joseph, C. L.; Kaiser, M. E.; Linsky, J. L.; Woodgate, B. E.

    2003-06-01

    We present evidence that high-velocity cloud (HVC) complex C is a low-metallicity gas cloud that is plunging toward the disk and beginning to interact with the ambient gas that surrounds the Milky Way. This evidence begins with a new high-resolution (7 km s-1 FWHM) echelle spectrum of 3C 351 obtained with the Space Telescope Imaging Spectrograph (STIS). 3C 351 lies behind the low-latitude edge of complex C, and the new spectrum provides accurate measurements of O I, Si II, Al II, Fe II, and Si III absorption lines at the velocity of complex C; N I, S II, Si IV, and C IV are not detected at 3 σ significance in complex C proper. However, Si IV and C IV as well as O I, Al II, Si II and Si III absorption lines are clearly present at somewhat higher velocities associated with a ``high-velocity ridge'' (HVR) of 21 cm emission. This high-velocity ridge has a similar morphology to and is roughly centered on complex C proper. The similarities of the absorption-line ratios in the HVR and complex C suggest that these structures are intimately related. In complex C proper we find [O/H]=-0.76+0.23-0.21. For other species the measured column densities indicate that ionization corrections are important. We use collisional and photoionization models to derive ionization corrections; in both models we find that the overall metallicity Z=0.1-0.3 Zsolar in complex C proper, but nitrogen must be underabundant. The iron abundance indicates that the complex C contains very little dust. The size and density implied by the ionization models indicate that the absorbing gas is not gravitationally confined. The gas could be pressure confined by an external medium, but alternatively we may be viewing the leading edge of the HVC, which is ablating and dissipating as it plunges into the Milky Way. O VI column densities observed with the Far Ultraviolet Spectroscopic Explorer (FUSE) toward nine QSOs/AGNs behind complex C support this conclusion: N(O VI) is highest near 3C 351, and the O VI/H I

  12. Inverse Processing of Undefined Complex Shape Parts from Structural High Alloyed Tool Steel

    Czech Academy of Sciences Publication Activity Database

    Monková, K.; Monka, P.; Hloch, Sergej

    -, č. 1 (2014), s. 1-11 ISSN 1687-8132 Institutional support: RVO:68145535 Keywords : 3D digitization * complex shape parts * high alloyed tool steel Subject RIV: JQ - Machines ; Tools Impact factor: 0.575, year: 2014 http://www.hindawi.com/journals/ame/aip/478748/

  13. How Stimulus and Task Complexity Affect Monitoring in High-Functioning Adults with Autism Spectrum Disorder

    NARCIS (Netherlands)

    Koolen, S.; Vissers, C.T.W.M.; Egger, J.I.M.; Verhoeven, L.T.W.

    2014-01-01

    The present study examined whether individuals with autism spectrum disorder (ASD) are able to update and monitor working memory representations of visual input, and whether performance is influenced by stimulus and task complexity. 15 high-functioning adults with ASD and 15 controls were asked to

  14. 42 CFR 493.1467 - Condition: Laboratories performing high complexity testing; cytology general supervisor.

    Science.gov (United States)

    2010-10-01

    ... testing; cytology general supervisor. 493.1467 Section 493.1467 Public Health CENTERS FOR MEDICARE....1467 Condition: Laboratories performing high complexity testing; cytology general supervisor. For the subspecialty of cytology, the laboratory must have a general supervisor who meets the qualification...

  15. DISTRIBUTION AND ORIGIN OF HIGH-VELOCITY CLOUDS .3. CLOUDS, COMPLEXES AND POPULATIONS

    NARCIS (Netherlands)

    WAKKER, BP; VANWOERDEN, H

    1991-01-01

    We present the first complete catalogue of high-velocity clouds (HVCs), followed by a classification of these clouds into complexes and populations. The catalogue will form the basis for comparisons with theoretical models. The study described here yields the following conclusions: (1) Differential

  16. A design control structure for architectural firms in a highly complex and uncertain situation

    NARCIS (Netherlands)

    Schijlen, J.T.H.A.M.; Otter, den A.F.H.J.; Pels, H.J.

    2011-01-01

    A large architectural firm in a highly complex and uncertain production situation asked to improve its existing ?production control? system for design projects. To that account a research and design project of nine months at the spot was defined. The production control in the organization was based

  17. Complex workplace radiation fields at European high-energy accelerators and thermonuclear fusion facilities

    CERN Document Server

    Bilski, P; D'Errico, F; Esposito, A; Fehrenbacher, G; Fernàndez, F; Fuchs, A; Golnik, N; Lacoste, V; Leuschner, A; Sandri, S; Silari, M; Spurny, F; Wiegel, B; Wright, P

    2006-01-01

    This report outlines the research needs and research activities within Europe to develop new and improved methods and techniques for the characterization of complex radiation fields at workplaces around high-energy accelerators and the next generation of thermonuclear fusion facilities under the auspices of the COordinated Network for RAdiation Dosimetry (CONRAD) project funded by the European Commission.

  18. The Complex and Unequal Impact of High Stakes Accountability on Untested Social Studies

    Science.gov (United States)

    Pace, Judith L.

    2011-01-01

    This article contributes to research on the impact of high stakes accountability on social studies teaching where it is "not" tested by the state, and addresses the question of what is happening in middle and higher performing versus struggling schools (Wills, 2007). The author presents complex findings from a qualitative study in five…

  19. J.F. Schouten revisited : pitch of complex tones having many high-order harmonics

    NARCIS (Netherlands)

    Smurzynski, J.; Houtsma, A.J.M.

    1988-01-01

    Four experiments are reported which deal with pitch perception of harmonic complex tones containing many high-order, aurally unresolvable partials. Melodic-interval identilication performance ill the case of sounds with increasing harmonic order remains significantly above chalice level, even if the

  20. Synthesis and spectroscopic behavior of highly luminescent Eu 3+-dibenzoylmethanate (DBM) complexes with sulfoxide ligands

    Science.gov (United States)

    Niyama, E.; Brito, H. F.; Cremona, M.; Teotonio, E. E. S.; Reyes, R.; Brito, G. E. S.; Felinto, M. C. F. C.

    2005-09-01

    In this paper the synthesis, characterization and photoluminescent behavior of the [RE(DBM) 3L 2] complexes (RE = Gd and Eu) with a variety of sulfoxide ligands; L = benzyl sulfoxide (DBSO), methyl sulfoxide (DMSO), phenyl sulfoxide (DPSO) and p-tolyl sulfoxide (PTSO) have been investigated in solid state. The emission spectra of the Eu 3+-β-diketonate complexes show characteristics narrow bands arising from the 5D 0 → 7F J ( J = 0-4) transitions, which are split according to the selection rule for C n, C nv or C s site symmetries. The experimental Judd-Ofelt intensity parameters ( Ω2 and Ω4), radiative ( Arad) and non-radiative ( Anrad) decay rates, and R02 for the europium complexes have been determined and compared. The highest value of Ω2 (61.9 × 10 -20 cm 2) was obtained to the complex with PTSO ligand, indicating that Eu 3+ ion is in the highly polarizable chemical environment. The higher values of the experimental quantum yield ( q) and emission quantum efficiency of the emitter 5D 0 level ( η) for the Eu-complexes with DMSO, DBSO and PTSO sulfoxides suggest that these complexes are promising Light Conversion Molecular Devices (LCMDs). The lower value of quantum yield ( q = 1%), for the hydrated complex [Eu(DBM) 3(H 2O)], indicates that the luminescence quenching occurs via multiphonon relaxation by coupling with the OH-oscillators from water molecule coordinated to rare earth ion. The pure red emission of the Eu-complexes has been confirmed by ( x, y) color coordinates.

  1. Synthesis and spectroscopic behavior of highly luminescent trinuclear europium complexes with tris-β-diketone ligand

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Dunjia, E-mail: dunjiawang@163.com; Pi, Yan; Liu, Hua; Wei, Xianhong; Hu, Yanjun; Zheng, Jing

    2014-11-15

    Highlights: • Synthesis of the tris-β-diketone ligand and its trinuclear europium complexes. • Photoluminescence behavior of trinuclear europium complexes. • Analysis of the Judd–Ofelt intensity parameters (Ω{sub t}), lifetime (τ) and quantum yield (η). - Abstract: A new tris-β-diketone ligand, 2-[4,6-bis-(1-benzoyl-2-oxo-2-phenyl-ethyl)-[1,3,5]triazin-2-yl] -1,3-diphenyl-propane-1,3-dione (H{sub 3}L), and its trinuclear europium complexes, Eu{sub 3}(DBM){sub 6}L (C1), Eu{sub 3}(DBM){sub 6}(Bipy){sub 3}L (C2) and Eu{sub 3}(DBM){sub 6}(Phen){sub 3}L (C3) were synthesized and their spectroscopic behaviors were studied by FT-IR, {sup 1}H NMR, UV–vis and photoluminescence spectroscopic techniques. These europium complexes exhibited the characteristic emission bands that arise from the {sup 5}D{sub 0} → {sup 7}F{sub J} (J = 0–4) transitions of the europium ion in solid state. The Ω{sub 2} and Ω{sub 4} intensity parameters, lifetime (τ) and luminescence quantum yield (η) were calculated according to the emission spectra and luminescence decay curves in solid state. The results indicated that these trinuclear europium complexes displayed a longer lifetime (τ) and higher luminescence quantum efficiency (η), especially complexes C2 (τ = 0.820 ms, η = 46.5%) and C3 (τ = 0.804 ms, η = 47.4%), which due to the effect of two additional europium ion lumophors and the introduction of the third ligands, Bipy or Phen in trinuclear complexes. Their Ω{sub 2} values demonstrated that the europium ion in these complexes is in a highly polarizable chemical environment.

  2. High Pressure Optical Studies of the Thallous Halides and of Charge-Transfer Complexes

    Science.gov (United States)

    Jurgensen, Charles Willard

    High pressure was used to study the insulator -to-metal transition in sulfur and the thallous halides and to study the intermolecular interactions in charge -transfer complexes. The approach to the band overlap insulator -to-metal transition was studied in three thallous halides and sulfur by optical absorption measurements of the band gap as a function of pressure. The band gap of sulfur continuously decreases with pressure up to the insulator -to-metal transition which occurs between 450 and 485 kbars. The results on the thallous halides indicate that the indirect gap decreases more rapidly than the direct gap; the closing of the indirect gap is responsible for the observed insulator -to-metal transitions. High pressure electronic and vibrational spectroscopic measurements on the solid-state complexes of HMB-TCNE were used to study the intermolecular interactions of charge -transfer complexes. The vibrational frequency shifts indicate that the degree of charge transfer increases with pressure which is independently confirmed by an increase in the molar absorptivity of the electronic charge-transfer peak. Induction and dispersion forces contribute towards a red shift of the charge-transfer peak; however, charge-transfer resonance contributes toward a blue shift and this effect is dominant for the HMB-TCNE complexes. High pressure electronic spectra were used to study the effect of intermolecular interactions on the electronic states of TCNQ and its complexes. The red shifts with pressure of the electronic spectra of TCNQ and (TCNQ)(' -) in polymer media and of crystalline TCNQ can be understood in terms of Van der Waals interactions. None of the calculations which considered intradimer distance obtained the proper behavior for either the charge-transfer of the locally excited states of the complexes. The qualitative behavior of both states can be interpreted as the effect of increased mixing of the locally excited and charge transfer states.

  3. Highly refractory Archaean peridotite cumulates: Petrology and geochemistry of the Seqi Ultramafic Complex, SW Greenland

    Directory of Open Access Journals (Sweden)

    Kristoffer Szilas

    2018-05-01

    Full Text Available This paper investigates the petrogenesis of the Seqi Ultramafic Complex, which covers a total area of approximately 0.5 km2. The ultramafic rocks are hosted by tonalitic orthogneiss of the ca. 3000 Ma Akia terrane with crosscutting granitoid sheets providing an absolute minimum age of 2978 ± 8 Ma for the Seqi Ultramafic Complex. The Seqi rocks represent a broad range of olivine-dominated plutonic rocks with varying modal amounts of chromite, orthopyroxene and amphibole, i.e. various types of dunite (s.s., peridotite (s.l., as well as chromitite. The Seqi Ultramafic Complex is characterised primarily by refractory dunite, with highly forsteritic olivine with core compositions having Mg# ranging from about 91 to 93. The overall high modal contents, as well as the specific compositions, of chromite rule out that these rocks represent a fragment of Earth's mantle. The occurrence of stratiform chromitite bands in peridotite, thin chromite layers in dunite and poikilitic orthopyroxene in peridotite instead supports the interpretation that the Seqi Ultramafic Complex represents the remnant of a fragmented layered complex or a magma conduit, which was subsequently broken up and entrained during the formation of the regional continental crust.Integrating all of the characteristics of the Seqi Ultramafic Complex points to formation of these highly refractory peridotites from an extremely magnesian (Mg# ∼ 80, near-anhydrous magma, as olivine-dominated cumulates with high modal contents of chromite. It is noted that the Seqi cumulates were derived from a mantle source by extreme degrees of partial melting (>40%. This mantle source could potentially represent the precursor for the sub-continental lithospheric mantle (SCLM in this region, which has previously been shown to be ultra-depleted. The Seqi Ultramafic Complex, as well as similar peridotite bodies in the Fiskefjord region, may thus constitute the earliest cumulates that formed during the

  4. Formation of multiple focal spots using a high NA lens with a complex spiral phase mask

    Science.gov (United States)

    Lalithambigai, K.; Anbarasan, P. M.; Rajesh, K. B.

    2014-07-01

    The formation of a transversally polarized beam by transmitting a tightly focused double-ring-shaped azimuthally polarized beam through a complex spiral phase mask and high numerical aperture lens is presented based on vector diffraction theory. The generation of transversally polarized focal spot segment splitting and multiple focal spots is illustrated numerically. Moreover, we found that a properly designed complex spiral phase mask can move the focal spots along the optical axis in the z direction. Therefore, one can achieve a focal segment of two, three or multiple completely transversely polarized focal spots, which finds applications in optical trapping and in material processing technologies.

  5. Palladium(0) NHC complexes : a new avenue to highly efficient phosphorescence

    OpenAIRE

    Henwood, Adam Francis; Lesieur, Mathieu; Bansal, Ashu Kumar; Lemaur, Vincent; Beljonne, David; Thompson, David G.; Graham, Duncan; Slawin, Alexandra Martha Zoya; Samuel, Ifor David William; Cazin, Catherine S.J.; Zysman-Colman, Eli

    2015-01-01

    The authors are grateful to the Royal Society (University Research Fellowship to CSJC and Wolfson Research Merit Award for IDWS) and to EPSRC (grant: EP1J01771X) for financial support. EZ-C thanks the University of St Andrews for funding. We report the first examples of highly luminescent di-coordinated Pd(0) complexes. Five complexes of the form [Pd(L)(L’)] were synthesized, where L = IPr, SIPr or IPr* NHC ligands and L’ = PCy3, or IPr and SIPr NHC ligands. The photophysical properties of...

  6. Avian infectious bronchitis virus in Brazil: a highly complex virus meets a highly susceptible host population

    Directory of Open Access Journals (Sweden)

    PE Brandão

    2010-06-01

    Full Text Available Infectious bronchitis (IB is a highly aggressive disease for poultry in terms of symptoms and economic losses, and the control of this disease is difficult if flocks are not protected against type-specific challenges by the Avian infectious bronchitis virus (IBV. This article summarizes data presented by the author at the Workshop on Infectious Bronchitis 2009 on IB and IBV, including future developments on the field.

  7. An efficient hybrid technique in RCS predictions of complex targets at high frequencies

    Science.gov (United States)

    Algar, María-Jesús; Lozano, Lorena; Moreno, Javier; González, Iván; Cátedra, Felipe

    2017-09-01

    Most computer codes in Radar Cross Section (RCS) prediction use Physical Optics (PO) and Physical theory of Diffraction (PTD) combined with Geometrical Optics (GO) and Geometrical Theory of Diffraction (GTD). The latter approaches are computationally cheaper and much more accurate for curved surfaces, but not applicable for the computation of the RCS of all surfaces of a complex object due to the presence of caustic problems in the analysis of concave surfaces or flat surfaces in the far field. The main contribution of this paper is the development of a hybrid method based on a new combination of two asymptotic techniques: GTD and PO, considering the advantages and avoiding the disadvantages of each of them. A very efficient and accurate method to analyze the RCS of complex structures at high frequencies is obtained with the new combination. The proposed new method has been validated comparing RCS results obtained for some simple cases using the proposed approach and RCS using the rigorous technique of Method of Moments (MoM). Some complex cases have been examined at high frequencies contrasting the results with PO. This study shows the accuracy and the efficiency of the hybrid method and its suitability for the computation of the RCS at really large and complex targets at high frequencies.

  8. Synthesis, spectroscopy, and hydrogen/deuterium exchange in high-spin iron(II) hydride complexes.

    Science.gov (United States)

    Dugan, Thomas R; Bill, Eckhard; MacLeod, K Cory; Brennessel, William W; Holland, Patrick L

    2014-03-03

    Very few hydride complexes are known in which the metals have a high-spin electronic configuration. We describe the characterization of several high-spin iron(II) hydride/deuteride isotopologues and their exchange reactions with one another and with H2/D2. Though the hydride/deuteride signal is not observable in NMR spectra, the choice of isotope has an influence on the chemical shifts of distant protons in the dimers through the paramagnetic isotope effect on chemical shift. This provides the first way to monitor the exchange of H and D in the bridging positions of these hydride complexes. The rate of exchange depends on the size of the supporting ligand, and this is consistent with the idea that H2/D2 exchange into the hydrides occurs through the dimeric complexes rather than through a transient monomer. The understanding of H/D exchange mechanisms in these high-spin iron hydride complexes may be relevant to postulated nitrogenase mechanisms.

  9. Slowly digestible properties of lotus seed starch-glycerine monostearin complexes formed by high pressure homogenization.

    Science.gov (United States)

    Chen, Bingyan; Jia, Xiangze; Miao, Song; Zeng, Shaoxiao; Guo, Zebin; Zhang, Yi; Zheng, Baodong

    2018-06-30

    Starch-lipid complexes were prepared using lotus seed starch (LS) and glycerin monostearate (GMS) via a high-pressure homogenization process, and the effect of high pressure homogenization (HPH) on the slow digestion properties of LS-GMS was investigated. The digestion profiles showed HPH treatment reduced the digestive rate of LS-GMS, and the extent of this change was dependent on homogenized pressure. Scanning electron microscopy displayed HPH treatment change the morphology of LS-GMS, with high pressure producing more compact block-shape structure to resist enzyme digestion. The results of Gel-permeation chromatography and Small-angle X-ray scattering revealed high homogenization pressure impacted molecular weight distribution and semi-crystalline region of complexes, resulting in the formation of new semi-crystalline with repeat unit distance of 16-18 nm and molecular weight distribution of 2.50-2.80 × 10 5  Da, which displayed strong enzymatic resistance. Differential scanning calorimeter results revealed new semi-crystalline lamellar may originate from type-II complexes that exhibited a high transition temperature. Copyright © 2018 Elsevier Ltd. All rights reserved.

  10. Electrochemically fabricated polypyrrole-cobalt-oxygen coordination complex as high-performance lithium-storage materials.

    Science.gov (United States)

    Guo, Bingkun; Kong, Qingyu; Zhu, Ying; Mao, Ya; Wang, Zhaoxiang; Wan, Meixiang; Chen, Liquan

    2011-12-23

    Current lithium-ion battery (LIB) technologies are all based on inorganic electrode materials, though organic materials have been used as electrodes for years. Disadvantages such as limited thermal stability and low specific capacity hinder their applications. On the other hand, the transition metal oxides that provide high lithium-storage capacity by way of electrochemical conversion reaction suffer from poor cycling stability. Here we report a novel high-performance, organic, lithium-storage material, a polypyrrole-cobalt-oxygen (PPy-Co-O) coordination complex, with high lithium-storage capacity and excellent cycling stability. Extended X-ray absorption fine structure and Raman spectroscopy and other physical and electrochemical characterizations demonstrate that this coordination complex can be electrochemically fabricated by cycling PPy-coated Co(3)O(4) between 0.0 V and 3.0 V versus Li(+)/Li. Density functional theory (DFT) calculations indicate that each cobalt atom coordinates with two nitrogen atoms within the PPy-Co coordination layer and the layers are connected with oxygen atoms between them. Coordination weakens the C-H bonds on PPy and makes the complex a novel lithium-storage material with high capacity and high cycling stability. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. High-performance liquid chromatography of metal complexes of pheophytins a and b

    International Nuclear Information System (INIS)

    Brykina, G.D.; Lazareva, E.E.; Uvarova, M.I.; Shpigun, O.A.

    1997-01-01

    Cu(2), Zn(2), Pb(2), Hg(2), and Ce(4) complexes of phenophytins a and b were synthesized. The chromatographic retention parameters of pheophytins a and b, chlorophylls a and b, and the above complexes were determined under conditions of normal-phase and reversed-phase high-performance liquid chromatography (HPLC). The adsorption of metal pheophytinates in the hexane-n-butanol (96:4)-Silasorb 600 and acetonitrile-ethanol-acetic acid (40:40:16)-Nucleosil C 18 systems was studied by HPLC. Factors that affect the chromatographic and adsorption characteristics of compounds (structural differences between pheophytinates of the a and b series, the nature of the central metal atom, and the nature of the mobile and stationary phases) are discussed. It is demonstrated that pheophytins a and b their metal complexes can be identified and quantiatively determined by HPLC in the concentration range (0.6-44.0)[10 -6 M

  12. DYNECHARM++: a toolkit to simulate coherent interactions of high-energy charged particles in complex structures

    Science.gov (United States)

    Bagli, Enrico; Guidi, Vincenzo

    2013-08-01

    A toolkit for the simulation of coherent interactions between high-energy charged particles and complex crystal structures, called DYNECHARM++ has been developed. The code has been written in C++ language taking advantage of this object-oriented programing method. The code is capable to evaluating the electrical characteristics of complex atomic structures and to simulate and track the particle trajectory within them. Calculation method of electrical characteristics based on their expansion in Fourier series has been adopted. Two different approaches to simulate the interaction have been adopted, relying on the full integration of particle trajectories under the continuum potential approximation and on the definition of cross-sections of coherent processes. Finally, the code has proved to reproduce experimental results and to simulate interaction of charged particles with complex structures.

  13. A rhodium(III) complex for high-affinity DNA base-pair mismatch recognition

    Science.gov (United States)

    Junicke, Henrik; Hart, Jonathan R.; Kisko, Jennifer; Glebov, Oleg; Kirsch, Ilan R.; Barton, Jacqueline K.

    2003-01-01

    A rhodium(III) complex, rac-[Rh(bpy)2phzi]3+ (bpy, 2,2′-bipyridine; phzi, benzo[a]phenazine-5,6-quinone diimine) has been designed as a sterically demanding intercalator targeted to destabilized mismatched sites in double-helical DNA. The complex is readily synthesized by condensation of the phenazine quinone with the corresponding diammine complex. Upon photoactivation, the complex promotes direct strand scission at single-base mismatch sites within the DNA duplex. As with the parent mismatch-specific reagent, [Rh(bpy)2(chrysi)]3+ [chrysene-5,6-quinone diimine (chrysi)], mismatch selectivity depends on the helix destabilization associated with mispairing. Unlike the parent chrysi complex, the phzi analogue binds and cleaves with high affinity and efficiency. The specific binding constants for CA, CC, and CT mismatches within a 31-mer oligonucleotide duplex are 0.3, 1, and 6 × 107 M−1, respectively; site-specific photocleavage is evident at nanomolar concentrations. Moreover, the specificity, defined as the ratio in binding affinities for mispaired vs. well paired sites, is maintained. The increase in affinity is attributed to greater stability in the mismatched site associated with stacking by the heterocyclic aromatic ligand. The high-affinity complex is also applied in the differential cleavage of DNA obtained from cell lines deficient in mismatch repair vs. those proficient in mismatch repair. Agreement is found between photocleavage by the mismatch-specific probes and deficiency in mismatch repair. This mismatch-specific targeting, therefore, offers a potential strategy for new chemotherapeutic design. PMID:12610209

  14. High capacity hydrogen absorption in transition-metal ethylene complexes: consequences of nanoclustering

    International Nuclear Information System (INIS)

    Phillips, A B; Shivaram, B S

    2009-01-01

    We have recently shown that organo-metallic complexes formed by laser ablating transition metals in ethylene are high hydrogen absorbers at room temperature (Phillips and Shivaram 2008 Phys. Rev. Lett. 100 105505). Here we show that the absorption percentage depends strongly on the ethylene pressure. High ethylene pressures (>100 mTorr) result in a lowered hydrogen uptake. Transmission electron microscopy measurements reveal that while low pressure ablations result in metal atoms dispersed uniformly on a near atomic scale, high pressure ones yield distinct nanoparticles with electron energy-loss spectroscopy demonstrating that the metal atoms are confined solely to the nanoparticles.

  15. AB INITIO molecular orbital studies of some high temperature metal halide complexes

    International Nuclear Information System (INIS)

    Curtiss, L.A.

    1978-01-01

    The use of ab initio molecular orbital calculations to aid in the characterization, i.e., structures and energies, of metal halide complexes present in high temperature salt vapors has been investigated. Standard LCAO-SCF methods were used and calculations were carried out using the minimal STO-3G basis set. The complexes included in this study were Al 2 F 6 , Al 2 Cl 6 , AlF 3 NH 3 , AlCl 3 NH 3 , and AlF 3 N 2 . The Al 2 X 6 complexes are found to have D/sub 2h/ symmetry in agreement with most experimental results. A planar form was found to be considerably higher in energy. The AlX 3 NH 3 complexes are found to have C/sub 3v/ symmetry with a small barrier to rotation about the Al-N axis. The AlF 3 N 2 complex is found to be weakly bound together with a binding energy of -8.2 kcal/mole at the STO-3G level

  16. Highly photoluminescent europium tetraphenylimidodiphosphinate ternary complexes with heteroaromatic co-ligands. Solution and solid state studies

    Energy Technology Data Exchange (ETDEWEB)

    Pietraszkiewicz, Marek, E-mail: mpietraszkiewicz@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Pietraszkiewicz, Oksana; Karpiuk, Jerzy; Majka, Alina [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Dutkiewicz, Grzegorz; Borowiak, Teresa [Adam Mickiewicz University, Faculty of Chemistry, Department of Crystallography, Grunwaldzka 6, 60-780 Poznań (Poland); Kaczmarek, Anna M. [L3–Luminescent Lanthanide Lab, f-element coordination chemistry, Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281, Building S3, 9000 Gent (Belgium); Van Deun, Rik, E-mail: rik.vandeun@ugent.be [L3–Luminescent Lanthanide Lab, f-element coordination chemistry, Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281, Building S3, 9000 Gent (Belgium)

    2016-02-15

    Tetraphenylimidodiphosphinate (tpip) forms neutral 3:1 complexes with lanthanide ions. These complexes can accommodate one ancillary planar heterocyclic ligand to complement their coordination sphere of Eu{sup 3+} to coordination number 8. Several co-ligands were tested to form new complexes: 1,10-phenanthroline, bathophenanthroline, 2,4,6-tris(2-pyridyl)-1,3,5-triazine, dipyrido[3,2-f:2′,3′-h]quinoxaline and 2,2′:6′,2′′-terpyridine. The addition of heterocyclic N,N-bidentate co-ligands to the coordination sphere results in a dramatic (by a factor of 45–50) luminescence enhancement of the parent Eu(tpip){sub 3}. The solid-state measurements confirmed that the ancillary ligands strongly increased the photoluminescence quantum yield (PLQY) of the investigated complexes. - Highlights: • We have disovered highly photoluminescent ternary Eu(III) complexes. • They consist of Eu(III) tetraphenylimidodiphosphinate, and planar heterocyclic ligands. • The increase in photoluminescence quantum yields in solution is enhanced up to 50 times in solution. • The solid-state photoluminescence exceeds 80% at room temperature.

  17. THE FIRST DISTANCE CONSTRAINT ON THE RENEGADE HIGH-VELOCITY CLOUD COMPLEX WD

    Energy Technology Data Exchange (ETDEWEB)

    Peek, J. E. G.; Roman-Duval, Julia; Tumlinson, Jason [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Bordoloi, Rongmon [MIT-Kavli Center for Astrophysics and Space Research, 77 Massachusetts Avenue, Cambridge, MA 02139 (United States); Sana, Hugues [Institute of Astronomy, KU Leuven, Celestijnenlaan 200 D, B-3001 Leuven (Belgium); Zheng, Yong [Department of Astronomy, Columbia University, New York, NY 10027 (United States)

    2016-09-10

    We present medium-resolution, near-ultraviolet Very Large Telescope/FLAMES observations of the star USNO-A0600-15865535. We adapt a standard method of stellar typing to our measurement of the shape of the Balmer ϵ absorption line to demonstrate that USNO-A0600-15865535 is a blue horizontal branch star, residing in the lower stellar halo at a distance of 4.4 kpc from the Sun. We measure the H and K lines of singly ionized calcium and find two isolated velocity components, one originating in the disk, and one associated with the high-velocity cloud complex WD. This detection demonstrated that complex WD is closer than ∼4.4 kpc and is the first distance constraint on the +100 km s{sup −1} Galactic complex of clouds. We find that complex WD is not in corotation with the Galactic disk, which has been assumed for decades. We examine a number of scenarios and find that the most likely scenario is that complex WD was ejected from the solar neighborhood and is only a few kiloparsecs from the Sun.

  18. Highly photoluminescent europium tetraphenylimidodiphosphinate ternary complexes with heteroaromatic co-ligands. Solution and solid state studies

    International Nuclear Information System (INIS)

    Pietraszkiewicz, Marek; Pietraszkiewicz, Oksana; Karpiuk, Jerzy; Majka, Alina; Dutkiewicz, Grzegorz; Borowiak, Teresa; Kaczmarek, Anna M.; Van Deun, Rik

    2016-01-01

    Tetraphenylimidodiphosphinate (tpip) forms neutral 3:1 complexes with lanthanide ions. These complexes can accommodate one ancillary planar heterocyclic ligand to complement their coordination sphere of Eu 3+ to coordination number 8. Several co-ligands were tested to form new complexes: 1,10-phenanthroline, bathophenanthroline, 2,4,6-tris(2-pyridyl)-1,3,5-triazine, dipyrido[3,2-f:2′,3′-h]quinoxaline and 2,2′:6′,2′′-terpyridine. The addition of heterocyclic N,N-bidentate co-ligands to the coordination sphere results in a dramatic (by a factor of 45–50) luminescence enhancement of the parent Eu(tpip) 3 . The solid-state measurements confirmed that the ancillary ligands strongly increased the photoluminescence quantum yield (PLQY) of the investigated complexes. - Highlights: • We have disovered highly photoluminescent ternary Eu(III) complexes. • They consist of Eu(III) tetraphenylimidodiphosphinate, and planar heterocyclic ligands. • The increase in photoluminescence quantum yields in solution is enhanced up to 50 times in solution. • The solid-state photoluminescence exceeds 80% at room temperature.

  19. Mixed-ligand Al complex-a new approach for more high efficient OLEDs

    Energy Technology Data Exchange (ETDEWEB)

    Petrova, Petia K., E-mail: petia@clf.bas.bg [Institute of Optical Materials and Technologies ' Acad. J. Malinowski' , Bulgarian Academy of Sciences, Acad. G Bonchev st., bl. 109, 1113 Sofia (Bulgaria); Tomova, Reni L.; Stoycheva-Topalova, Rumiana T. [Institute of Optical Materials and Technologies ' Acad. J. Malinowski' , Bulgarian Academy of Sciences, Acad. G Bonchev st., bl. 109, 1113 Sofia (Bulgaria); Kaloyanova, Stefka S.; Deligeorgiev, Todor G. [Applied Organic Chemistry, Faculty of Chemistry, University of Sofia, Sofia 1164 (Bulgaria)

    2012-02-15

    The mixed-ligand Aluminum bis(8-hydroxyquinoline) acetylacetonate (Alq{sub 2}Acac) complex was presented and its performance as electroluminescent and electron transporting layer for OLED was studied. The photophysical properties of the novel complex were investigated and compared with the properties of the parent Alq{sub 3}. Highly efficient OLED based on the mixed-ligand Al complex was developed with two times higher luminescence and efficiency compared to the identical OLED based on the conventional Alq{sub 3} The better performance of the devices make the novel Al complex a very promising material for OLEDs. - Highlights: Black-Right-Pointing-Pointer A novel electroluminescent Alq{sub 2}Acac complex is presented as material for OLED. Black-Right-Pointing-Pointer Electroluminescent emission of Alq{sub 2}Acac is very similar to that of commercial Alq{sub 3}. Black-Right-Pointing-Pointer Devices with Alq{sub 2}Acac show better characteristics compared to those with Alq{sub 3}.

  20. An Automated Approach to Very High Order Aeroacoustic Computations in Complex Geometries

    Science.gov (United States)

    Dyson, Rodger W.; Goodrich, John W.

    2000-01-01

    Computational aeroacoustics requires efficient, high-resolution simulation tools. And for smooth problems, this is best accomplished with very high order in space and time methods on small stencils. But the complexity of highly accurate numerical methods can inhibit their practical application, especially in irregular geometries. This complexity is reduced by using a special form of Hermite divided-difference spatial interpolation on Cartesian grids, and a Cauchy-Kowalewslci recursion procedure for time advancement. In addition, a stencil constraint tree reduces the complexity of interpolating grid points that are located near wall boundaries. These procedures are used to automatically develop and implement very high order methods (>15) for solving the linearized Euler equations that can achieve less than one grid point per wavelength resolution away from boundaries by including spatial derivatives of the primitive variables at each grid point. The accuracy of stable surface treatments is currently limited to 11th order for grid aligned boundaries and to 2nd order for irregular boundaries.

  1. Quench-in of different high T complexities of glassformers for leisurely study at lower temperatures

    DEFF Research Database (Denmark)

    Angell, C. A.; Yue, Yuanzheng; Wang, L. M.

    Quenching-in of different high T complexities of glassformers for leisurely study at lower temperatures We describe a series of experiments on glass-forming liquids that are motivated by a common idea. The idea is that of trapping in a high enthalpy, high entropy, and state of the system by quenc......Quenching-in of different high T complexities of glassformers for leisurely study at lower temperatures We describe a series of experiments on glass-forming liquids that are motivated by a common idea. The idea is that of trapping in a high enthalpy, high entropy, and state of the system...... by quenching to the glassy state at extreme rates, and then observing the way the system evolves at low temperatures during a controlled annealing procedure. In this manner, events that normally occur during change of temperature may be observed occurring during passage of time, at much lower temperatures....... At these low temperatures, the smearing effects of vibrationally excited modes may be greatly reduced. We study both relaxational properties and vibrational properties and find that the high fictive temperature states are characterized by short relaxation times (already known) and considerably more intense...

  2. A high throughput architecture for a low complexity soft-output demapping algorithm

    Science.gov (United States)

    Ali, I.; Wasenmüller, U.; Wehn, N.

    2015-11-01

    Iterative channel decoders such as Turbo-Code and LDPC decoders show exceptional performance and therefore they are a part of many wireless communication receivers nowadays. These decoders require a soft input, i.e., the logarithmic likelihood ratio (LLR) of the received bits with a typical quantization of 4 to 6 bits. For computing the LLR values from a received complex symbol, a soft demapper is employed in the receiver. The implementation cost of traditional soft-output demapping methods is relatively large in high order modulation systems, and therefore low complexity demapping algorithms are indispensable in low power receivers. In the presence of multiple wireless communication standards where each standard defines multiple modulation schemes, there is a need to have an efficient demapper architecture covering all the flexibility requirements of these standards. Another challenge associated with hardware implementation of the demapper is to achieve a very high throughput in double iterative systems, for instance, MIMO and Code-Aided Synchronization. In this paper, we present a comprehensive communication and hardware performance evaluation of low complexity soft-output demapping algorithms to select the best algorithm for implementation. The main goal of this work is to design a high throughput, flexible, and area efficient architecture. We describe architectures to execute the investigated algorithms. We implement these architectures on a FPGA device to evaluate their hardware performance. The work has resulted in a hardware architecture based on the figured out best low complexity algorithm delivering a high throughput of 166 Msymbols/second for Gray mapped 16-QAM modulation on Virtex-5. This efficient architecture occupies only 127 slice registers, 248 slice LUTs and 2 DSP48Es.

  3. Broad supernatural punishment but not moralizing high gods precede the evolution of political complexity in Austronesia

    OpenAIRE

    Watts, Joseph; Greenhill, Simon J.; Atkinson, Quentin D.; Currie, Thomas E.; Bulbulia, Joseph; Gray, Russell D.

    2015-01-01

    Supernatural belief presents an explanatory challenge to evolutionary theorists—it is both costly and prevalent. One influential functional explanation claims that the imagined threat of supernatural punishment can suppress selfishness and enhance cooperation. Specifically, morally concerned supreme deities or ‘moralizing high gods' have been argued to reduce free-riding in large social groups, enabling believers to build the kind of complex societies that define modern humanity. Previous cro...

  4. A dynamic simulation model of the Savannah River Site high level waste complex

    International Nuclear Information System (INIS)

    Gregory, M.V.; Aull, J.E.; Dimenna, R.A.

    1994-01-01

    A detailed, dynamic simulation entire high level radioactive waste complex at the Savannah River Site has been developed using SPEEDUP(tm) software. The model represents mass transfer, evaporation, precipitation, sludge washing, effluent treatment, and vitrification unit operation processes through the solution of 7800 coupled differential and algebraic equations. Twenty-seven discrete chemical constituents are tracked through the unit operations. The simultaneous simultaneous simulation of concurrent batch and continuous processes is achieved by several novel, customized SPEEDUP(tm) algorithms. Due to the model's computational burden, a high-end work station is required: simulation of a years operation of the complex requires approximately three CPU hours on an IBM RS/6000 Model 590 processor. The model will be used to develop optimal high level waste (HLW) processing strategies over a thirty year time horizon. It will be employed to better understand the dynamic inter-relationships between different HLW unit operations, and to suggest strategies that will maximize available working tank space during the early years of operation and minimize overall waste processing cost over the long-term history of the complex. Model validation runs are currently underway with comparisons against actual plant operating data providing an excellent match

  5. High performance parallel computing of flows in complex geometries: II. Applications

    International Nuclear Information System (INIS)

    Gourdain, N; Gicquel, L; Staffelbach, G; Vermorel, O; Duchaine, F; Boussuge, J-F; Poinsot, T

    2009-01-01

    Present regulations in terms of pollutant emissions, noise and economical constraints, require new approaches and designs in the fields of energy supply and transportation. It is now well established that the next breakthrough will come from a better understanding of unsteady flow effects and by considering the entire system and not only isolated components. However, these aspects are still not well taken into account by the numerical approaches or understood whatever the design stage considered. The main challenge is essentially due to the computational requirements inferred by such complex systems if it is to be simulated by use of supercomputers. This paper shows how new challenges can be addressed by using parallel computing platforms for distinct elements of a more complex systems as encountered in aeronautical applications. Based on numerical simulations performed with modern aerodynamic and reactive flow solvers, this work underlines the interest of high-performance computing for solving flow in complex industrial configurations such as aircrafts, combustion chambers and turbomachines. Performance indicators related to parallel computing efficiency are presented, showing that establishing fair criterions is a difficult task for complex industrial applications. Examples of numerical simulations performed in industrial systems are also described with a particular interest for the computational time and the potential design improvements obtained with high-fidelity and multi-physics computing methods. These simulations use either unsteady Reynolds-averaged Navier-Stokes methods or large eddy simulation and deal with turbulent unsteady flows, such as coupled flow phenomena (thermo-acoustic instabilities, buffet, etc). Some examples of the difficulties with grid generation and data analysis are also presented when dealing with these complex industrial applications.

  6. Semiempirical confrontations between theory and experiment in highly ionised complex atoms

    International Nuclear Information System (INIS)

    Curtis, L.J.

    1989-01-01

    Highly ionised complex atoms, which have many electrons stripped away but many electrons still remaining, are presently a subject of vigorous experimental study. The high precision experimentally attainable for these systems suggests their use in the investigation of higher order theoretical processes, and the specification of these interactions is essential to the development of reliable predictive methods. It is shown that parametric reductions which combine ab initio theoretical calculations with experimental observations can yield predictions of much higher precision than could be obtained from either source separately. These formulations also reveal subtle regularities in the measured data that are not exhibited by the corresponding computations, which suggest possible calculational improvements. (orig.)

  7. TEXT COMPLEXITY IN SENIOR HIGH SCHOOL ENGLISH TEXTBOOKS: A SYSTEMIC FUNCTIONAL PERSPECTIVE

    Directory of Open Access Journals (Sweden)

    Dhani Aldila Putra

    2017-09-01

    Full Text Available Textbooks have been considered to play a key role in the processes of education by researchers and educators, and the need to explore the language of textbooks has become increasingly recognized. However, although textbooks are an important learning tool, textbook language and composition have not been widely explored especially from textual perspectives. The purpose of the present study is to investigate text complexity progression in the reading texts of English textbooks published for senior high school students in Indonesia. The nature and rate of that progression are addressed within the framework of Systemic Functional Linguistics. Being largely qualitative, this study examines three consecutive textbooks issued by the Ministry of Education, which are available online for classroom use. Data were collected and sampled from the reading texts found in the textbooks and were analyzed with regard to lexical density, lexical variation and grammatical intricacy in order to find the complexity of the texts. The results of the analyses show that regardless of the inconsistent progression of text complexity within each textbook, there is a consistent pattern of text complexity progression across grade levels. In other words, the lexical density, lexical variation and grammatical intricacy across the textbooks were found to have consistent progression from one grade level to another of which the direction is positive. It could be concluded that in general the language used in the texts becomes increasingly sophisticated, especially at lexical level, in accordance with grade level progression to cater for students’ intellectual development.

  8. High-Throughput and Rapid Screening of Low-Mass Hazardous Compounds in Complex Samples.

    Science.gov (United States)

    Wang, Jing; Liu, Qian; Gao, Yan; Wang, Yawei; Guo, Liangqia; Jiang, Guibin

    2015-07-07

    Rapid screening and identification of hazardous chemicals in complex samples is of extreme importance for public safety and environmental health studies. In this work, we report a new method for high-throughput, sensitive, and rapid screening of low-mass hazardous compounds in complex media without complicated sample preparation procedures. This method is achieved based on size-selective enrichment on ordered mesoporous carbon followed by matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry analysis with graphene as a matrix. The ordered mesoporous carbon CMK-8 can exclude interferences from large molecules in complex samples (e.g., human serum, urine, and environmental water samples) and efficiently enrich a wide variety of low-mass hazardous compounds. The method can work at very low concentrations down to part per trillion (ppt) levels, and it is much faster and more facile than conventional methods. It was successfully applied to rapidly screen and identify unknown toxic substances such as perfluorochemicals in human serum samples from athletes and workers. Therefore, this method not only can sensitively detect target compounds but also can identify unknown hazardous compounds in complex media.

  9. Antiferromagnetic coupling in a six-coordinate high spin cobalt(II)-semiquinonato complex.

    Science.gov (United States)

    Caneschi, Andrea; Dei, Andrea; Gatteschi, Dante; Tangoulis, Vassilis

    2002-07-01

    The 3,5-di-tert-butyl-catecholato and 9,10-phenanthrenecatecholato adducts of the cobalt-tetraazamacrocycle complex Co(Me(4)cyclam)(2+) (Me(4)cyclam = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane) were synthesized and oxidized. The oxidation reaction products were isolated in the solid state as hexafluorophosphate derivatives. Both these complexes can be formulated as 1:1 cobalt(II)-semiquinonato complexes, that is, Co(Me(4)cyclam)(DBSQ)PF(6) (1) and Co(Me(4)cyclam)(PhSQ)PF(6) (2), in the temperature range 4-300 K, in striking contrast with the charge distribution found in similar adducts formed by related tetraazamacrocycles. The synthesis strategy and the structural, spectroscopic, and magnetic properties are reported and discussed. The crystallographic data for 2 are as follows: monoclinic, space group P2(1)/a, nomicron. 14, a = 14.087(4) A, b = 15.873(4) A, c = 14.263 (7) A, alpha = 89.91(3) degrees, beta = 107.34(2) degrees, gamma = 90.08(2) degrees, Z = 4. Both these complexes are characterized by triplet electronic ground states arising from the antiferromagnetic coupling between the high-spin d(7) metal ion and the radical ligand.

  10. Broad supernatural punishment but not moralizing high gods precede the evolution of political complexity in Austronesia.

    Science.gov (United States)

    Watts, Joseph; Greenhill, Simon J; Atkinson, Quentin D; Currie, Thomas E; Bulbulia, Joseph; Gray, Russell D

    2015-04-07

    Supernatural belief presents an explanatory challenge to evolutionary theorists-it is both costly and prevalent. One influential functional explanation claims that the imagined threat of supernatural punishment can suppress selfishness and enhance cooperation. Specifically, morally concerned supreme deities or 'moralizing high gods' have been argued to reduce free-riding in large social groups, enabling believers to build the kind of complex societies that define modern humanity. Previous cross-cultural studies claiming to support the MHG hypothesis rely on correlational analyses only and do not correct for the statistical non-independence of sampled cultures. Here we use a Bayesian phylogenetic approach with a sample of 96 Austronesian cultures to test the MHG hypothesis as well as an alternative supernatural punishment hypothesis that allows punishment by a broad range of moralizing agents. We find evidence that broad supernatural punishment drives political complexity, whereas MHGs follow political complexity. We suggest that the concept of MHGs diffused as part of a suite of traits arising from cultural exchange between complex societies. Our results show the power of phylogenetic methods to address long-standing debates about the origins and functions of religion in human society. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

  11. Bright electroluminescence from a chelate phosphine oxide Eu{sup III} complex with high thermal performance

    Energy Technology Data Exchange (ETDEWEB)

    Xu Hui [School of Chemistry and Materials, Heilongjiang University, 74 Xuefu Road, Nangang District, Harbin 150080, Heilongjiang Province (China); Institute of Advanced Materials (IAM), Nanjing University of Posts and Telecommunications, 66 Xinmofan Road, Nanjing 21003, Jiangsu Province (China); Yin Kun; Wang Lianhui [Institute of Advanced Materials (IAM), Nanjing University of Posts and Telecommunications, 66 Xinmofan Road, Nanjing 21003, Jiangsu Province (China); Huang Wei [Institute of Advanced Materials (IAM), Fudan University, 220 Handan Road, Shanghai 200433 (China)], E-mail: wei-huang@njupt.edu.cn

    2008-10-01

    The chelate phosphine oxide ligand 1,8-bis(diphenylphosphino)naphthalene oxide (NaPO) was used to prepare complex 1 tris(2-thenoyltrifluoroacetonate)(1,8-bis(diphenylphosphino)naphthalene oxide)europium(III). The rigid structure of NaPO makes 1 have more compact structure resulting in a temperature of glass transition as high as 147 deg. C, which is the highest in luminescent Eu{sup III} complexes, and a higher decomposition temperature of 349 deg. C. The improvement of carrier transfer ability of NaPO was proved by Gaussian simulation. The multi-layered electroluminescent device based on 1 had a low turn-on voltage of 6.0 V, the maximum brightness of 601 cd m{sup -2} at 21.5 V and 481.4 mA cm{sup -2}, and the excellent voltage-independent spectral stability. These properties demonstrated NaPO cannot only be favorable to form the rigid and compact complex structure, and increase the thermal and morphological stability of the complex, but also reduce the formation of the exciplex.

  12. High-Resolution 3T MR Imaging of the Triangular Fibrocartilage Complex.

    Science.gov (United States)

    von Borstel, Donald; Wang, Michael; Small, Kirstin; Nozaki, Taiki; Yoshioka, Hiroshi

    2017-01-10

    This study is intended as a review of 3Tesla (T) magnetic resonance (MR) imaging of the triangular fibrocartilage complex (TFCC). The recent advances in MR imaging, which includes high field strength magnets, multi-channel coils, and isotropic 3-dimensional (3D) sequences have enabled the visualization of precise TFCC anatomy with high spatial and contrast resolution. In addition to the routine wrist protocol, there are specific techniques used to optimize 3T imaging of the wrist; including driven equilibrium sequence (DRIVE), parallel imaging, and 3D imaging. The coil choice for 3T imaging of the wrist depends on a number of variables, and the proper coil design selection is critical for high-resolution wrist imaging with high signal and contrast-to-noise ratio. The TFCC is a complex structure and is composed of the articular disc (disc proper), the triangular ligament, the dorsal and volar radioulnar ligaments, the meniscus homologue, the ulnar collateral ligament (UCL), the extensor carpi ulnaris (ECU) tendon sheath, and the ulnolunate and ulnotriquetral ligaments. The Palmer classification categorizes TFCC lesions as traumatic (type 1) or degenerative (type 2). In this review article, we present clinical high-resolution MR images of normal TFCC anatomy and TFCC injuries with this classification system.

  13. Study of application technology of ultra-high speed computer to the elucidation of complex phenomena

    International Nuclear Information System (INIS)

    Sekiguchi, Tomotsugu

    1996-01-01

    The basic design of numerical information library in the decentralized computer network was explained at the first step of constructing the application technology of ultra-high speed computer to the elucidation of complex phenomena. Establishment of the system makes possible to construct the efficient application environment of ultra-high speed computer system to be scalable with the different computing systems. We named the system Ninf (Network Information Library for High Performance Computing). The summary of application technology of library was described as follows: the application technology of library under the distributed environment, numeric constants, retrieval of value, library of special functions, computing library, Ninf library interface, Ninf remote library and registration. By the system, user is able to use the program concentrating the analyzing technology of numerical value with high precision, reliability and speed. (S.Y.)

  14. A Highly Expressed High-Molecular-Weight S-Layer Complex of Pelosinus sp. Strain UFO1 Binds Uranium

    Energy Technology Data Exchange (ETDEWEB)

    Thorgersen, Michael P. [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Lancaster, W. Andrew [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Rajeev, Lara [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Biological Systems and Engineering Division; Ge, Xiaoxuan [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Vaccaro, Brian J. [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Poole, Farris L. [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Arkin, Adam P. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Biological Systems and Engineering Division; Mukhopadhyay, Aindrila [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Biological Systems and Engineering Division; Adams, Michael W. W. [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology

    2016-12-02

    Cell suspensions of Pelosinus sp. strain UFO1 were previously shown, using spectroscopic analysis, to sequester uranium as U(IV) complexed with carboxyl and phosphoryl group ligands on proteins. The goal of our present study was to characterize the proteins involved in uranium binding. Virtually all of the uranium in UFO1 cells was associated with a heterodimeric protein, which was termed the uranium-binding complex (UBC). The UBC was composed of two S-layer domain proteins encoded by UFO1_4202 and UFO1_4203. Samples of UBC purified from the membrane fraction contained 3.3 U atoms/heterodimer, but significant amounts of phosphate were not detected. The UBC had an estimated molecular mass by gel filtration chromatography of 15 MDa, and it was proposed to contain 150 heterodimers (UFO1_4203 and UFO1_4202) and about 500 uranium atoms. The UBC was also the dominant extracellular protein, but when purified from the growth medium, it contained only 0.3 U atoms/heterodimer. The two genes encoding the UBC were among the most highly expressed genes within the UFO1 genome, and their expressions were unchanged by the presence or absence of uranium. Therefore, the UBC appears to be constitutively expressed and is the first line of defense against uranium, including by secretion into the extracellular medium. Although S-layer proteins were previously shown to bind U(VI), here we showed that U(IV) binds to S-layer proteins, we identified the proteins involved, and we quantitated the amount of uranium bound. Widespread uranium contamination from industrial sources poses hazards to human health and to the environment. Here in this paper, we identified a highly abundant uranium-binding complex (UBC) from Pelosinus sp. strain UFO1. The complex makes up the primary protein component of the S-layer of strain UFO1 and binds 3.3 atoms of U(IV) per heterodimer. Finally, while other bacteria have been shown to bind U(VI) on their S-layer, we demonstrate here an example of U(IV) bound by

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

    Science.gov (United States)

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

    2013-11-12

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

  16. Genes involved in complex adaptive processes tend to have highly conserved upstream regions in mammalian genomes

    Directory of Open Access Journals (Sweden)

    Kohane Isaac

    2005-11-01

    Full Text Available Abstract Background Recent advances in genome sequencing suggest a remarkable conservation in gene content of mammalian organisms. The similarity in gene repertoire present in different organisms has increased interest in studying regulatory mechanisms of gene expression aimed at elucidating the differences in phenotypes. In particular, a proximal promoter region contains a large number of regulatory elements that control the expression of its downstream gene. Although many studies have focused on identification of these elements, a broader picture on the complexity of transcriptional regulation of different biological processes has not been addressed in mammals. The regulatory complexity may strongly correlate with gene function, as different evolutionary forces must act on the regulatory systems under different biological conditions. We investigate this hypothesis by comparing the conservation of promoters upstream of genes classified in different functional categories. Results By conducting a rank correlation analysis between functional annotation and upstream sequence alignment scores obtained by human-mouse and human-dog comparison, we found a significantly greater conservation of the upstream sequence of genes involved in development, cell communication, neural functions and signaling processes than those involved in more basic processes shared with unicellular organisms such as metabolism and ribosomal function. This observation persists after controlling for G+C content. Considering conservation as a functional signature, we hypothesize a higher density of cis-regulatory elements upstream of genes participating in complex and adaptive processes. Conclusion We identified a class of functions that are associated with either high or low promoter conservation in mammals. We detected a significant tendency that points to complex and adaptive processes were associated with higher promoter conservation, despite the fact that they have emerged

  17. Solution structure of the Grb2 SH2 domain complexed with a high-affinity inhibitor

    International Nuclear Information System (INIS)

    Ogura, Kenji; Shiga, Takanori; Yokochi, Masashi; Yuzawa, Satoru; Burke, Terrence R.; Inagaki, Fuyuhiko

    2008-01-01

    The solution structure of the growth factor receptor-bound protein 2 (Grb2) SH2 domain complexed with a high-affinity inhibitor containing a non-phosphorus phosphate mimetic within a macrocyclic platform was determined by nuclear magnetic resonance (NMR) spectroscopy. Unambiguous assignments of the bound inhibitor and intermolecular NOEs between the Grb2 SH2 domain and the inhibitor was accomplished using perdeuterated Grb2 SH2 protein. The well-defined solution structure of the complex was obtained and compared to those by X-ray crystallography. Since the crystal structure of the Grb2 SH2 domain formed a domain-swapped dimer and several inhibitors were bound to a hinge region, there were appreciable differences between the solution and crystal structures. Based on the binding interactions between the inhibitor and the Grb2 SH2 domain in solution, we proposed a design of second-generation inhibitors that could be expected to have higher affinity

  18. Comparative transcriptome analysis within the Lolium/Festuca species complex reveals high sequence conservation

    DEFF Research Database (Denmark)

    Czaban, Adrian; Sharma, Sapna; Byrne, Stephen

    2015-01-01

    species from the Lolium-Festuca complex, ranging from 52,166 to 72,133 transcripts per assembly. We have also predicted a set of proteins and validated it with a high-confidence protein database from three closely related species (H. vulgare, B. distachyon and O. sativa). We have obtained gene family...... clusters for the four species using OrthoMCL and analyzed their inferred phylogenetic relationships. Our results indicate that VRN2 is a candidate gene for differentiating vernalization and non-vernalization types in the Lolium-Festuca complex. Grouping of the gene families based on their BLAST identity...... enabled us to divide ortholog groups into those that are very conserved and those that are more evolutionarily relaxed. The ratio of the non-synonumous to synonymous substitutions enabled us to pinpoint protein sequences evolving in response to positive selection. These proteins may explain some...

  19. Enabling Requirements-Based Programming for Highly-Dependable Complex Parallel and Distributed Systems

    Science.gov (United States)

    Hinchey, Michael G.; Rash, James L.; Rouff, Christopher A.

    2005-01-01

    The manual application of formal methods in system specification has produced successes, but in the end, despite any claims and assertions by practitioners, there is no provable relationship between a manually derived system specification or formal model and the customer's original requirements. Complex parallel and distributed system present the worst case implications for today s dearth of viable approaches for achieving system dependability. No avenue other than formal methods constitutes a serious contender for resolving the problem, and so recognition of requirements-based programming has come at a critical juncture. We describe a new, NASA-developed automated requirement-based programming method that can be applied to certain classes of systems, including complex parallel and distributed systems, to achieve a high degree of dependability.

  20. High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Daniel A. Mosher; Xia Tang; Ronald J. Brown; Sarah Arsenault; Salvatore Saitta; Bruce L. Laube; Robert H. Dold; Donald L. Anton

    2007-07-27

    This final report describes the motivations, activities and results of the hydrogen storage independent project "High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides" performed by the United Technologies Research Center under the Department of Energy Hydrogen Program, contract # DE-FC36-02AL67610. The objectives of the project were to identify and address the key systems technologies associated with applying complex hydride materials, particularly ones which differ from those for conventional metal hydride based storage. This involved the design, fabrication and testing of two prototype systems based on the hydrogen storage material NaAlH4. Safety testing, catalysis studies, heat exchanger optimization, reaction kinetics modeling, thermochemical finite element analysis, powder densification development and material neutralization were elements included in the effort.

  1. High-Frequency Promoter Firing Links THO Complex Function to Heavy Chromatin Formation

    DEFF Research Database (Denmark)

    Mouaikel, John; Causse, Sébastien Z; Rougemaille, Mathieu

    2013-01-01

    The THO complex is involved in transcription, genome stability, and messenger ribonucleoprotein (mRNP) formation, but its precise molecular function remains enigmatic. Under heat shock conditions, THO mutants accumulate large protein-DNA complexes that alter the chromatin density of target genes...... (heavy chromatin), defining a specific biochemical facet of THO function and a powerful tool of analysis. Here, we show that heavy chromatin distribution is dictated by gene boundaries and that the gene promoter is necessary and sufficient to convey THO sensitivity in these conditions. Single......-molecule fluorescence insitu hybridization measurements show that heavy chromatin formation correlates with an unusually high firing pace of the promoter with more than 20 transcription events per minute. Heavy chromatin formation closely follows the modulation of promoter firing and strongly correlates with polymerase...

  2. A Framework for the Interactive Handling of High-Dimensional Simulation Data in Complex Geometries

    KAUST Repository

    Benzina, Amal; Buse, Gerrit; Butnaru, Daniel; Murarasu, Alin; Treib, Marc; Varduhn, Vasco; Mundani, Ralf-Peter

    2013-01-01

    Flow simulations around building infrastructure models involve large scale complex geometries, which when discretized in adequate detail entail high computational cost. Moreover, tasks such as simulation insight by steering or optimization require many such costly simulations. In this paper, we illustrate the whole pipeline of an integrated solution for interactive computational steering, developed for complex flow simulation scenarios that depend on a moderate number of both geometric and physical parameters. A mesh generator takes building information model input data and outputs a valid cartesian discretization. A sparse-grids-based surrogate model—a less costly substitute for the parameterized simulation—uses precomputed data to deliver approximated simulation results at interactive rates. Furthermore, a distributed multi-display visualization environment shows building infrastructure together with flow data. The focus is set on scalability and intuitive user interaction.

  3. Treatment of high-latency microcapsules containing an aluminium complex with an epoxy-functionalised trialkoxysilane.

    Science.gov (United States)

    Kamiya, Kazunobu; Suzuki, Noboru

    2016-12-01

    Some aluminium complexes are excellent catalysts of cationic polymerisation and are used for low-temperature and fast-curing adhesive, used in electronic part mounting. Microencapsulation is a suitable technique for getting high latency of the catalysts and long shelf life of the adhesives. For the higher latency in a cycloaliphatic epoxy compound, the microcapsule surface which retained small amount of aluminium complex was coated with epoxy polymer and the effect was examined. From the X-ray photoelectron spectroscopic results, the surface was recognised to be sufficiently coated and the differential scanning calorimetric analyses showed that the coating did not significantly affect the low-temperature and fast-curing properties of adhesive. After storing the mixture of cycloaliphatic epoxy compound, coated microcapsules, triphenylsilanol and silane coupling agent for 48 h at room temperature, the increase in viscosity was only 0.01 Pa s, resulting in the excellent shelf life.

  4. Lukasiewicz-Moisil Many-Valued Logic Algebra of Highly-Complex Systems

    Directory of Open Access Journals (Sweden)

    James F. Glazebrook

    2010-06-01

    Full Text Available The fundamentals of Lukasiewicz-Moisil logic algebras and their applications to complex genetic network dynamics and highly complex systems are presented in the context of a categorical ontology theory of levels, Medical Bioinformatics and self-organizing, highly complex systems. Quantum Automata were defined in refs.[2] and [3] as generalized, probabilistic automata with quantum state spaces [1]. Their next-state functions operate through transitions between quantum states defined by the quantum equations of motions in the SchrÄodinger representation, with both initial and boundary conditions in space-time. A new theorem is proven which states that the category of quantum automata and automata-homomorphisms has both limits and colimits. Therefore, both categories of quantum automata and classical automata (sequential machines are bicomplete. A second new theorem establishes that the standard automata category is a subcategory of the quantum automata category. The quantum automata category has a faithful representation in the category of Generalized (M,R-Systems which are open, dynamic biosystem networks [4] with de¯ned biological relations that represent physiological functions of primordial(s, single cells and the simpler organisms. A new category of quantum computers is also defined in terms of reversible quantum automata with quantum state spaces represented by topological groupoids that admit a local characterization through unique, quantum Lie algebroids. On the other hand, the category of n-Lukasiewicz algebras has a subcategory of centered n-Lukasiewicz algebras (as proven in ref. [2] which can be employed to design and construct subcategories of quantum automata based on n-Lukasiewicz diagrams of existing VLSI. Furthermore, as shown in ref. [2] the category of centered n-Lukasiewicz algebras and the category of Boolean algebras are naturally equivalent. A `no-go' conjecture is also proposed which states that Generalized (M

  5. Capturing and modelling high-complex alluvial topography with UAS-borne laser scanning

    Science.gov (United States)

    Mandlburger, Gottfried; Wieser, Martin; Pfennigbauer, Martin

    2015-04-01

    Due to fluvial activity alluvial forests are zones of highest complexity and relief energy. Alluvial forests are dominated by new and pristine channels in consequence of current and historic flood events. Apart from topographic features, the vegetation structure is typically very complex featuring, both, dense under story as well as high trees. Furthermore, deadwood and debris carried from upstream during periods of high discharge within the river channel are deposited in these areas. Therefore, precise modelling of the micro relief of alluvial forests using standard tools like Airborne Laser Scanning (ALS) is hardly feasible. Terrestrial Laser Scanning (TLS), in turn, is very time consuming for capturing larger areas as many scan positions are necessary for obtaining complete coverage due to view occlusions in the forest. In the recent past, the technological development of Unmanned Arial Systems (UAS) has reached a level that light-weight survey-grade laser scanners can be operated from these platforms. For capturing alluvial topography this could bridge the gap between ALS and TLS in terms of providing a very detailed description of the topography and the vegetation structure due to the achievable very high point density of >100 points per m2. In our contribution we demonstrate the feasibility to apply UAS-borne laser scanning for capturing and modelling the complex topography of the study area Neubacher Au, an alluvial forest at the pre-alpine River Pielach (Lower Austria). The area was captured with Riegl's VUX-1 compact time-of-flight laser scanner mounted on a RiCopter (X-8 array octocopter). The scanner features an effective scan rate of 500 kHz and was flown in 50-100 m above ground. At this flying height the laser footprint is 25-50 mm allowing mapping of very small surface details. Furthermore, online waveform processing of the backscattered laser energy enables the retrieval of multiple targets for single laser shots resulting in a dense point cloud of

  6. High-throughput metagenomic technologies for complex microbial community analysis: open and closed formats.

    Science.gov (United States)

    Zhou, Jizhong; He, Zhili; Yang, Yunfeng; Deng, Ye; Tringe, Susannah G; Alvarez-Cohen, Lisa

    2015-01-27

    Understanding the structure, functions, activities and dynamics of microbial communities in natural environments is one of the grand challenges of 21st century science. To address this challenge, over the past decade, numerous technologies have been developed for interrogating microbial communities, of which some are amenable to exploratory work (e.g., high-throughput sequencing and phenotypic screening) and others depend on reference genes or genomes (e.g., phylogenetic and functional gene arrays). Here, we provide a critical review and synthesis of the most commonly applied "open-format" and "closed-format" detection technologies. We discuss their characteristics, advantages, and disadvantages within the context of environmental applications and focus on analysis of complex microbial systems, such as those in soils, in which diversity is high and reference genomes are few. In addition, we discuss crucial issues and considerations associated with applying complementary high-throughput molecular technologies to address important ecological questions. Copyright © 2015 Zhou et al.

  7. Linear stability theory as an early warning sign for transitions in high dimensional complex systems

    International Nuclear Information System (INIS)

    Piovani, Duccio; Grujić, Jelena; Jensen, Henrik Jeldtoft

    2016-01-01

    We analyse in detail a new approach to the monitoring and forecasting of the onset of transitions in high dimensional complex systems by application to the Tangled Nature model of evolutionary ecology and high dimensional replicator systems with a stochastic element. A high dimensional stability matrix is derived in the mean field approximation to the stochastic dynamics. This allows us to determine the stability spectrum about the observed quasi-stable configurations. From overlap of the instantaneous configuration vector of the full stochastic system with the eigenvectors of the unstable directions of the deterministic mean field approximation, we are able to construct a good early-warning indicator of the transitions occurring intermittently. (paper)

  8. [Conceptualization of knowledge management in medium and high complexity health institutions].

    Science.gov (United States)

    Arboleda-Posada, Gladys I

    2016-06-01

    Objective To identify the familiarization, conceptualization and incorporation of employees of medium and high complexity health institutions in the Valle de Aburrá, Colombia into the strategic knowledge management platform in 2011. Methodology Cross sectional study. The study was carried out by applying surveys to 224 employees to assess knowledge management. The population included staff who working in the Health Providing Institutions (IPS) of high (52) and medium complexity (322) in the Valle de Aburrá in 2011. In both the public and private institutions surveyed, 38.8 % of the respondents said they were not familiar with knowledge management. Among those who had administrative training, the ignorance was less than among care workers. It was also noted that as the level of education increased, knowledge of the concept was greater. A high proportion (65.2 % ) of respondents placed the concept in line with the creation, organization, storage, retrieval, transfer and application of knowledge systematically. 78.7 % of respondents from public institutions said that knowledge management was part of the strategic platform of the institution. 58.3 % from private institutions said the same. Conclusions In general terms the concept of knowledge management is not well conceived or familiar to the staff working in these institutions. The study confirmed a lack of empowerment in the field to promote the development of new ideas and to ensure that they become service innovations or processes that contribute to the development of institutional knowledge.

  9. Is there a temperature? conceptual challenges at high energy, acceleration and complexity

    CERN Document Server

    Sándor Biró, Tamás

    2011-01-01

    Physical bodies can be hot or cold, moving or standing,simple or complex. In all such cases one assumes that their respective temperature is a well defined attribute.  What if, however, the ordinary measurement of temperature by direct body contact is not possible?  One conjectures its value, and yes, its very existence, by reasoning based on basic principles of thermodynamics. Is There a Temperature?  Conceptual Challenges at High Energy, Acceleration and Complexity, by Dr. Tamás Sándor Bíró, begins by asking the questions “Do we understand and can we explain in a unified framework the temperature of distant radiation sources, including event horizons, and that of the quark matter produced in high energy accelerator experiments? Or the astounding fluctuations on financial markets?” The book reviews the concept of temperature from its beginnings through the evolution of classical thermodynamics and atomic statistical physics through contemporary models of high energy particle matter.  Based on the...

  10. The human factor in operation and maintenance of complex high-reliability systems

    International Nuclear Information System (INIS)

    Ryan, T.G.

    1989-01-01

    Human factors issues in probabilistic risk assessment (PRAs) of complex high-reliability systems are addressed. These PRAs influence system operation and technical support programs such as maintainability, test, and surveillance. Using the U.S. commercial nuclear power industry as the setting, the paper addresses the manner in which PRAs currently treat human performance, the state of quantification methods and source data for analyzing human performance, and the role of human factors specialist in the analysis. The paper concludes with a presentation of TALENT, an emerging concept for fully integrating broad-based human factors expertise into the PRA process, is presented. 47 refs

  11. Shielding considerations for an electron linear accelerator complex for high energy physics and photonics research

    International Nuclear Information System (INIS)

    Holmes, J.A.; Huntzinger, C.J.

    1987-01-01

    Radiation shielding considerations for a major high-energy physics and photonics research complex which comprise a 50 MeV electron linear accelerator injector, a 1.0 GeV electron linear accelerator and a 1.3 GeV storage ring are discussed. The facilities will be unique because of the close proximity of personnel to the accelerator beam lines, the need to adapt existing facilities and shielding materials and the application of strict ALARA dose guidelines while providing maximum access and flexibility during a phased construction program

  12. High-resolution AFM topographs of Rubrivivax gelatinosus light-harvesting complex LH2

    Science.gov (United States)

    Scheuring, Simon; Reiss-Husson, Francoise; Engel, Andreas; Rigaud, Jean-Louis; Ranck, Jean-Luc

    2001-01-01

    Light-harvesting complexes 2 (LH2) are the accessory antenna proteins in the bacterial photosynthetic apparatus and are built up of αβ-heterodimers containing three bacteriochlorophylls and one carotenoid each. We have used atomic force microscopy (AFM) to investigate reconstituted LH2 from Rubrivivax gelatinosus, which has a C-terminal hydrophobic extension of 21 amino acids on the α-subunit. High-resolution topographs revealed a nonameric organization of the regularly packed cylindrical complexes incorporated into the membrane in both orientations. Native LH2 showed one surface which protruded by ∼6 Å and one that protruded by ∼14 Å from the membrane. Topographs of samples reconstituted with thermolysin-digested LH2 revealed a height reduction of the strongly protruding surface to ∼9 Å, and a change of its surface appearance. These results suggested that the α-subunit of R.gelatinosus comprises a single transmembrane helix and an extrinsic C-terminus, and allowed the periplasmic surface to be assigned. Occasionally, large rings (∼120 Å diameter) surrounded by LH2 rings were observed. Their diameter and appearance suggest the large rings to be LH1 complexes. PMID:11406579

  13. Local likelihood estimation of complex tail dependence structures in high dimensions, applied to US precipitation extremes

    KAUST Repository

    Camilo, Daniela Castro

    2017-10-02

    In order to model the complex non-stationary dependence structure of precipitation extremes over the entire contiguous U.S., we propose a flexible local approach based on factor copula models. Our sub-asymptotic spatial modeling framework yields non-trivial tail dependence structures, with a weakening dependence strength as events become more extreme, a feature commonly observed with precipitation data but not accounted for in classical asymptotic extreme-value models. To estimate the local extremal behavior, we fit the proposed model in small regional neighborhoods to high threshold exceedances, under the assumption of local stationarity. This allows us to gain in flexibility, while making inference for such a large and complex dataset feasible. Adopting a local censored likelihood approach, inference is made on a fine spatial grid, and local estimation is performed taking advantage of distributed computing resources and of the embarrassingly parallel nature of this estimation procedure. The local model is efficiently fitted at all grid points, and uncertainty is measured using a block bootstrap procedure. An extensive simulation study shows that our approach is able to adequately capture complex, non-stationary dependencies, while our study of U.S. winter precipitation data reveals interesting differences in local tail structures over space, which has important implications on regional risk assessment of extreme precipitation events. A comparison between past and current data suggests that extremes in certain areas might be slightly wider in extent nowadays than during the first half of the twentieth century.

  14. Highly Fluorescent Group 13 Metal Complexes with Cyclic, Aromatic Hydroxamic Acid Ligands

    Energy Technology Data Exchange (ETDEWEB)

    Seitz, Michael; Moore, Evan G.; Raymond, Kenneth N.

    2008-02-11

    The neutral complexes of two ligands based on the 1-oxo-2-hydroxy-isoquinoline (1,2-HOIQO) motif with group 13 metals (Al, Ga, In) show bright blue-violet luminescence in organic solvents. The corresponding transition can be attributed to ligand-centered singlet emission, characterized by a small Stokes shifts of only a few nm combined with lifetimes in the range between 1-3 ns. The fluorescence efficiency is high, with quantum yields of up to 37% in benzene solution. The crystal structure of one of the indium(III) complexes (trigonal space group R-3, a = b = 13.0384(15) {angstrom}, c = 32.870(8) {angstrom}, ? = {beta} = 90{sup o}, {gamma} = 120{sup o}, V = 4839.3(14) {angstrom}{sup 3}, Z = 6) shows a six-coordinate geometry around the indium center which is close to trigonal-prismatic, with a twist angle between the two trigonal faces of 20.7{sup o}. Time-dependent density functional theory (TD-DFT) calculations (Al and Ga: B3LYP/6-31G(d)); In: B3LYP/LANL2DZ of the fac and mer isomers with one of the two ligands indicate that there is no clear preference for either one of the isomeric forms of the metal complexes. In addition, the metal centers do not have a significant influence on the electronic structure, and as a consequence, on the predominant intraligand optical transitions.

  15. Efficient Simulation Modeling of an Integrated High-Level-Waste Processing Complex

    International Nuclear Information System (INIS)

    Gregory, Michael V.; Paul, Pran K.

    2000-01-01

    An integrated computational tool named the Production Planning Model (ProdMod) has been developed to simulate the operation of the entire high-level-waste complex (HLW) at the Savannah River Site (SRS) over its full life cycle. ProdMod is used to guide SRS management in operating the waste complex in an economically efficient and environmentally sound manner. SRS HLW operations are modeled using coupled algebraic equations. The dynamic nature of plant processes is modeled in the form of a linear construct in which the time dependence is implicit. Batch processes are modeled in discrete event-space, while continuous processes are modeled in time-space. The ProdMod methodology maps between event-space and time-space such that the inherent mathematical discontinuities in batch process simulation are avoided without sacrificing any of the necessary detail in the batch recipe steps. Modeling the processes separately in event- and time-space using linear constructs, and then coupling the two spaces, has accelerated the speed of simulation compared to a typical dynamic simulation. The ProdMod simulator models have been validated against operating data and other computer codes. Case studies have demonstrated the usefulness of the ProdMod simulator in developing strategies that demonstrate significant cost savings in operating the SRS HLW complex and in verifying the feasibility of newly proposed processes

  16. A charge transfer complex nematic liquid crystalline gel with high electrical conductivity

    International Nuclear Information System (INIS)

    Bhargavi, R.; Nair, Geetha G.; Krishna Prasad, S.; Majumdar, R.; Bag, Braja G.

    2014-01-01

    We describe the rheological, dielectric and elastic properties of a nematic liquid crystal gel created using an anthrylidene derivative of arjunolic acid, a chiral triterpenoid, obtained from the extracts of the wood of Terminalia arjuna. In this novel gel, having the electron-donor and acceptor components as minority constituents, the gelation and strengthening of charge-transfer complex (CTC) formation are seen to be occurring concomitantly. In addition to being mechanically strong with a large storage modulus, the gel with the maximized CTC exhibits Frank bend elastic constant values that approach nanonewton levels. The highlight of the study is the observation of 4–5 orders of magnitude increase in electrical conductivity for this gel, a value that is higher than even in the CT complexes of 2-d ordered columnar structures. A further important advantage of the present system over the columnar complex is that the high conductivity is seen for ac probing also, and owing to the nematic nature can be switched between its anisotropic limits. Some of these features are ascribed to a specific molecular packing architecture, which reduces the trapping of the charge carriers.

  17. A charge transfer complex nematic liquid crystalline gel with high electrical conductivity

    Science.gov (United States)

    Bhargavi, R.; Nair, Geetha G.; Krishna Prasad, S.; Majumdar, R.; Bag, Braja G.

    2014-10-01

    We describe the rheological, dielectric and elastic properties of a nematic liquid crystal gel created using an anthrylidene derivative of arjunolic acid, a chiral triterpenoid, obtained from the extracts of the wood of Terminalia arjuna. In this novel gel, having the electron-donor and acceptor components as minority constituents, the gelation and strengthening of charge-transfer complex (CTC) formation are seen to be occurring concomitantly. In addition to being mechanically strong with a large storage modulus, the gel with the maximized CTC exhibits Frank bend elastic constant values that approach nanonewton levels. The highlight of the study is the observation of 4-5 orders of magnitude increase in electrical conductivity for this gel, a value that is higher than even in the CT complexes of 2-d ordered columnar structures. A further important advantage of the present system over the columnar complex is that the high conductivity is seen for ac probing also, and owing to the nematic nature can be switched between its anisotropic limits. Some of these features are ascribed to a specific molecular packing architecture, which reduces the trapping of the charge carriers.

  18. High pressure study of viscosity effects on the luminescence of tetracyanobenzene EDA complexes

    Science.gov (United States)

    Thomas, Michele Moisio; Drickamer, H. G.

    1981-03-01

    High pressure fluorescence studies fron 0-10 kbar have been performed on electron donor-acceptor (EDA) complexes of s-tetracyanobenzene (TCNB) with a series of aromatic hydrocarbons. Four solvents were used, 2,2,4,4,6,8,8 heptamethylnonane (HMN), methylcyclohexane (MCH), 2,6,10,14 tetramethylpentadecane (TMPD), and a mixture of MCH and HMN. A viscosity range from 0.006 to 10 000 poise was covered at constant temperature. As pressure (viscosity) increased the fluorescence spectrum shifted from one dominated by emission from the equilibrium (EQ) excited singlet state to one dominated by Franck-Condon (FC) singlet emission. Lifetime measurements for the complexes of o-xylene and p-xylene with TCNB as well as one mesitylene complex yielded the two radiative rates (kEQ and kFC) as well as the rate of internal conversion from FC to the EQ excited state to (kIC). The results are discussed in terms of the rate of relaxation of the solvent compared with the rate kFC. It was found that kIC correlated very well with the solvent viscosity.

  19. Local likelihood estimation of complex tail dependence structures in high dimensions, applied to US precipitation extremes

    KAUST Repository

    Camilo, Daniela Castro; Huser, Raphaë l

    2017-01-01

    In order to model the complex non-stationary dependence structure of precipitation extremes over the entire contiguous U.S., we propose a flexible local approach based on factor copula models. Our sub-asymptotic spatial modeling framework yields non-trivial tail dependence structures, with a weakening dependence strength as events become more extreme, a feature commonly observed with precipitation data but not accounted for in classical asymptotic extreme-value models. To estimate the local extremal behavior, we fit the proposed model in small regional neighborhoods to high threshold exceedances, under the assumption of local stationarity. This allows us to gain in flexibility, while making inference for such a large and complex dataset feasible. Adopting a local censored likelihood approach, inference is made on a fine spatial grid, and local estimation is performed taking advantage of distributed computing resources and of the embarrassingly parallel nature of this estimation procedure. The local model is efficiently fitted at all grid points, and uncertainty is measured using a block bootstrap procedure. An extensive simulation study shows that our approach is able to adequately capture complex, non-stationary dependencies, while our study of U.S. winter precipitation data reveals interesting differences in local tail structures over space, which has important implications on regional risk assessment of extreme precipitation events. A comparison between past and current data suggests that extremes in certain areas might be slightly wider in extent nowadays than during the first half of the twentieth century.

  20. Snow cover dynamics and water balance in complex high alpine terrain

    Science.gov (United States)

    Warscher, Michael; Kraller, Gabriele; Kunstmann, Harald; Strasser, Ulrich; Franz, Helmut

    2010-05-01

    The water balance in high alpine regions in its full complexity is so far insufficiently understood. High altitudinal gradients, a strong variability of meteorological variables in time and space, complex hydrogeological situations, unquantified lateral snow transport processes and heterogenous snow cover dynamics result in high uncertainties in the quantification of the water balance. To achieve interpretable modeling results we have complemented the deterministic hydrological model WaSiM-ETH with the high-alpine specific snow model AMUNDSEN. The integration of the new snow module was done to improve the modeling of water fluxes influenced by the dynamics of the snow cover, which greatly affect the water cycle in high alpine regions. To enhance the reproduction of snow deposition and ablation processes, the new approach calculates the energy balance of the snow cover considering the terrain-dependent radiation fluxes, the interaction between tree canopy and snow cover as well as lateral snow transport processes. The test site for our study is the Berchtesgaden National Park which is characterized by an extreme topography with mountain ranges covering an altitude from 607 to 2713 m.a.s.l. About one quarter of the investigated catchment area, which comprises 433 km² in total, is terrain steeper than 35°. Due to water soluble limestone being predominant in the region, a high number of subsurface water pathways (karst) exist. The results of several tracer experiments and extensive data of spring observations provide additional information to meet the challenge of modeling the unknown subsurface pathways and the complex groundwater system of the region. The validation of the new snow module is based on a dense network of meteorological stations which have been adapted to measure physical properties of the snow cover like snow water equivalent and liquid water content. We will present first results which show that the integration of the new snow module generates a

  1. High resolution simulations of orographic flow over a complex terrain on the Southeast coast of Brazil

    Science.gov (United States)

    Chou, S. C.; Zolino, M. M.; Gomes, J. L.; Bustamante, J. F.; Lima-e-Silva, P. P.

    2012-04-01

    The Eta Model is used operationally by CPTEC to produce weather forecasts over South America since 1997. The model has gone through upgrades. In order to prepare the model for operational higher resolution forecasts, the model is configured and tested over a region of complex topography located near the coast of Southeast Brazil. The Eta Model was configured, with 2-km horizontal resolution and 50 layers. The Eta-2km is a second nesting, it is driven by Eta-15km, which in its turn is driven by Era-Interim reanalyses. The model domain includes the two Brazilians cities, Rio de Janeiro and Sao Paulo, urban areas, preserved tropical forest, pasture fields, and complex terrain and coastline. Mountains can rise up to about 700m. The region suffers frequent events of floods and landslides. The objective of this work is to evaluate high resolution simulations of wind and temperature in this complex area. Verification of model runs uses observations taken from the nuclear power plant. Accurate near-surface wind direction and magnitude are needed for the plant emergency plan and winds are highly sensitive to model spatial resolution and atmospheric stability. Verification of two cases during summer shows that model has clear diurnal cycle signal for wind in that region. The area is characterized by weak winds which makes the simulation more difficult. The simulated wind magnitude is about 1.5m/s, which is close to observations of about 2m/s; however, the observed change of wind direction of the sea breeze is fast whereas it is slow in the simulations. Nighttime katabatic flow is captured by the simulations. Comparison against Eta-5km runs show that the valley circulation is better described in the 2-km resolution run. Simulated temperatures follow closely the observed diurnal cycle. Experiments improving some surface conditions such as the surface temperature and land cover show simulation error reduction and improved diurnal cycle.

  2. Enhanced Enzymatic Production of Cephalexin at High Substrate Concentration with in situ Product Removal by Complexation

    Directory of Open Access Journals (Sweden)

    Dengchao Li

    2008-01-01

    Full Text Available Cephalexin (CEX was synthesized with 7-amino-3-deacetoxycephalosporanic acid (7-ADCA and D(–-phenylglycine methyl ester (PGME using immobilized penicillin G acylase from Escherichia coli. It was found that substrate concentration and in situ product could remarkably influence the ratio of synthesis to hydrolysis (S/H and the efficiency of CEX synthesis. The optimal ratio of enzyme to substrate was 65 IU/mM 7-ADCA. High substrate concentration improved the 7-ADCA conversion from 61 to 81 % in the process without in situ product removal (ISPR, while in the synthetic process with ISPR, high substrate concentration increased the 7-ADCA conversion from 88 to 98 %. CEX was easily separated from CEX/β-naphthol complex and its purity and overall yield were 99 and 70 %, respectively.

  3. High spin-filter efficiency and Seebeck effect through spin-crossover iron–benzene complex

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Qiang; Zhou, Liping, E-mail: zhoulp@suda.edu.cn; Cheng, Jue-Fei; Wen, Zhongqian; Han, Qin; Wang, Xue-Feng [College of Physics, Optoelectronics and Energy and Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215006 (China)

    2016-04-21

    Electronic structures and coherent quantum transport properties are explored for spin-crossover molecule iron-benzene Fe(Bz){sub 2} using density functional theory combined with non-equilibrium Green’s function. High- and low-spin states are investigated for two different lead-molecule junctions. It is found that the asymmetrical T-shaped contact junction in the high-spin state behaves as an efficient spin filter while it has a smaller conductivity than that in the low-spin state. Large spin Seebeck effect is also observed in asymmetrical T-shaped junction. Spin-polarized properties are absent in the symmetrical H-shaped junction. These findings strongly suggest that both the electronic and contact configurations play significant roles in molecular devices and metal-benzene complexes are promising materials for spintronics and thermo-spintronics.

  4. Li4FeH6: Iron-containing complex hydride with high gravimetric hydrogen density

    Directory of Open Access Journals (Sweden)

    Hiroyuki Saitoh

    2014-07-01

    Full Text Available Li4FeH6, which has the highest gravimetric hydrogen density of iron-containing complex hydrides reported so far, is synthesized by hydrogenation of a powder mixture of iron and LiH above 6.1 GPa at 900 °C. In situ synchrotron radiation X-ray diffraction measurements reveal that while kinetics require high temperature and thus high pressure for the synthesis, Li4FeH6 is expected to be thermodynamically stable slightly below room temperature at ambient pressure; further synthetic studies to suppress the kinetic effects may enable us to synthesize Li4FeH6 at moderate pressures. Li4FeH6 can be recovered at ambient conditions where Li4FeH6 is metastable.

  5. High-resolution metagenomics targets major functional types in complex microbial communities

    Energy Technology Data Exchange (ETDEWEB)

    Kalyuzhnaya, Marina G.; Lapidus, Alla; Ivanova, Natalia; Copeland, Alex C.; McHardy, Alice C.; Szeto, Ernest; Salamov, Asaf; Grigoriev, Igor V.; Suciu, Dominic; Levine, Samuel R.; Markowitz, Victor M.; Rigoutsos, Isidore; Tringe, Susannah G.; Bruce, David C.; Richardson, Paul M.; Lidstrom, Mary E.; Chistoserdova, Ludmila

    2009-08-01

    Most microbes in the biosphere remain uncultured and unknown. Whole genome shotgun (WGS) sequencing of environmental DNA (metagenomics) allows glimpses into genetic and metabolic potentials of natural microbial communities. However, in communities of high complexity metagenomics fail to link specific microbes to specific ecological functions. To overcome this limitation, we selectively targeted populations involved in oxidizing single-carbon (C{sub 1}) compounds in Lake Washington (Seattle, USA) by labeling their DNA via stable isotope probing (SIP), followed by WGS sequencing. Metagenome analysis demonstrated specific sequence enrichments in response to different C{sub 1} substrates, highlighting ecological roles of individual phylotypes. We further demonstrated the utility of our approach by extracting a nearly complete genome of a novel methylotroph Methylotenera mobilis, reconstructing its metabolism and conducting genome-wide analyses. This approach allowing high-resolution genomic analysis of ecologically relevant species has the potential to be applied to a wide variety of ecosystems.

  6. Thermophilic anaerobes in arctic marine sediments induced to mineralize complex organic matter at high temperature

    DEFF Research Database (Denmark)

    Hubert, Casey; Arnosti, Carol; Brüchert, Volker

    2010-01-01

    Marine sediments harbour diverse populations of dormant thermophilic bacterial spores that become active in sediment incubation experiments at much higher than in situ temperature. This response was investigated in the presence of natural complex organic matter in sediments of two Arctic fjords......, as well as with the addition of freeze-dried Spirulina or individual high-molecular-weight polysaccharides. During 50°C incubation experiments, Arctic thermophiles catalysed extensive mineralization of the organic matter via extracellular enzymatic hydrolysis, fermentation and sulfate reduction. This high...... reactivity determined the extent of the thermophilic response. Fjord sediments with higher in situ SRR also supported higher SRR at 50°C. Amendment with Spirulina significantly increased volatile fatty acids production and SRR relative to unamended sediment in 50°C incubations. Spirulina amendment also...

  7. High-contrast imager for Complex Aperture Telescopes (HiCAT): testbed design and coronagraph developments

    Science.gov (United States)

    N'Diaye, Mamadou; Choquet, E.; Pueyo, L.; Elliot, E.; Perrin, M. D.; Wallace, J.; Anderson, R. E.; Carlotti, A.; Groff, T. D.; Hartig, G. F.; Kasdin, J.; Lajoie, C.; Levecq, O.; Long, C.; Macintosh, B.; Mawet, D.; Norman, C. A.; Shaklan, S.; Sheckells, M.; Sivaramakrishnan, A.; Soummer, R.

    2014-01-01

    We present a new high-contrast imaging testbed designed to provide complete solutions for wavefront sensing and control and starlight suppression with complex aperture telescopes (NASA APRA; Soummer PI). This includes geometries with central obstruction, support structures, and/or primary mirror segmentation. Complex aperture telescopes are often associated with large telescope designs, which are considered for future space missions. However, these designs makes high-contrast imaging challenging because of additional diffraction features in the point spread function. We present a novel optimization approach for the testbed optical and opto-mechanical design that minimizes the impact of both phase and amplitude errors from the wave propagation of testbed optics surface errors. This design approach allows us to define the specification for the bench optics, which we then compare to the manufactured parts. We discuss the testbed alignment and first results. We also present our coronagraph design for different testbed pupil shapes (AFTA or ATLAST), which involves a new method for the optimization of Apodized Pupil Lyot Coronagraphs (APLC).

  8. Computational Strategies for Dissecting the High-Dimensional Complexity of Adaptive Immune Repertoires

    Directory of Open Access Journals (Sweden)

    Enkelejda Miho

    2018-02-01

    Full Text Available The adaptive immune system recognizes antigens via an immense array of antigen-binding antibodies and T-cell receptors, the immune repertoire. The interrogation of immune repertoires is of high relevance for understanding the adaptive immune response in disease and infection (e.g., autoimmunity, cancer, HIV. Adaptive immune receptor repertoire sequencing (AIRR-seq has driven the quantitative and molecular-level profiling of immune repertoires, thereby revealing the high-dimensional complexity of the immune receptor sequence landscape. Several methods for the computational and statistical analysis of large-scale AIRR-seq data have been developed to resolve immune repertoire complexity and to understand the dynamics of adaptive immunity. Here, we review the current research on (i diversity, (ii clustering and network, (iii phylogenetic, and (iv machine learning methods applied to dissect, quantify, and compare the architecture, evolution, and specificity of immune repertoires. We summarize outstanding questions in computational immunology and propose future directions for systems immunology toward coupling AIRR-seq with the computational discovery of immunotherapeutics, vaccines, and immunodiagnostics.

  9. Mining Very High Resolution INSAR Data Based On Complex-GMRF Cues And Relevance Feedback

    Science.gov (United States)

    Singh, Jagmal; Popescu, Anca; Soccorsi, Matteo; Datcu, Mihai

    2012-01-01

    With the increase in number of remote sensing satellites, the number of image-data scenes in our repositories is also increasing and a large quantity of these scenes are never received and used. Thus automatic retrieval of de- sired image-data using query by image content to fully utilize the huge repository volume is becoming of great interest. Generally different users are interested in scenes containing different kind of objects and structures. So its important to analyze all the image information mining (IIM) methods so that its easier for user to select a method depending upon his/her requirement. We concentrate our study only on high-resolution SAR images and we propose to use InSAR observations instead of only one single look complex (SLC) images for mining scenes containing coherent objects such as high-rise buildings. However in case of objects with less coherence like areas with vegetation cover, SLC images exhibits better performance. We demonstrate IIM performance comparison using complex-Gauss Markov Random Fields as texture descriptor for image patches and SVM relevance- feedback.

  10. Wall modeled large eddy simulations of complex high Reynolds number flows with synthetic inlet turbulence

    International Nuclear Information System (INIS)

    Patil, Sunil; Tafti, Danesh

    2012-01-01

    Highlights: ► Large eddy simulation. ► Wall layer modeling. ► Synthetic inlet turbulence. ► Swirl flows. - Abstract: Large eddy simulations of complex high Reynolds number flows are carried out with the near wall region being modeled with a zonal two layer model. A novel formulation for solving the turbulent boundary layer equation for the effective tangential velocity in a generalized co-ordinate system is presented and applied in the near wall zonal treatment. This formulation reduces the computational time in the inner layer significantly compared to the conventional two layer formulations present in the literature and is most suitable for complex geometries involving body fitted structured and unstructured meshes. The cost effectiveness and accuracy of the proposed wall model, used with the synthetic eddy method (SEM) to generate inlet turbulence, is investigated in turbulent channel flow, flow over a backward facing step, and confined swirling flows at moderately high Reynolds numbers. Predictions are compared with available DNS, experimental LDV data, as well as wall resolved LES. In all cases, there is at least an order of magnitude reduction in computational cost with no significant loss in prediction accuracy.

  11. [Predicting individual risk of high healthcare cost to identify complex chronic patients].

    Science.gov (United States)

    Coderch, Jordi; Sánchez-Pérez, Inma; Ibern, Pere; Carreras, Marc; Pérez-Berruezo, Xavier; Inoriza, José M

    2014-01-01

    To develop a predictive model for the risk of high consumption of healthcare resources, and assess the ability of the model to identify complex chronic patients. A cross-sectional study was performed within a healthcare management organization by using individual data from 2 consecutive years (88,795 people). The dependent variable consisted of healthcare costs above the 95th percentile (P95), including all services provided by the organization and pharmaceutical consumption outside of the institution. The predictive variables were age, sex, morbidity-based on clinical risk groups (CRG)-and selected data from previous utilization (use of hospitalization, use of high-cost drugs in ambulatory care, pharmaceutical expenditure). A univariate descriptive analysis was performed. We constructed a logistic regression model with a 95% confidence level and analyzed sensitivity, specificity, positive predictive values (PPV), and the area under the ROC curve (AUC). Individuals incurring costs >P95 accumulated 44% of total healthcare costs and were concentrated in ACRG3 (aggregated CRG level 3) categories related to multiple chronic diseases. All variables were statistically significant except for sex. The model had a sensitivity of 48.4% (CI: 46.9%-49.8%), specificity of 97.2% (CI: 97.0%-97.3%), PPV of 46.5% (CI: 45.0%-47.9%), and an AUC of 0.897 (CI: 0.892 to 0.902). High consumption of healthcare resources is associated with complex chronic morbidity. A model based on age, morbidity, and prior utilization is able to predict high-cost risk and identify a target population requiring proactive care. Copyright © 2013 SESPAS. Published by Elsevier Espana. All rights reserved.

  12. Hybrid Complexes of High and Low Molecular Weight Hyaluronans Highly Enhance HASCs Differentiation: Implication for Facial Bioremodelling

    Directory of Open Access Journals (Sweden)

    Antonietta Stellavato

    2017-11-01

    Full Text Available Background/Aims: Adipose-derived Stem Cells (ASCs are used in Regenerative Medicine, including fat grafting, recovery from local tissue ischemia and scar remodeling. The aim of this study was to evaluate hyaluronan based gel effects on ASCs differentiation and proliferation. Methods: Comparative analyses using high (H and low (L molecular weight hyaluronans (HA, hyaluronan hybrid cooperative complexes (HCCs, and high and medium cross-linked hyaluronan based dermal fillers were performed. Human ASCs were characterized by flow cytometry using CD90, CD34, CD105, CD29, CD31, CD45 and CD14 markers. Then, cells were treated for 7, 14 and 21 days with hyaluronans. Adipogenic differentiation was evaluated using Oil red-O staining and expression of leptin, PPAR-γ, LPL and adiponectin using qRT-PCR. Adiponectin was analyzed by immunofluorescence, PPAR-γ and adiponectin were analyzed using western blotting. ELISA assays for adiponectin and leptin were performed. Results: HCCs highly affected ASCs differentiation by up-regulating adipogenic genes and related proteins, that were also secreted in the culture medium. H-HA and L-HA induced a lower level of ASCs differentiation. Conclusion: HCCs-based formulations clearly enhance adipogenic differentiation and proliferation, when compared with linear HA and cross-linked hyaluronans. Injection of HCCs in subdermal fat compartment may recruit and differentiate stem cells in adipocytes, and considerably improving fat tissue renewal.

  13. High-Resolution Patterns of Meiotic Recombination across the Human Major Histocompatibility Complex

    Science.gov (United States)

    Cullen, Michael; Perfetto, Stephen P.; Klitz, William; Nelson, George; Carrington, Mary

    2002-01-01

    Definitive characteristics of meiotic recombination events over large (i.e., >1 Mb) segments of the human genome remain obscure, yet they are essential for establishing the haplotypic structure of the genome and for efficient mapping of complex traits. We present a high-resolution map of recombination at the kilobase level across a 3.3-Mb interval encompassing the major histocompatibility complex (MHC). Genotyping of 20,031 single sperm from 12 individuals resulted in the identification and fine mapping of 325 recombinant chromosomes within genomic intervals as small as 7 kb. Several principal characteristics of recombination in this region were observed: (1) rates of recombination can differ significantly between individuals; (2) intense hot spots of recombination occur at least every 0.8 Mb but are not necessarily evenly spaced; (3) distribution in the location of recombination events can differ significantly among individuals; (4) between hot spots, low levels of recombination occur fairly evenly across 100-kb segments, suggesting the presence of warm spots of recombination; and (5) specific sequence motifs associate significantly with recombination distribution. These data provide a plausible model for recombination patterns of the human genome overall. PMID:12297984

  14. High pressure study of viscosity and temperature effects on tetracyanobenzene EDA complexes

    Science.gov (United States)

    Thomas, Michele Moisio; Drickamer, H. G.

    1981-12-01

    High pressure fluorescence studies from 0-10 kbar have been performed on electron donor-acceptor (EDA) complexes of s-tetracyanobenzene (TCNB) with a series of aromatic hydrocarbons. Four solvents were used: 2,2,4,4,6,8,8-heptamethylnonane (HMN), methylcyclohexane (MCH), 2,6,10,14-tetramethylpentadecane (TMPD), and a mixture of MCH and HMN. A viscosity range from 0.006 to 10 000 P was covered at two temperatures: 0 and 25 °C. As pressure (viscosity) increased the fluorescence spectrum shifted from one dominated by emission from the equilibrium (EQ) excited singlet state to one dominated by Franck-Condon (FC) singlet emission. Lifetime measurements for the complexes of o-xylene and p-xylene with TCNB yielded the two radiative rates (kEQ and kFC) as well as the rate of relaxation from FC to the EQ excited state (kRE). kRE was found to correlate well with viscosity and to be independent of temperature at constant viscosity, indicating that the relaxation process is diffusion controlled.

  15. Molecular nanomagnets: Syntheses and characterization of high nuclearity transition metal complexes

    Science.gov (United States)

    Foguet-Albiol, Maria D.

    2006-12-01

    High nuclearity transition metal complexes have attracted a lot of attention because of their aesthetically pleasant structures and/or their potential applications. The fusion of the world of magnetism with the exciting research in physics and chemistry led to the realization of interesting types of materials that can function as nanoscale magnetic particles. The study of the magnetism of inorganic complexes and especially the study of these molecular nanomagnets (or single-molecule magnets, SMMs) is a field that has generated intense interest in the scientific community. Interest in these molecular nanomagnets arises as part of a broader investigation of nanomagnetism (and nanotechnology), as these represent the ultimate step in device miniaturization. The primary purpose of this dissertation is the development of new synthetic methods intended for the preparation of novel single-molecule magnets (SMMs). The definition of the "bottom-up approach" is to increase the size of molecules by adding new magnetic centers; this is attractive but does not actually reflect how the chemistry takes place. Various strategies have been employed in developing the aforementioned synthetic methods which include the use of mononuclear as well as preformed clusters as starting materials; and the introduction of new alcohol based ligands as N-methyldiethanolamine (mdaH2) and triethanolamine (teaH3), since currently only a few alcohol based ligands have been used by different research groups. Many of these efforts have led to the isolation of new polynuclear Mn clusters with nuclearities ranging all the way from four to thirty-one. Additionally, a family of related Fe7 complexes has been synthesized. The transition metal cluster chemistry has also been extended to nickel-containing species. Many of these polynulear transition metal complexes function as single-molecule magnets. An additional research direction discussed herein is the study of the exchange-coupled dimer of single

  16. Chaotic dynamics with high complexity in a simplified new nonautonomous nonlinear electronic circuit

    International Nuclear Information System (INIS)

    Arulgnanam, A.; Thamilmaran, K.; Daniel, M.

    2009-01-01

    A two dimensional nonautonomous dissipative forced series LCR circuit with a simple nonlinear element exhibiting an immense variety of dynamical features is proposed for the first time. Unlike the usual cases of nonlinear element, the nonlinear element used here possesses three segment piecewise linear character with one positive and one negative slope. This nonlinearity is verified to be sufficient to produce chaos with high complexity in many established nonautonomous nonlinear circuits, such as MLC, MLCV, driven Chua, etc., thus indicating an universal behavior similar to the familiar Chua's diode. The dynamics of the proposed circuit is studied experimentally, confirmed numerically, simulated through PSPICE and proved mathematically. An important feature of the circuit is its ability to show dual chaotic behavior.

  17. Low Complexity Encoder of High Rate Irregular QC-LDPC Codes for Partial Response Channels

    Directory of Open Access Journals (Sweden)

    IMTAWIL, V.

    2011-11-01

    Full Text Available High rate irregular QC-LDPC codes based on circulant permutation matrices, for efficient encoder implementation, are proposed in this article. The structure of the code is an approximate lower triangular matrix. In addition, we present two novel efficient encoding techniques for generating redundant bits. The complexity of the encoder implementation depends on the number of parity bits of the code for the one-stage encoding and the length of the code for the two-stage encoding. The advantage of both encoding techniques is that few XOR-gates are used in the encoder implementation. Simulation results on partial response channels also show that the BER performance of the proposed code has gain over other QC-LDPC codes.

  18. Task Phase Recognition for Highly Mobile Workers in Large Building Complexes

    DEFF Research Database (Denmark)

    Stisen, Allan; Mathisen, Andreas; Krogh, Søren

    2016-01-01

    requirements on the accuracy of the indoor positioning, and thus come with low deployment and maintenance effort in real-world settings. We evaluated the proposed methods in a large hospital complex, where the highly mobile workers were recruited among the non-clinical workforce. The evaluation is based......-scale indoor work environments, namely from a WiFi infrastructure providing coarse grained indoor positioning, from inertial sensors in the workers’ mobile phones, and from a task management system yielding information about the scheduled tasks’ start and end locations. The methods presented have low...... on manually labelled real-world data collected over 4 days of regular work life of the mobile workforce. The collected data yields 83 tasks in total involving 8 different orderlies from a major university hospital with a building area of 160, 000 m2. The results show that the proposed methods can distinguish...

  19. DEVELOPMENT OF COMPLEXITY, ACCURACY, AND FLUENCY IN HIGH SCHOOL STUDENTS’ WRITTEN FOREIGN LANGUAGE PRODUCTION

    Directory of Open Access Journals (Sweden)

    Bouchaib Benzehaf

    2016-11-01

    Full Text Available The present study aims to longitudinally depict the dynamic and interactive development of Complexity, Accuracy, and Fluency (CAF in multilingual learners’ L2 and L3 writing. The data sources include free writing tasks written in L2 French and L3 English by 45 high school participants over a period of four semesters. CAF dimensions are measured using a variation of Hunt’s T-units (1964. Analysis of the quantitative data obtained suggests that CAF measures develop differently for learners’ L2 French and L3 English. They increase more persistently in L3 English, and they display the characteristics of a dynamic, non-linear system characterized by ups and downs particularly in L2 French. In light of the results, we suggest more and denser longitudinal data to explore the nature of interactions between these dimensions in foreign language development, particularly at the individual level.

  20. On the reduced-complexity of LDPC decoders for ultra-high-speed optical transmission.

    Science.gov (United States)

    Djordjevic, Ivan B; Xu, Lei; Wang, Ting

    2010-10-25

    We propose two reduced-complexity (RC) LDPC decoders, which can be used in combination with large-girth LDPC codes to enable ultra-high-speed serial optical transmission. We show that optimally attenuated RC min-sum sum algorithm performs only 0.46 dB (at BER of 10(-9)) worse than conventional sum-product algorithm, while having lower storage memory requirements and much lower latency. We further study the use of RC LDPC decoding algorithms in multilevel coded modulation with coherent detection and show that with RC decoding algorithms we can achieve the net coding gain larger than 11 dB at BERs below 10(-9).

  1. Complex demodulation in VLBI estimation of high frequency Earth rotation components

    Science.gov (United States)

    Böhm, S.; Brzeziński, A.; Schuh, H.

    2012-12-01

    The spectrum of high frequency Earth rotation variations contains strong harmonic signal components mainly excited by ocean tides along with much weaker non-harmonic fluctuations driven by irregular processes like the diurnal thermal tides in the atmosphere and oceans. In order to properly investigate non-harmonic phenomena a representation in time domain is inevitable. We present a method, operating in time domain, which is easily applicable within Earth rotation estimation from Very Long Baseline Interferometry (VLBI). It enables the determination of diurnal and subdiurnal variations, and is still effective with merely diurnal parameter sampling. The features of complex demodulation are used in an extended parameterization of polar motion and universal time which was implemented into a dedicated version of the Vienna VLBI Software VieVS. The functionality of the approach was evaluated by comparing amplitudes and phases of harmonic variations at tidal periods (diurnal/semidiurnal), derived from demodulated Earth rotation parameters (ERP), estimated from hourly resolved VLBI ERP time series and taken from a recently published VLBI ERP model to the terms of the conventional model for ocean tidal effects in Earth rotation recommended by the International Earth Rotation and Reference System Service (IERS). The three sets of tidal terms derived from VLBI observations extensively agree among each other within the three-sigma level of the demodulation approach, which is below 6 μas for polar motion and universal time. They also coincide in terms of differences to the IERS model, where significant deviations primarily for several major tidal terms are apparent. An additional spectral analysis of the as well estimated demodulated ERP series of the ter- and quarterdiurnal frequency bands did not reveal any significant signal structure. The complex demodulation applied in VLBI parameter estimation could be demonstrated a suitable procedure for the reliable reproduction of

  2. Structural insights into a high affinity nanobody:antigen complex by homology modelling.

    Science.gov (United States)

    Skottrup, Peter Durand

    2017-09-01

    Porphyromonas gingivalis is a major periodontitis-causing pathogens. P. gingivalis secrete a cysteine protease termed RgpB, which is specific for Arg-Xaa bonds in substrates. Recently, a nanobody-based assay was used to demonstrate that RgpB could represent a novel diagnostic target, thereby simplifying. P. gingivalis detection. The nanobody, VHH7, had a high binding affinity and was specific for RgpB, when tested towards the highly identical RgpA. In this study a homology model of VHH7 was build. The complementarity determining regions (CDR) comprising the paratope residues responsible for RgpB binding were identified and used as input to the docking. Furthermore, residues likely involved in the RgpB epitope was identified based upon RgpB:RgpA alignment and analysis of residue surface accessibility. CDR residues and putitative RgpB epitope residues were used as input to an information-driven flexible docking approach using the HADDOCK server. Analysis of the VHH7:RgpB model demonstrated that the epitope was found in the immunoglobulin-like domain and residue pairs located at the molecular paratope:epitope interface important for complex stability was identified. Collectively, the VHH7 homology model and VHH7:RgpB docking supplies knowledge of the residues involved in the high affinity interaction. This information could prove valuable in the design of an antibody-drug conjugate for specific RgpB targeting. Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Reducing the Complexity of Genetic Fuzzy Classifiers in Highly-Dimensional Classification Problems

    Directory of Open Access Journals (Sweden)

    DimitrisG. Stavrakoudis

    2012-04-01

    Full Text Available This paper introduces the Fast Iterative Rule-based Linguistic Classifier (FaIRLiC, a Genetic Fuzzy Rule-Based Classification System (GFRBCS which targets at reducing the structural complexity of the resulting rule base, as well as its learning algorithm's computational requirements, especially when dealing with high-dimensional feature spaces. The proposed methodology follows the principles of the iterative rule learning (IRL approach, whereby a rule extraction algorithm (REA is invoked in an iterative fashion, producing one fuzzy rule at a time. The REA is performed in two successive steps: the first one selects the relevant features of the currently extracted rule, whereas the second one decides the antecedent part of the fuzzy rule, using the previously selected subset of features. The performance of the classifier is finally optimized through a genetic tuning post-processing stage. Comparative results in a hyperspectral remote sensing classification as well as in 12 real-world classification datasets indicate the effectiveness of the proposed methodology in generating high-performing and compact fuzzy rule-based classifiers, even for very high-dimensional feature spaces.

  4. High affinity, ligand specific uptake of complexed copper-67 by brain tissue incubated in vitro

    International Nuclear Information System (INIS)

    Barnea, A.; Hartter, D.E.

    1987-01-01

    Copper is an essential metal that is highly concentrated in the brain. The blood, the sole source of tissue Cu, contains 16-20 μM Cu, of which >95% is complexed to proteins and 2 was 10 times greater than that of CuAlbumin or Cu(II). Within the range of 0.2-150μM Cu, multiple uptake sites for CuHis were apparent. Increasing the molar ratio of His:Cu had a differential effect on Cu uptake: enhancing uptake at [Cu] 1 μM. Thus, using a His:Cu ratio of 1000, they observed a high affinity process exhibiting saturating and half saturating values of 5 μM and 1.5 μM Cu, respectively; using a His:Cu ratio of 2, they observed a low affinity process exhibiting saturating and half-saturating values of 100 μM and 40 μM Cu, respectively. Both processes required thermic but not metabolic energy, suggestive of facilitated diffusion. Considering the blood brain barrier for proteins, CuHis appears to be the major substrate for Cu uptake by neuronal tissue. They demonstrate the existence of a ligand specific, high affinity (apparent Km about 1.5 μM Cu) uptake process for CuHis in the brain, operative at the physiological concentration range of CuHis and histidine

  5. High-speed mapping of water isotopes and residence time in Cache Slough Complex, San Francisco Bay Delta, CA

    Data.gov (United States)

    Department of the Interior — Real-time, high frequency (1-second sample interval) GPS location, water quality, and water isotope (δ2H, δ18O) data was collected in the Cache Slough Complex (CSC),...

  6. Complex matrix multiplication operations with data pre-conditioning in a high performance computing architecture

    Science.gov (United States)

    Eichenberger, Alexandre E; Gschwind, Michael K; Gunnels, John A

    2014-02-11

    Mechanisms for performing a complex matrix multiplication operation are provided. A vector load operation is performed to load a first vector operand of the complex matrix multiplication operation to a first target vector register. The first vector operand comprises a real and imaginary part of a first complex vector value. A complex load and splat operation is performed to load a second complex vector value of a second vector operand and replicate the second complex vector value within a second target vector register. The second complex vector value has a real and imaginary part. A cross multiply add operation is performed on elements of the first target vector register and elements of the second target vector register to generate a partial product of the complex matrix multiplication operation. The partial product is accumulated with other partial products and a resulting accumulated partial product is stored in a result vector register.

  7. Maximizing reservoir exposure with proactive well placement in high geological complexity field of Venezuelan Orinoco Belt

    Energy Technology Data Exchange (ETDEWEB)

    Castaneda, Luis; Leon, Maryesther; Meunier, Antoine [Schlumberger, Caracas (Venezuela); Lara, Manuel; Herrera, Yoanna; Granado, Miguel [Petrolera Indovenezolana S.A. (PIV), El Tigre (Venezuela)

    2012-07-01

    In 2010, Petrolera Indovenezolana S.A. (PIV), a joint venture between Corporacion Venezolana del Petroleo (CVP) and the Indian company ONGC Videsh Limited (OVL), started planning for two horizontal wells in the Norte Zuata (San Cristobal) field in the Orinoco belt of eastern Venezuela. The focus for this campaign was to evaluate the productivity of horizontal wells in thin sands and avoid areas of complex geology because of the high uncertainty in the structural behavior, applying technology that provided absolute control of the drilling process into the Oficina formation. Within the Oficina formation, thin sand reservoirs with variations in thickness and dip, geologically facies changes and sub seismic faults presented the main challenge to geosteering a horizontal well. Because the project faced high geological uncertainties, a pilot hole was drilled as the first stage in the first well to verify the structural levels and the continuity of the sand bodies. To achieve the above challenges, the combination of a rotary steerable system (RSS) 'point-the-bit' and a deep azimuthal electromagnetic resistivity tool (DAEMR) was used. The measurements provided accurate information to the well-placement engineers for proactive decisions in real time, mitigating the possible loss of the target by these geologic uncertainties. High-quality and valuable data for real time geological model update were the expected results obtained from the effort made by PIV in the Norte Zuata (San Cristobal) field, and the data showed the oil-producing potential of one of the main reservoir (Sand F,G). This application of high-tier technologies demonstrated that drilling and data measurements can be improved and optimized to yield added value for reservoir development and 100% net to gross (NTG) targets. This reduces operational cost, makes it possible to drill in the right place the first time, and pushes forward the limit of the achievable in terms of reservoir exposure. (author)

  8. Synthesis and studies of novel high metal content organic aerogels obtained from a polymerizable titanium complex

    International Nuclear Information System (INIS)

    Cadra, S.

    2010-01-01

    Inertial Confinement Fusion (ICF) is a technique widely studied by the French atomic commission (CEA). Experiments will be performed within the Laser Megajoule (LMJ). They require innovative materials like organic aerogels that constitute laser targets. Such polymeric material must provide both a high porosity and a significant titanium percentage (1 atom %). Moreover, the monomers developed must be compatible with the synthesis procedure already in use. According to these specifications, a new polymerizable titanium complex was synthesized and fully characterized. This air and moisture-stable monomer provides a high metal percentage. Its free-radical cross-linked copolymerization affords several titanium-containing polymers. These gels were dried under supercritical conditions and organic aerogels were obtained. The chemical compositions of these materials were investigated by NMR, IR and elemental analysis while their structure was characterized by MEB-EDS, MET, N 2 adsorption/desorption isotherms measurements and SAXS. The data collected fit the specification requirements. Moreover, the mechanisms responsible of the foam nano-structure formation were discussed. (author) [fr

  9. The use of high fidelity CAD models as the basis for training on complex systems

    Science.gov (United States)

    Miller, Kellie; Tanner, Steve

    1993-01-01

    During the design phases of large and complex systems such as NASA's Space Station Freedom (SSF), there are few, if any physical prototypes built. This is often due to their expense and the realization that the design is likely to change. This poses a problem for training, maintainability, and operations groups who are tasked to lay the foundation of plans for using these systems. The Virtual Reality and Visualization Laboratory at the Boeing Advanced Computing Group's Huntsville facility is supporting the use of high fidelity, detailed design models that are generated during the initial design phases, for use in training, maintainability and operations exercises. This capability was used in its non-immersive form to great effect at the SSF Critical Design Review (CDR) during February, 1993. Allowing the user to move about within a CAD design supports many efforts, including training and scenario study. We will demonstrate via a video of the Maintainability SSF CDR how this type of approach can be used and why it is so effective in conveying large amounts of information quickly and concisely. We will also demonstrate why high fidelity models are so important for this type of training system and how it's immersive aspects may be exploited as well.

  10. Revealing complex function, process and pathway interactions with high-throughput expression and biological annotation data.

    Science.gov (United States)

    Singh, Nitesh Kumar; Ernst, Mathias; Liebscher, Volkmar; Fuellen, Georg; Taher, Leila

    2016-10-20

    The biological relationships both between and within the functions, processes and pathways that operate within complex biological systems are only poorly characterized, making the interpretation of large scale gene expression datasets extremely challenging. Here, we present an approach that integrates gene expression and biological annotation data to identify and describe the interactions between biological functions, processes and pathways that govern a phenotype of interest. The product is a global, interconnected network, not of genes but of functions, processes and pathways, that represents the biological relationships within the system. We validated our approach on two high-throughput expression datasets describing organismal and organ development. Our findings are well supported by the available literature, confirming that developmental processes and apoptosis play key roles in cell differentiation. Furthermore, our results suggest that processes related to pluripotency and lineage commitment, which are known to be critical for development, interact mainly indirectly, through genes implicated in more general biological processes. Moreover, we provide evidence that supports the relevance of cell spatial organization in the developing liver for proper liver function. Our strategy can be viewed as an abstraction that is useful to interpret high-throughput data and devise further experiments.

  11. High Harmonic Generation XUV Spectroscopy for Studying Ultrafast Photophysics of Coordination Complexes

    Science.gov (United States)

    Ryland, Elizabeth S.; Lin, Ming-Fu; Benke, Kristin; Verkamp, Max A.; Zhang, Kaili; Vura-Weis, Josh

    2017-06-01

    Extreme ultraviolet (XUV) spectroscopy is an inner shell technique that probes the M_{2,3}-edge excitation of atoms. Absorption of the XUV photon causes a 3p→3d transition, the energy and shape of which is directly related to the element and ligand environment. This technique is thus element-, oxidation state-, spin state-, and ligand field specific. A process called high-harmonic generation (HHG) enables the production of ultrashort (˜20fs) pulses of collimated XUV photons in a tabletop instrument. This allows transient XUV spectroscopy to be conducted as an in-lab experiment, where it was previously only possible at accelerator-based light sources. Additionally, ultrashort pulses provide the capability for unprecedented time resolution (˜50fs IRF). This technique has the capacity to serve a pivotal role in the study of electron and energy transfer processes in materials and chemical biology. I will present the XUV transient absorption instrument we have built, along with ultrafast transient M_{2,3}-edge absorption data of a series of small inorganic molecules in order to demonstrate the high specificity and time resolution of this tabletop technique as well as how our group is applying it to the study of ultrafast electronic dynamics of coordination complexes.

  12. Highly selective detection of glutathione using a NIP/Cu2+ complex fluorescent probe

    International Nuclear Information System (INIS)

    Liang Wenrui; Zhao Zhi; Zhang Yang; Wang Qiusheng; Zhao Xin; Ouyang Jie

    2012-01-01

    A novel fluorescent compound, 4-(trimethyl ammonium chloride)acetamide-2-(1H-naphtho[2,3-d]imidazol-2-yl)phenol (TMACA-NIP), was synthesized and used as a fluorescent probe for detecting glutathione reduced (GSH). The new NIP-based probe exhibited high fluorescence in water, which was quenched during the presence of copper (II) due to the complexation between TMACA-NIP and Cu 2+ . But after adding GSH into the TMACA-NIP and Cu 2+ system, the fluorescence of TMACA-NIP was recovered because the binding force between GSH and Cu 2+ is stronger than that between TMACA-NIP and Cu 2+ , which destroys the equilibrium between NIP and copper (II) ions and releases the fluorescence probe of TMACA-NIP. This three-component competing system of NIP/Cu 2+ /GSH can be used to detect GSH simply and rapidly. - Highlights: ► A novel fluorescence probe was developed to detect GSH that operates in aqueous solution. ► TMACA-NIP was synthesized and employed as “read-out” units of NIP/Cu 2+ /GSH. ► NIP-based probe shows high selectivity over other sulfhydryl compounds.

  13. Spectroscopic Characterization of Aqua [ fac-Tc(CO)3]+ Complexes at High Ionic Strength.

    Science.gov (United States)

    Chatterjee, Sayandev; Hall, Gabriel B; Engelhard, Mark H; Du, Yingge; Washton, Nancy M; Lukens, Wayne W; Lee, Sungsik; Pearce, Carolyn I; Levitskaia, Tatiana G

    2018-06-05

    Understanding fundamental Tc chemistry is important to both the remediation of nuclear waste and the reprocessing of nuclear fuel; however, current knowledge of the electronic structure and spectral signatures of low-valent Tc compounds significantly lags behind the remainder of the d-block elements. In particular, identification and treatment of Tc speciation in legacy nuclear waste is challenging due to the lack of reference data especially for Tc compounds in the less common oxidation states (I-VI). In an effort to establish a spectroscopic library corresponding to the relevant conditions of extremely high ionic strength typical for the legacy nuclear waste, compounds with the general formula of [ fac-Tc(CO) 3 (OH 2 ) 3- n (OH) n ] 1- n (where n = 0-3) were examined by a range of spectroscopic techniques including 99 Tc/ 13 C NMR, IR, XPS, and XAS. In the series of monomeric aqua species, stepwise hydrolysis results in the increase of the Tc metal center electron density and corresponding progressive decrease of the Tc-C bond distances, Tc electron binding energies, and carbonyl stretching frequencies in the order [ fac-Tc(CO) 3 (OH 2 ) 3 ] + > [ fac-Tc(CO) 3 (OH 2 ) 2 (OH)] > [ fac-Tc(CO) 3 (OH 2 )(OH) 2 ] - . These results correlate with established trends of the 99 Tc upfield chemical shift and carbonyl 13 C downfield chemical shift. The lone exception is [ fac-Tc(CO) 3 (OH)] 4 which exhibits a comparatively low electron density at the metal center attributed to the μ 3 -bridging nature of the - OH ligands causing less σ-donation and no π-donation. This work also reports the first observations of these compounds by XPS and [ fac-Tc(CO) 3 Cl 3 ] 2- by XAS. The unique and distinguishable spectral features of the aqua [ fac-Tc(CO) 3 ] + complexes lay the foundation for their identification in the complex aqueous matrixes.

  14. Theoretical characterization and design of highly efficient iridium (III) complexes bearing guanidinate ancillary ligand.

    Science.gov (United States)

    Ren, Xin-Yao; Wu, Yong; Wang, Li; Zhao, Liang; Zhang, Min; Geng, Yun; Su, Zhong-Min

    2014-06-01

    A density functional theory/time-depended density functional theory was used to investigate the synthesized guanidinate-based iridium(III) complex [(ppy)2Ir{(N(i)Pr)2C(NPh2)}] (1) and two designed derivatives (2 and 3) to determine the influences of different cyclometalated ligands on photophysical properties. Except the conventional discussions on geometric relaxations, absorption and emission properties, many relevant parameters, including spin-orbital coupling (SOC) matrix elements, zero-field-splitting parameters, radiative rate constants (kr) and so on were quantitatively evaluated. The results reveal that the replacement of the pyridine ring in the 2-phenylpyridine ligand with different diazole rings cannot only enlarge the frontier molecular orbital energy gaps, resulting in a blue-shift of the absorption spectra for 2 and 3, but also enhance the absorption intensity of 3 in the lower-energy region. Furthermore, it is intriguing to note that the photoluminescence quantum efficiency (ΦPL) of 3 is significantly higher than that of 1. This can be explained by its large SOC value(n=3-4) and large transition electric dipole moment (μS3), which could significantly contribute to a larger kr. Besides, compared with 1, the higher emitting energy (ET1) and smaller (2) value for 3 may lead to a smaller non-radiative decay rate. Additionally, the detailed results also indicate that compared to 1 with pyridine ring, 3 with imidazole ring performs a better hole injection ability. Therefore, the designed complex 3 can be expected as a promising candidate for highly efficient guanidinate-based phosphorescence emitter for OLEDs applications. Copyright © 2014 Elsevier Inc. All rights reserved.

  15. Strategies to reduce the complexity of hydrologic data assimilation for high-dimensional models

    Science.gov (United States)

    Hernandez, F.; Liang, X.

    2017-12-01

    Probabilistic forecasts in the geosciences offer invaluable information by allowing to estimate the uncertainty of predicted conditions (including threats like floods and droughts). However, while forecast systems based on modern data assimilation algorithms are capable of producing multi-variate probability distributions of future conditions, the computational resources required to fully characterize the dependencies between the model's state variables render their applicability impractical for high-resolution cases. This occurs because of the quadratic space complexity of storing the covariance matrices that encode these dependencies and the cubic time complexity of performing inference operations with them. In this work we introduce two complementary strategies to reduce the size of the covariance matrices that are at the heart of Bayesian assimilation methods—like some variants of (ensemble) Kalman filters and of particle filters—and variational methods. The first strategy involves the optimized grouping of state variables by clustering individual cells of the model into "super-cells." A dynamic fuzzy clustering approach is used to take into account the states (e.g., soil moisture) and forcings (e.g., precipitation) of each cell at each time step. The second strategy consists in finding a compressed representation of the covariance matrix that still encodes the most relevant information but that can be more efficiently stored and processed. A learning and a belief-propagation inference algorithm are developed to take advantage of this modified low-rank representation. The two proposed strategies are incorporated into OPTIMISTS, a state-of-the-art hybrid Bayesian/variational data assimilation algorithm, and comparative streamflow forecasting tests are performed using two watersheds modeled with the Distributed Hydrology Soil Vegetation Model (DHSVM). Contrasts are made between the efficiency gains and forecast accuracy losses of each strategy used in

  16. Organizational-economic model of formation of socio-commercial multifunctional complex in the construction of high-rise buildings

    Science.gov (United States)

    Kirillova, Ariadna; Prytkova, Oksana O.

    2018-03-01

    The article is devoted to the features of the formation of the organizational and economic model of the construction of a socio-commercial multifunctional complex for high-rise construction. Authors have given examples of high-altitude multifunctional complexes in Moscow, analyzed the advantages and disadvantages in the implementation of multifunctional complexes, stressed the need for a holistic strategic approach, allowing to take into account the prospects for the development of the city and the creation of a comfortable living environment. Based on the analysis of multifunctional complexes features, a matrix of SWOT analysis was compiled. For the development of cities and improving the quality of life of the population, it is proposed to implement a new type of multifunctional complexes of a joint social and commercial direction, including, along with the implementation of office areas - schools, polyclinics, various sports facilities and cultural and leisure centers (theatrical, dance, studio, etc.). The approach proposed in the article for developing the model is based on a comparative evaluation of the multifunctional complex project of a social and commercial direction implemented at the expense of public-private partnership in the form of a concession agreement and a commercial multifunctional complex being built at the expense of the investor. It has been proved by calculations that the obtained indicators satisfy the conditions of expediency of the proposed organizational-economic model and the project of the social and commercial multifunctional complex is effective.

  17. High-level inhibition of mitochondrial complexes III and IV is required to increase glutamate release from the nerve terminal

    Directory of Open Access Journals (Sweden)

    Kilbride Seán M

    2011-07-01

    Full Text Available Abstract Background The activities of mitochondrial complex III (ubiquinol-cytochrome c reductase, EC 1.10.2.2 and complex IV (cytochrome c oxidase EC 1.9.3.1 are reduced by 30-70% in Huntington's disease and Alzheimer's disease, respectively, and are associated with excitotoxic cell death in these disorders. In this study, we investigated the control that complexes III and complex IV exert on glutamate release from the isolated nerve terminal. Results Inhibition of complex III activity by 60-90% was necessary for a major increase in the rate of Ca2+-independent glutamate release to occur from isolated nerve terminals (synaptosomes depolarized with 4-aminopyridine or KCl. Similarly, an 85-90% inhibition of complex IV activity was required before a major increase in the rate of Ca2+-independent glutamate release from depolarized synaptosomes was observed. Inhibition of complex III and IV activities by ~ 60% and above was required before rates of glutamate efflux from polarized synaptosomes were increased. Conclusions These results suggest that nerve terminal mitochondria possess high reserves of complex III and IV activity and that high inhibition thresholds must be reached before excess glutamate is released from the nerve terminal. The implications of the results in the context of the relationship between electron transport chain enzyme deficiencies and excitotoxicity in neurodegenerative disorders are discussed.

  18. High-level inhibition of mitochondrial complexes III and IV is required to increase glutamate release from the nerve terminal

    LENUS (Irish Health Repository)

    Kilbride, Sean M

    2011-07-26

    Abstract Background The activities of mitochondrial complex III (ubiquinol-cytochrome c reductase, EC 1.10.2.2) and complex IV (cytochrome c oxidase EC 1.9.3.1) are reduced by 30-70% in Huntington\\'s disease and Alzheimer\\'s disease, respectively, and are associated with excitotoxic cell death in these disorders. In this study, we investigated the control that complexes III and complex IV exert on glutamate release from the isolated nerve terminal. Results Inhibition of complex III activity by 60-90% was necessary for a major increase in the rate of Ca2+-independent glutamate release to occur from isolated nerve terminals (synaptosomes) depolarized with 4-aminopyridine or KCl. Similarly, an 85-90% inhibition of complex IV activity was required before a major increase in the rate of Ca2+-independent glutamate release from depolarized synaptosomes was observed. Inhibition of complex III and IV activities by ~ 60% and above was required before rates of glutamate efflux from polarized synaptosomes were increased. Conclusions These results suggest that nerve terminal mitochondria possess high reserves of complex III and IV activity and that high inhibition thresholds must be reached before excess glutamate is released from the nerve terminal. The implications of the results in the context of the relationship between electron transport chain enzyme deficiencies and excitotoxicity in neurodegenerative disorders are discussed.

  19. Organizational-economic model of formation of socio-commercial multifunctional complex in the construction of high-rise buildings

    Directory of Open Access Journals (Sweden)

    Kirillova Ariadna

    2018-01-01

    Full Text Available The article is devoted to the features of the formation of the organizational and economic model of the construction of a socio-commercial multifunctional complex for high-rise construction. Authors have given examples of high-altitude multifunctional complexes in Moscow, analyzed the advantages and disadvantages in the implementation of multifunctional complexes, stressed the need for a holistic strategic approach, allowing to take into account the prospects for the development of the city and the creation of a comfortable living environment. Based on the analysis of multifunctional complexes features, a matrix of SWOT analysis was compiled. For the development of cities and improving the quality of life of the population, it is proposed to implement a new type of multifunctional complexes of a joint social and commercial direction, including, along with the implementation of office areas - schools, polyclinics, various sports facilities and cultural and leisure centers (theatrical, dance, studio, etc.. The approach proposed in the article for developing the model is based on a comparative evaluation of the multifunctional complex project of a social and commercial direction implemented at the expense of public-private partnership in the form of a concession agreement and a commercial multifunctional complex being built at the expense of the investor. It has been proved by calculations that the obtained indicators satisfy the conditions of expediency of the proposed organizational-economic model and the project of the social and commercial multifunctional complex is effective.

  20. Wind Resource Assessment in Complex Terrain with a High-Resolution Numerical Weather Prediction Model

    Science.gov (United States)

    Gruber, Karin; Serafin, Stefano; Grubišić, Vanda; Dorninger, Manfred; Zauner, Rudolf; Fink, Martin

    2014-05-01

    A crucial step in planning new wind farms is the estimation of the amount of wind energy that can be harvested in possible target sites. Wind resource assessment traditionally entails deployment of masts equipped for wind speed measurements at several heights for a reasonably long period of time. Simplified linear models of atmospheric flow are then used for a spatial extrapolation of point measurements to a wide area. While linear models have been successfully applied in the wind resource assessment in plains and offshore, their reliability in complex terrain is generally poor. This represents a major limitation to wind resource assessment in Austria, where high-altitude locations are being considered for new plant sites, given the higher frequency of sustained winds at such sites. The limitations of linear models stem from two key assumptions in their formulation, the neutral stratification and attached boundary-layer flow, both of which often break down in complex terrain. Consequently, an accurate modeling of near-surface flow over mountains requires the adoption of a NWP model with high horizontal and vertical resolution. This study explores the wind potential of a site in Styria in the North-Eastern Alps. The WRF model is used for simulations with a maximum horizontal resolution of 800 m. Three nested computational domains are defined, with the innermost one encompassing a stretch of the relatively broad Enns Valley, flanked by the main crest of the Alps in the south and the Nördliche Kalkalpen of similar height in the north. In addition to the simulation results, we use data from fourteen 10-m wind measurement sites (of which 7 are located within valleys and 5 near mountain tops) and from 2 masts with anemometers at several heights (at hillside locations) in an area of 1600 km2 around the target site. The potential for wind energy production is assessed using the mean wind speed and turbulence intensity at hub height. The capacity factor is also evaluated

  1. A high performance cost-effective digital complex correlator for an X-band polarimetry survey.

    Science.gov (United States)

    Bergano, Miguel; Rocha, Armando; Cupido, Luís; Barbosa, Domingos; Villela, Thyrso; Boas, José Vilas; Rocha, Graça; Smoot, George F

    2016-01-01

    The detailed knowledge of the Milky Way radio emission is important to characterize galactic foregrounds masking extragalactic and cosmological signals. The update of the global sky models describing radio emissions over a very large spectral band requires high sensitivity experiments capable of observing large sky areas with long integration times. Here, we present the design of a new 10 GHz (X-band) polarimeter digital back-end to map the polarization components of the galactic synchrotron radiation field of the Northern Hemisphere sky. The design follows the digital processing trends in radio astronomy and implements a large bandwidth (1 GHz) digital complex cross-correlator to extract the Stokes parameters of the incoming synchrotron radiation field. The hardware constraints cover the implemented VLSI hardware description language code and the preliminary results. The implementation is based on the simultaneous digitized acquisition of the Cartesian components of the two linear receiver polarization channels. The design strategy involves a double data rate acquisition of the ADC interleaved parallel bus, and field programmable gate array device programming at the register transfer mode. The digital core of the back-end is capable of processing 32 Gbps and is built around an Altera field programmable gate array clocked at 250 MHz, 1 GSps analog to digital converters and a clock generator. The control of the field programmable gate array internal signal delays and a convenient use of its phase locked loops provide the timing requirements to achieve the target bandwidths and sensitivity. This solution is convenient for radio astronomy experiments requiring large bandwidth, high functionality, high volume availability and low cost. Of particular interest, this correlator was developed for the Galactic Emission Mapping project and is suitable for large sky area polarization continuum surveys. The solutions may also be adapted to be used at signal processing

  2. High-resolution diffraction from crystals of a membrane-protein complex: bacterial outer membrane protein OmpC complexed with the antibacterial eukaryotic protein lactoferrin

    International Nuclear Information System (INIS)

    Sundara Baalaji, N.; Acharya, K. Ravi; Singh, T. P.; Krishnaswamy, S.

    2005-01-01

    Crystals of the complex formed between the bacterial membrane protein OmpC and the antibacterial protein lactoferrin suitable for high-resolution structure determination have been obtained. The crystals belong to the hexagonal space group P6, with unit-cell parameters a = b = 116.3, c = 152.4 Å. Crystals of the complex formed between the outer membrane protein OmpC from Escherichia coli and the eukaryotic antibacterial protein lactoferrin from Camelus dromedarius (camel) have been obtained using a detergent environment. Initial data processing suggests that the crystals belong to the hexagonal space group P6, with unit-cell parameters a = b = 116.3, c = 152.4 Å, α = β = 90, γ = 120°. This indicated a Matthews coefficient (V M ) of 3.3 Å 3 Da −1 , corresponding to a possible molecular complex involving four molecules of lactoferrin and two porin trimers in the unit cell (4832 amino acids; 533.8 kDa) with 63% solvent content. A complete set of diffraction data was collected to 3 Å resolution at 100 K. Structure determination by molecular replacement is in progress. Structural study of this first surface-exposed membrane-protein complex with an antibacterial protein will provide insights into the mechanism of action of OmpC as well as lactoferrin

  3. Using high complexity analysis to probe the evolution of organic aerosol during pollution events in Beijing

    Science.gov (United States)

    Hamilton, J.; Dixon, W.; Dunmore, R.; Squires, F. A.; Swift, S.; Lee, J. D.; Rickard, A. R.; Sun, Y.; Xu, W.

    2017-12-01

    There is increasing evidence that exposure to air pollution results in significant impacts on human health. In Beijing, home to over 20 million inhabitants, particulate matter levels are very high by international standards, with official estimates of an annual mean PM2.5 concentration in 2014 of 86 μg m-3, nearly 9 times higher than the WHO guideline. Changes in particle composition during pollution events will provide key information on sources and can be used to inform strategies for pollution mitigation and health benefits. The organic fraction of PM is an extremely complex mixture reflecting the diversity of sources to the atmosphere. In this study we attempt to harness the chemical complexity of OA by developing an extensive database of over 700 mass spectra, built using literature data and sources specific tracers (e.g. diesel emission characterisation experiments and SOA generated in chamber simulations). Using a high throughput analysis method (15 min), involving UHPLC coupled to Orbitrap mass spectrometry, chromatograms are integrated, compared to the library and a list of identified compounds produced. Purpose built software based on R is used to automatically produce time series, alongside common aerosol metrics and data visualisation techniques, dramatically reducing analysis times. Offline measurements of organic aerosol composition were made as part of the Sources and Emissions of Air Pollutants in Beijing project, a collaborative program between leading UK and Chinese research groups. Rather than studying only a small number of 24 hr PM samples, we collected 250 filters samples at a range of different time resolutions, from 30 minutes to 12 hours, depending on the time of day and PM loadings. In total 643 species were identified based on their elemental formula and retention time, with species ranging from C2-C22 and between 1-13 oxygens. A large fraction of the OA species observed were organosulfates and/or nitrates. Here we will present

  4. High temperature-induced phase transitions in Sr2GdRuO6 complex perovskite

    International Nuclear Information System (INIS)

    Triana, C.A.; Corredor, L.T.; Landínez Téllez, D.A.; Roa-Rojas, J.

    2011-01-01

    Highlights: ► Crystal structure, thermal expansion and phase transitions at high-temperature of Sr 2 GdRuO 6 perovskite has been investigated. ► X-ray diffraction pattern at 298 K of Sr 2 GdRuO 6 corresponds to monoclinic perovskite-type structure with P2 1 /n space group. ► Evolution of X-ray diffraction patterns at high-temperature shows that the Sr 2 GdRuO 6 perovskite suffers two-phase transitions. ► At 573 K the X-ray diffraction pattern of Sr 2 GdRuO 6 corresponds to monoclinic perovskite-type structure with I2/m space group. ► At 1273 K the Sr 2 GdRuO 6 perovskite suffers a complete phase-transition from monoclinic I2/m (no. 12) to tetragonal I4/m (no. 87). -- Abstract: The crystal structure behavior of the Sr 2 GdRuO 6 complex perovskite at high-temperature has been investigated over a wide temperature range between 298 K ≤ T ≤ 1273 K. Measurements of X-ray diffraction at room-temperature and Rietveld analysis of the experimental patterns show that this compound crystallizes in a monoclinic perovskite-like structure, which belongs to the P2 1 /n (no. 14) space group and 1:1 ordered arrangement of Ru 5+ and Gd 3+ cations over the six-coordinate M sites. Experimental lattice parameters were obtained to be a =5.8103(5) Å, b =5.8234(1) Å, c =8.2193(9) Å, V = 278.11(2) Å 3 and angle β = 90.310(5)°. The high-temperature analysis shows the occurrence of two-phase transitions on this material. First, at 573 K it adopts a monoclinic perovskite-type structure with I2/m (no. 12) space group with lattice parameters a = 5.8275(6) Å, b = 5.8326(3) Å, c = 8.2449(2) Å, V = 280.31(3) Å 3 and angle β = 90.251(3)°. Close to 1273 K it undergoes a complete phase-transition from monoclinic I2/m (no. 12) to tetragonal I4/m (no. 87), with lattice parameters a = 5.8726(1) Å, c = 8.3051(4) Å, V = 286.39(8) Å 3 and angle β = 90.0°. The high-temperature phase transition from monoclinic I2/m (no. 12) to tetragonal I4/m (no. 87) is characterized

  5. Plastic scintillators with {beta}-diketone Eu complexes for high ionizing radiation detection

    Energy Technology Data Exchange (ETDEWEB)

    Adadurov, A.F., E-mail: adadurov@isma.kharkov.ua [Institute for Scintillating Materials, NAN of Ukraine, Lenin Avenue 60, 61001 Kharkov (Ukraine); Zhmurin, P.N.; Lebedev, V.N.; Kovalenko, V.N. [Institute for Scintillating Materials, NAN of Ukraine, Lenin Avenue 60, 61001 Kharkov (Ukraine)

    2011-10-15

    Luminescent and scintillation properties of polystyrene-based plastic scintillators with {beta}-diketone Eu complexes are investigated. A scintillator with dibenzoylmethane Eu complex containing two phenyl groups demonstrates the maximum scintillating efficiency. It is shown that plastic scintillators efficiency is dramatically decreased if {beta}-diketone derivatives contain no phenyl groups as substituents. This fact can be explained by exciplex mechanism of energy transfer from a matrix to Eu complex. - Highlights: > Fluorescent properties of polystyrene scintillators with {beta}-diketone complexes of Eu were studied. > Scintillating efficiency is increased with the number of phenyl groups in Eu complex. > This is related to exciplex mechanism of energy transfer from a polymer matrix to Eu complex.

  6. Plastic scintillators with β-diketone Eu complexes for high ionizing radiation detection

    International Nuclear Information System (INIS)

    Adadurov, A.F.; Zhmurin, P.N.; Lebedev, V.N.; Kovalenko, V.N.

    2011-01-01

    Luminescent and scintillation properties of polystyrene-based plastic scintillators with β-diketone Eu complexes are investigated. A scintillator with dibenzoylmethane Eu complex containing two phenyl groups demonstrates the maximum scintillating efficiency. It is shown that plastic scintillators efficiency is dramatically decreased if β-diketone derivatives contain no phenyl groups as substituents. This fact can be explained by exciplex mechanism of energy transfer from a matrix to Eu complex. - Highlights: → Fluorescent properties of polystyrene scintillators with β-diketone complexes of Eu were studied. → Scintillating efficiency is increased with the number of phenyl groups in Eu complex. → This is related to exciplex mechanism of energy transfer from a polymer matrix to Eu complex.

  7. Managing complex, high risk projects a guide to basic and advanced project management

    CERN Document Server

    Marle, Franck

    2016-01-01

    Maximizing reader insights into project management and handling complexity-driven risks, this book explores propagation effects, non-linear consequences, loops, and the emergence of positive properties that may occur over the course of a project. This book presents an introduction to project management and analysis of traditional project management approaches and their limits regarding complexity. It also includes overviews of recent research works about project complexity modelling and management as well as project complexity-driven issues. Moreover, the authors propose their own new approaches, new methodologies and new tools which may be used by project managers and/or researchers and/or students in the management of their projects. These new elements include project complexity definitions and frameworks, multi-criteria approaches for project complexity measurement, advanced methodologies for project management (propagation studies to anticipate potential behaviour of the project, and clustering approaches...

  8. REGULARITIES OF THE INFLUENCE OF ORGANIZATIONAL AND TECHNOLOGICAL FACTORS ON THE DURATION OF CONSTRUCTION OF HIGH-RISE MULTIFUNCTIONAL COMPLEXES

    Directory of Open Access Journals (Sweden)

    ZAIATS Yi. I.

    2015-10-01

    Full Text Available Problem statement. Technical and economic indexes of projects of construction of high-rise multifunctional complexes, namely: the duration of construction works and the cost of building products depends on the technology of construction works and method of construction organization, and on their choice influence the architectural and design, constructional and engineering made decisions. Purpose. To reveal the regularity of influence of organizational and technological factors on the duration of construction of high-rise multifunctional complexes in the conditions of dense city building. Conclusion. To reveal the regularity of the influence of organizational and technological factors (the height, the factor complexity of design of project and and estimate documentation, factor of complexity of construction works, the factor of complexity of control of investment and construction project, economy factor, comfort factor, factor of technology of projected solutions for the duration of the construction of high-rise multifunctional complexes (depending on their height: from 73,5 m to 100 m inclusively; from 100 m to 200 m inclusively allow us to quantitatively assess their influence and can be used in the development of the methodology of substantiation of the expediency and effectiveness of the realization of projects of high-rise construction in condition of compacted urban development, based on the consideration of the influence of organizational and technological aspects.

  9. Complex analysis of energy efficiency in operated high-rise residential building: Case study

    Directory of Open Access Journals (Sweden)

    Korniyenko Sergey

    2018-01-01

    Full Text Available Energy conservation and human thermal comfort enhancement in buildings is a topical issue of modern architecture and construction. The innovative solution of this problem makes it possible to enhance building ecological and maintenance safety, to reduce hydrocarbon fuel consumption, and to improve life standard of people. The requirements to increase of energy efficiency in buildings should be provided at all the stages of building's life cycle that is at the stage of design, construction and maintenance of buildings. The research purpose is complex analysis of energy efficiency in operated high-rise residential building. Many actions for building energy efficiency are realized according to the project; mainly it is the effective building envelope and engineering systems. Based on results of measurements the energy indicators of the building during annual period have been calculated. The main reason of increase in heat losses consists in the raised infiltration of external air in the building through a building envelope owing to the increased air permeability of windows and balcony doors (construction defects. Thermorenovation of the building based on ventilating and infiltration heat losses reduction through a building envelope allows reducing annual energy consumption. Energy efficiency assessment based on the total annual energy consumption of building, including energy indices for heating and a ventilation, hot water supply and electricity supply, in comparison with heating is more complete. The account of various components in building energy balance completely corresponds to modern direction of researches on energy conservation and thermal comfort enhancement in buildings.

  10. High-resolution 40Ar/39Ar chronology of multiple intrusion igneous complexes

    Science.gov (United States)

    Foland, K. A.; Chen, J.-F.; Linder, J. S.; Henderson, C. M. B.; Whillans, I. M.

    1989-06-01

    The Mount Brome complex of the Monteregian province of southern Quebec, Canada, consits of several major intrusions ranging compositionally from gabbro to syenite. The relative ages of these intrusives have been investigated with high-resolution 40Ar/39Ar analyses, including a specially designed irradiation configuration to cancel the effects of fluence gradients. Small yet distinct apparent age differences are observed. While a number of analytical and geological factors could be proposed to explain the small variations, evaluation of these suggests the age differences reflect those in emplacement times. The gabbro and nepheline diorite were emplaced within a short span 123.1 Ma ago. Generally more evolved lithologies (biotite monzodiorite, pulaskite, nordmarkite) appear to have been emplaced within a restricted interval 1.4±0.3 Ma later. Whole-rock Rb-Sr systematics do not give acceptable isochrons because of significant scatter interpreted to reflect initial 87Sr/86Sr heterogeneities resulting from crustal contamination. Considering the variations in initial ratio, the Rb-Sr data are consistent with the 40Ar/39Ar age.

  11. Stability constant determinations for technetium (IV) complexation with selected amino carboxylate ligands in high nitrate solutions

    Energy Technology Data Exchange (ETDEWEB)

    Omoto, Trevor; Wall, Nathalie A. [Washington State Univ., Pullman, WA (United States). Dept. of Chemistry

    2017-10-01

    The stability constants for Tc(IV) complexation with the ligands IDA, NTA, HEDTA, and DTPA were determined in varied nitrate concentrations using liquid-liquid extraction methods. The determined log β{sub 101} stability constants at 0.5 M NaNO{sub 3} were found to be 9.2±0.3, 10.3±0.3, and 15.3±0.3 for IDA, NTA, and HEDTA, respectively. The log β{sub 111} stability constant for DTPA was determined to be 22.0±0.6. These determined stability constants show a slight decrease in magnitude as a function of increasing NaNO{sub 3} concentration. These stability constants were used to model the total dissolution of Tc(IV) in acidic aqueous solutions in the presence of each ligand. The results of these predictive models indicate that amino carboxylic ligands have a high potential for increasing the aqueous dissolution of Tc(IV); at pH 2.3, 0.01 M ligand yield dissolved Tc(IV) concentrations of 1.42.10{sup -5} M, 1.33.10{sup -5} M, 6.07.10{sup -6} M, 9.65.10{sup -7} M, for DTPA, HEDTA, NTA, and IDA, respectively.

  12. A high performance, low power computational platform for complex sensing operations in smart cities

    KAUST Repository

    Jiang, Jiming; Claudel, Christian

    2017-01-01

    This paper presents a new wireless platform designed for an integrated traffic/flash flood monitoring system. The sensor platform is built around a 32-bit ARM Cortex M4 microcontroller and a 2.4GHz 802.15.4802.15.4 ISM compliant radio module. It can be interfaced with fixed traffic sensors, or receive data from vehicle transponders. This platform is specifically designed for solar-powered, low bandwidth, high computational performance wireless sensor network applications. A self-recovering unit is designed to increase reliability and allow periodic hard resets, an essential requirement for sensor networks. A radio monitoring circuitry is proposed to monitor incoming and outgoing transmissions, simplifying software debugging. We illustrate the performance of this wireless sensor platform on complex problems arising in smart cities, such as traffic flow monitoring, machine-learning-based flash flood monitoring or Kalman-filter based vehicle trajectory estimation. All design files have been uploaded and shared in an open science framework, and can be accessed from [1]. The hardware design is under CERN Open Hardware License v1.2.

  13. The Low Pitch of High-Frequency Complex Tones Relies on Temporal Fine Structure Information

    DEFF Research Database (Denmark)

    Santurette, Sébastien; Dau, Torsten

    2010-01-01

    High-frequency complex tones containing only unresolved harmonic components with a frequency spacing Δf usually evoke a low pitch equal to Δf. However, for inharmonic components, the low pitch is often found to deviate slightly from Δf. Whether this pitch shift relies exclusively on temporal fine...... structure (TFS) cues has been a matter of debate. It is also controversial up to which frequency TFS information remains available, and to what extent envelope cues become dominant as frequency increases. Using a pitch-matching paradigm, this study investigated whether the pitch of transposed tones.......5]. All stimuli were presented at 50 dB SPL in broadband pink-noise (13.5 dB/Hz at 1 kHz), and 40 matches per condition were obtained. For fenv = fc/11.5, the results favored hypothesis A for all values of fc, indicating that TFS cues are available and used for pitch extraction, up to at least 7 k...

  14. Complex analysis of energy efficiency in operated high-rise residential building: Case study

    Science.gov (United States)

    Korniyenko, Sergey

    2018-03-01

    Energy conservation and human thermal comfort enhancement in buildings is a topical issue of modern architecture and construction. The innovative solution of this problem makes it possible to enhance building ecological and maintenance safety, to reduce hydrocarbon fuel consumption, and to improve life standard of people. The requirements to increase of energy efficiency in buildings should be provided at all the stages of building's life cycle that is at the stage of design, construction and maintenance of buildings. The research purpose is complex analysis of energy efficiency in operated high-rise residential building. Many actions for building energy efficiency are realized according to the project; mainly it is the effective building envelope and engineering systems. Based on results of measurements the energy indicators of the building during annual period have been calculated. The main reason of increase in heat losses consists in the raised infiltration of external air in the building through a building envelope owing to the increased air permeability of windows and balcony doors (construction defects). Thermorenovation of the building based on ventilating and infiltration heat losses reduction through a building envelope allows reducing annual energy consumption. Energy efficiency assessment based on the total annual energy consumption of building, including energy indices for heating and a ventilation, hot water supply and electricity supply, in comparison with heating is more complete. The account of various components in building energy balance completely corresponds to modern direction of researches on energy conservation and thermal comfort enhancement in buildings.

  15. In-flight simulation of high agility through active control: Taming complexity by design

    Science.gov (United States)

    Padfield, Gareth D.; Bradley, Roy

    1993-01-01

    The motivation for research into helicopter agility stems from the realization that marked improvements relative to current operational types are possible, yet there is a dearth of useful criteria for flying qualities at high performance levels. Several research laboratories are currently investing resources in developing second generation airborne rotorcraft simulators. The UK's focus has been the exploitation of agility through active control technology (ACT); this paper reviews the results of studies conducted to date. The conflict between safety and performance in flight research is highlighted and the various forms of safety net to protect against system failures are described. The role of the safety pilot, and the use of actuator and flight envelope limiting are discussed. It is argued that the deep complexity of a research ACT system can only be tamed through a requirement specification assembled using design principles and cast in an operational simulation form. Work along these lines conducted at DRA is described, including the use of the Jackson System Development method and associated Ada simulation.

  16. Innovation Analysis Approach to Design Parameters of High Speed Train Carriage and Their Intrinsic Complexity Relationships

    Science.gov (United States)

    Xiao, Shou-Ne; Wang, Ming-Meng; Hu, Guang-Zhong; Yang, Guang-Wu

    2017-09-01

    In view of the problem that it's difficult to accurately grasp the influence range and transmission path of the vehicle top design requirements on the underlying design parameters. Applying directed-weighted complex network to product parameter model is an important method that can clarify the relationships between product parameters and establish the top-down design of a product. The relationships of the product parameters of each node are calculated via a simple path searching algorithm, and the main design parameters are extracted by analysis and comparison. A uniform definition of the index formula for out-in degree can be provided based on the analysis of out-in-degree width and depth and control strength of train carriage body parameters. Vehicle gauge, axle load, crosswind and other parameters with higher values of the out-degree index are the most important boundary conditions; the most considerable performance indices are the parameters that have higher values of the out-in-degree index including torsional stiffness, maximum testing speed, service life of the vehicle, and so on; the main design parameters contain train carriage body weight, train weight per extended metre, train height and other parameters with higher values of the in-degree index. The network not only provides theoretical guidance for exploring the relationship of design parameters, but also further enriches the application of forward design method to high-speed trains.

  17. A high performance, low power computational platform for complex sensing operations in smart cities

    KAUST Repository

    Jiang, Jiming

    2017-02-02

    This paper presents a new wireless platform designed for an integrated traffic/flash flood monitoring system. The sensor platform is built around a 32-bit ARM Cortex M4 microcontroller and a 2.4GHz 802.15.4802.15.4 ISM compliant radio module. It can be interfaced with fixed traffic sensors, or receive data from vehicle transponders. This platform is specifically designed for solar-powered, low bandwidth, high computational performance wireless sensor network applications. A self-recovering unit is designed to increase reliability and allow periodic hard resets, an essential requirement for sensor networks. A radio monitoring circuitry is proposed to monitor incoming and outgoing transmissions, simplifying software debugging. We illustrate the performance of this wireless sensor platform on complex problems arising in smart cities, such as traffic flow monitoring, machine-learning-based flash flood monitoring or Kalman-filter based vehicle trajectory estimation. All design files have been uploaded and shared in an open science framework, and can be accessed from [1]. The hardware design is under CERN Open Hardware License v1.2.

  18. Highly pathogenic influenza A(H5N1 virus survival in complex artificial aquatic biotopes.

    Directory of Open Access Journals (Sweden)

    Viseth Srey Horm

    Full Text Available BACKGROUND: Very little is known regarding the persistence of Highly Pathogenic Avian Influenza (HPAI H5N1 viruses in aquatic environments in tropical countries, although environmental materials have been suggested to play a role as reservoirs and sources of transmission for H5N1 viruses. METHODOLOGY/PRINCIPAL FINDINGS: The survival of HPAI H5N1 viruses in experimental aquatic biotopes (water, mud, aquatic flora and fauna relevant to field conditions in Cambodia was investigated. Artificial aquatic biotopes, including simple ones containing only mud and water, and complex biotopes involving the presence of aquatic flora and fauna, were set up. They were experimentally contaminated with H5N1 virus. The persistence of HPAI H5N1 virus (local avian and human isolates was determined by virus isolation in embryonated chicken eggs and by real-time reverse-polymerase chain reaction. Persistence of infectious virus did not exceed 4 days, and was only identified in rain water. No infectious virus particles were detected in pond and lake water or mud even when high inoculum doses were used. However, viral RNA persisted up to 20 days in rain water and 7 days in pond or lake water. Viral RNA was also detected in mud samples, up to 14 days post-contamination in several cases. Infectious virus and viral RNA was detected in few cases in the aquatic fauna and flora, especially in bivalves and labyrinth fish, although these organisms seemed to be mostly passive carriers of the virus rather than host allowing virus replication. CONCLUSIONS/SIGNIFICANCE: Although several factors for the survival and persistence of HPAI viruses in the environment are still to be elucidated, and are particularly hard to control in laboratory conditions, our results, along with previous data, support the idea that environmental surveillance is of major relevance for avian influenza control programs.

  19. High performance parallel computing of flows in complex geometries: I. Methods

    International Nuclear Information System (INIS)

    Gourdain, N; Gicquel, L; Montagnac, M; Vermorel, O; Staffelbach, G; Garcia, M; Boussuge, J-F; Gazaix, M; Poinsot, T

    2009-01-01

    Efficient numerical tools coupled with high-performance computers, have become a key element of the design process in the fields of energy supply and transportation. However flow phenomena that occur in complex systems such as gas turbines and aircrafts are still not understood mainly because of the models that are needed. In fact, most computational fluid dynamics (CFD) predictions as found today in industry focus on a reduced or simplified version of the real system (such as a periodic sector) and are usually solved with a steady-state assumption. This paper shows how to overcome such barriers and how such a new challenge can be addressed by developing flow solvers running on high-end computing platforms, using thousands of computing cores. Parallel strategies used by modern flow solvers are discussed with particular emphases on mesh-partitioning, load balancing and communication. Two examples are used to illustrate these concepts: a multi-block structured code and an unstructured code. Parallel computing strategies used with both flow solvers are detailed and compared. This comparison indicates that mesh-partitioning and load balancing are more straightforward with unstructured grids than with multi-block structured meshes. However, the mesh-partitioning stage can be challenging for unstructured grids, mainly due to memory limitations of the newly developed massively parallel architectures. Finally, detailed investigations show that the impact of mesh-partitioning on the numerical CFD solutions, due to rounding errors and block splitting, may be of importance and should be accurately addressed before qualifying massively parallel CFD tools for a routine industrial use.

  20. The Elastin Receptor Complex: a unique matricellular receptor with high anti-tumoral potential

    Directory of Open Access Journals (Sweden)

    Amandine eScandolera

    2016-03-01

    Full Text Available Elastin, one of the longest-lived proteins, confers elasticity to tissues with high mechanical constraints. During aging or pathophysiological conditions such as cancer progression, this insoluble polymer of tropoelastin undergoes an important degradation leading to the release of bioactive elastin-derived peptides (EDP, named elastokines. EDP exhibit several biological functions able to drive tumor development by regulating cell proliferation, invasion, survival, angiogenesis, and matrix metalloproteinase expression in various tumor and stromal cells. Although several receptors have been suggested to bind elastokines (αvβ3 and αvβ5 integrins, galectin-3, their main receptor remains the Elastin Receptor Complex (ERC. This heterotrimer comprises a peripheral subunit, named Elastin Binding Protein (EBP, associated to the Protective Protein/Cathepsin A (PPCA. The latter is bound to a membrane-associated protein called Neuraminidase-1 (Neu-1. The pro-tumoral effects of elastokines have been linked to their binding onto EBP. Additionally, Neu-1 sialidase activity is essential for their signal transduction. Consistently, EDP-EBP interaction and Neu-1 activity emerge as original anti-tumoral targets. Interestingly, besides its direct involvement in cancer progression, the ERC also regulates diabetes outcome and thrombosis, an important risk factor for cancer development and a vascular process highly increased in patients suffering from cancer. In this review, we will describe ERC and elastokines involvement in cancer development suggesting that this unique receptor would be a promising therapeutic target. We will also discuss the pharmacological concepts aiming at blocking its pro-tumoral activities. Finally, its emerging role in cancer-associated complications and pathologies such as diabetes and thrombotic events will be also considered.

  1. Radio elements / bottom salts separation by nano-filtration aided by complexation in a highly saline environment

    International Nuclear Information System (INIS)

    Gaubert, Eric

    1997-01-01

    This research thesis addresses the use of a membrane-based technique, nano-filtration, aided or not by complexation, for the processing of highly saline liquid effluents produced by radio-chemical decontamination. The objective is to separate non-radioactive elements (sodium nitrate) from radio-elements (caesium, strontium and actinides) in order to reduce the volume of wastes. Within the perspective of an industrial application, a system to concentrate the effluent is firstly defined. Different nano-filtration membranes are tested and reveal to be insufficient in highly saline environment. A stage of selective complexation of radio-elements is therefore considered before nano-filtration. The main factors affecting performance of nano-filtration-complexation (for a given membrane system) are identified: ionic force, pH, ligand content, trans-membrane pressure. Finally, a nano-filtration pilot is implemented to perform nano-filtration-complexation operations by remote handling on radioactive substances [fr

  2. Studying the causes of high chromium concentration in the leather production process at Tehran Charmshahr industrial complex

    Directory of Open Access Journals (Sweden)

    M. Mahdiabadi

    2016-04-01

      Results: The results indicated the existence of toxic pollutants such as Cr+3 and Cr+6 in leather wastewater, the relatively high level of organic loads with low biodegradability, high levels of COD, BOD, TDS and finally the complexity of the treatment of wastewater.

  3. Functional and structural analysis of photosystem II core complexes from spinach with high oxygen evolution capacity

    NARCIS (Netherlands)

    Haag, Elisabeth; Irrgang, Klaus-D.; Boekema, Egbert J.; Renger, Gernot

    1990-01-01

    Oxygen-evolving photo system II core complexes were prepared from spinach by solubilizing photosystem II membrane fragments with dodecyl-β-D-maltoside. The core complexes consist of the intrinsic 47-kDa, 43-kDa, D1 and D2 polypeptides, the two subunits of cytochrome b559 and the extrinsic 33-kDa

  4. Silver-organo-complex ink with high conductivity and inkjet stability

    KAUST Repository

    Vaseem, Mohammad

    2017-06-22

    A robust formulation of silver-organo-complex (SOC) ink and method of making same are provided. In an aspect, the complexing molecules act as reducing agents. The silver loaded ink can be printed and sintered on a wide range of substrates with uniform surface morphology and excellent adhesion.

  5. Silver-organo-complex ink with high conductivity and inkjet stability

    KAUST Repository

    Vaseem, Mohammad; McKerricher, Garret; Shamim, Atif

    2017-01-01

    A robust formulation of silver-organo-complex (SOC) ink and method of making same are provided. In an aspect, the complexing molecules act as reducing agents. The silver loaded ink can be printed and sintered on a wide range of substrates with uniform surface morphology and excellent adhesion.

  6. Formation of inclusion complexes between high amylose starch and octadecyl ferulate via steam jet cooking

    Science.gov (United States)

    Amylose can form inclusion complexes with guest molecules and represents an interesting approach to deliver bioactive molecules. However, ferulic acid has been shown not to form single helical inclusion complexes with amylose. To overcome this problem a ferulic acid ester, octadecyl ferulate, posses...

  7. Hydrogen-boron complexes in heavily boron-doped silicon treated with high concentration of hydrogen atoms

    International Nuclear Information System (INIS)

    Fukata, N.; Fukuda, S.; Sato, S.; Ishioka, K.; Kitajima, M.; Hishita, S.; Murakami, K.

    2006-01-01

    The formation of hydrogen (H)-related complexes was investigated in boron (B)-doped Si treated with high concentration of H. The isotope shifts of H-related Raman peaks by replacement of H to deuterium and 1 B to 11 B clearly showed the formation of the B-H complexes in which H directly bonds to B in Si. The results of the resistivity measurements suggested that the B acceptors are passivated via the formation of the B-H complexes, as well as the well-known passivation center in B-doped Si, namely, H-B passivation center

  8. Calculation procedure of temperature carditions of building-up and high frequency current brazing of articles of complex shape

    International Nuclear Information System (INIS)

    Ivnitskij, B.Ya.

    1984-01-01

    A technique of calculating the temperature regime of building-up and high frequency current brazing of articles of complex shape is suggested. The technique consists in division of complex detail into several simple components. Heat balances equation is compiled for each of them taking into account the heat exchange with other elements. It is possible to determine optimum regimes for heating and cooling rather efficiently using a computer

  9. Speaking under pressure: low linguistic complexity is linked to high physiological and emotional stress reactivity.

    Science.gov (United States)

    Saslow, Laura R; McCoy, Shannon; van der Löwe, Ilmo; Cosley, Brandon; Vartan, Arbi; Oveis, Christopher; Keltner, Dacher; Moskowitz, Judith T; Epel, Elissa S

    2014-03-01

    What can a speech reveal about someone's state? We tested the idea that greater stress reactivity would relate to lower linguistic cognitive complexity while speaking. In Study 1, we tested whether heart rate and emotional stress reactivity to a stressful discussion would relate to lower linguistic complexity. In Studies 2 and 3, we tested whether a greater cortisol response to a standardized stressful task including a speech (Trier Social Stress Test) would be linked to speaking with less linguistic complexity during the task. We found evidence that measures of stress responsivity (emotional and physiological) and chronic stress are tied to variability in the cognitive complexity of speech. Taken together, these results provide evidence that our individual experiences of stress or "stress signatures"-how our body and mind react to stress both in the moment and over the longer term-are linked to how complex our speech under stress. Copyright © 2013 Society for Psychophysiological Research.

  10. Measurements of complex impedance in microwave high power systems with a new bluetooth integrated circuit.

    Science.gov (United States)

    Roussy, Georges; Dichtel, Bernard; Chaabane, Haykel

    2003-01-01

    By using a new integrated circuit, which is marketed for bluetooth applications, it is possible to simplify the method of measuring the complex impedance, complex reflection coefficient and complex transmission coefficient in an industrial microwave setup. The Analog Devices circuit AD 8302, which measures gain and phase up to 2.7 GHz, operates with variable level input signals and is less sensitive to both amplitude and frequency fluctuations of the industrial magnetrons than are mixers and AM crystal detectors. Therefore, accurate gain and phase measurements can be performed with low stability generators. A mechanical setup with an AD 8302 is described; the calibration procedure and its performance are presented.

  11. Model of complex integrated use of alternative energy sources for highly urbanized areas

    Directory of Open Access Journals (Sweden)

    Ivanova Elena Ivanovna

    2014-04-01

    Full Text Available The increase of population and continuous development of highly urbanized territories poses new challenges to experts in the field of energy saving technologies. Only a multifunctional and autonomous system of building engineering equipment formed by the principles of energy efficiency and cost-effectiveness meets the needs of modern urban environment. Alternative energy sources, exploiting the principle of converting thermal energy into electrical power, show lack of efficiency, so it appears to be necessary for reaching a visible progress to skip this middle step. A fuel cell, converting chemical energy straight into electricity, and offering a vast diversity of both fuel types and oxidizing agents, gives a strong base for designing a complex integrated system. Regarding the results of analysis and comparison conducted among the most types of fuel cells proposed by contemporary scholars, a solid oxide fuel cell (SOFC is approved to be able to ensure the smooth operation of such a system. While the advantages of this device meet the requirements of engineering equipment for modern civil and, especially, dwelling architecture, its drawbacks do not contradict with the operating regime of the proposed system. The article introduces a model of a multifunctional system based on solid oxide fuel cell (SOFC and not only covering the energy demand of a particular building, but also providing the opportunity for proper and economical operation of several additional sub-systems. Air heating and water cooling equipment, ventilating and conditioning devices, the circle of water supply and preparation of water discharge for external use (e.g. agricultural needs included into a closed circuit of the integrated system allow evaluating it as a promising model of further implementation of energy saving technologies into architectural and building practice. This, consequently, will positively affect both ecological and economic development of urban environment.

  12. Status Report on the High-Throughput Characterization of Complex Intact O-Glycopeptide Mixtures

    Science.gov (United States)

    Pap, Adam; Klement, Eva; Hunyadi-Gulyas, Eva; Darula, Zsuzsanna; Medzihradszky, Katalin F.

    2018-05-01

    A very complex mixture of intact, human N- and O-glycopeptides, enriched from the tryptic digest of urinary proteins of three healthy donors using a two-step lectin affinity enrichment, was analyzed by LC-MS/MS, leading to approximately 45,000 glycopeptide EThcD spectra. Two search engines, Byonic and Protein Prospector, were used for the interpretation of the data, and N- and O-linked glycopeptides were assigned from separate searches. The identification rate was very low in all searches, even when results were combined. Thus, we investigated the reasons why was it so, to help to improve the identification success rate. Focusing on O-linked glycopeptides, we noticed that in EThcD, larger glycan oxonium ions better survive the activation than those in HCD. These fragments, combined with reducing terminal Y ions, provide important information about the glycan(s) present, so we investigated whether filtering the peaklists for glycan oxonium ions indicating the presence of a tetra- or hexasaccharide structure would help to reveal all molecules containing such glycans. Our study showed that intact glycans frequently do not survive even mild supplemental activation, meaning one cannot rely on these oxonium ions exclusively. We found that ETD efficiency is still a limiting factor, and for highly glycosylated peptides, the only information revealed in EThcD was related to the glycan structures. The limited overlap of results delivered by the two search engines draws attention to the fact that automated data interpretation of O-linked glycopeptides is not even close to being solved. [Figure not available: see fulltext.

  13. A high resolution complex terrain dispersion study in the Rocky Flats, Colorado vicinity

    International Nuclear Information System (INIS)

    Poulos, G.S.; Bossert, J.E.

    1992-01-01

    In January/February, 1991 an intensive set of measurements was taken around Rocky Flats near Denver, CO under the auspices of the Department of Energy Atmospheric Studies over Complex Terrain (ASCOT) program. This region of the country is known as the Front Range, and is characterized by a transition from the relatively flat terrain of the Great Plains to the highly varied terrain of the Rocky Mountains. One goal of the ASCOT 1991 program was to gain insight into multi-scale meteorological interaction by observing wintertime drainage conditions at the mountain-valley-plains interface. ASCOT data included surface and upper air measurements on approximately a 50km 2 scale. Simultaneously, an SF 6 tracer release study was being conducted around Rocky Flats, a nuclear materials production facility. Detailed surface concentration measurements were completed for the SF 6 plume. This combination of meteorological and tracer concentration data provided a unique data set for comparisons of mesoscale and dispersion modeling results with observations and for evaluating our capability to predict pollutant transport. Our approach is to use the Regional Atmospheric Modeling System (RAMS) mesoscale model to simulate atmospheric conditions and the Lagrangian Particle Dispersion Model (LPDM), a component of the RAMS system, to model the dispersion of the SF 6 . We have chosen the 4--5 February, 1991 overnight period as our case study. This night was characterized by strong drainage flows from the Rocky Mountains to the west of Rocky Flats, southerly winds in a layer about lkm thick above the drainage flows, and northwesterly winds above that layer extending to the tropopause

  14. Structural Characterization of a Thrombin-Aptamer Complex by High Resolution Native Top-Down Mass Spectrometry

    Science.gov (United States)

    Zhang, Jiang; Loo, Rachel R. Ogorzalek; Loo, Joseph A.

    2017-09-01

    Native mass spectrometry (MS) with electrospray ionization (ESI) has evolved as an invaluable tool for the characterization of intact native proteins and non-covalently bound protein complexes. Here we report the structural characterization by high resolution native top-down MS of human thrombin and its complex with the Bock thrombin binding aptamer (TBA), a 15-nucleotide DNA with high specificity and affinity for thrombin. Accurate mass measurements revealed that the predominant form of native human α-thrombin contains a glycosylation mass of 2205 Da, corresponding to a sialylated symmetric biantennary oligosaccharide structure without fucosylation. Native MS showed that thrombin and TBA predominantly form a 1:1 complex under near physiological conditions (pH 6.8, 200 mM NH4OAc), but the binding stoichiometry is influenced by the solution ionic strength. In 20 mM ammonium acetate solution, up to two TBAs were bound to thrombin, whereas increasing the solution ionic strength destabilized the thrombin-TBA complex and 1 M NH4OAc nearly completely dissociated the complex. This observation is consistent with the mediation of thrombin-aptamer binding through electrostatic interactions and it is further consistent with the human thrombin structure that contains two anion binding sites on the surface. Electron capture dissociation (ECD) top-down MS of the thrombin-TBA complex performed with a high resolution 15 Tesla Fourier transform ion cyclotron resonance (FTICR) mass spectrometer showed the primary binding site to be at exosite I located near the N-terminal sequence of the heavy chain, consistent with crystallographic data. High resolution native top-down MS is complementary to traditional structural biology methods for structurally characterizing native proteins and protein-DNA complexes. [Figure not available: see fulltext.

  15. High pressure near infrared study of the mutated light-harvesting complex LH2

    Directory of Open Access Journals (Sweden)

    Braun P.

    2005-01-01

    Full Text Available The pressure sensitivities of the near infrared spectra of the light-harvesting (LH2 complex and a mutant complex with a simplified BChl-B850 binding pocket were compared. In the mutant an abrupt change in the spectral properties occurred at 250 MPa, which was not observed with the native sample. Increased disorder due to collapse of the chromophore pocket is suggested.

  16. Optimation and Determination of Fe-Oxinate Complex by Using High Performance Liquid Chromatography

    Science.gov (United States)

    Oktavia, B.; Nasra, E.; Sary, R. C.

    2018-04-01

    The need for iron will improve the industrial processes that require iron as its raw material. Control of industrial iron waste is very important to do. One method of iron analysis is to conduct indirect analysis of iron (III) ions by complexing with 8-Hydroxyquinoline or oxine. In this research, qualitative and quantitative tests of iron (III) ions in the form of complex with oxine. The analysis was performed using HPLC at a wavelength of 470 nm with an ODS C18 column. Three methods of analysis were performed: 1) Fe-oxinate complexes were prepared in an ethanol solvent so no need for separation anymore, (2) Fe-oxinate complexes were made in chloroform so that a solvent extraction was required before the complex was injected into the column while the third complex was formed in the column, wherein the eluent contains the oxide and the metal ions are then injected. The resulting chromatogram shows that the 3rd way provides a better chromatogram for iron analysis.

  17. Evidence for high-pressure-induced rupture of hydrogen bonds in LH2 photosynthetic antenna pigment-protein complexes

    International Nuclear Information System (INIS)

    Kangur, L; Leiger, K; Freiberg, A

    2008-01-01

    The bacteriochlorophyll a-containing LH2 light harvesting complex is an integral membrane protein that catalyzes the photosynthetic process in purple photosynthetic bacteria. The LH2 complexes from Rhodobacter sphaeroides show characteristic strong absorbance at 800 and 850 nm due to the bacteriochlorophyll a molecules confined in two separate areas of the protein. Using these cofactors as intrinsic probes to monitor changes in membrane protein structure, we investigate the response to high hydrostatic pressure up to 2.1 GPa of LH2 complexes embedded into natural membrane environment or extracted with detergent. We demonstrate that high pressure does induce significant alterations to the tertiary structure of the protein in proximity of the protein-bound bacteriochlorophyll a molecules, including breakage of the hydrogen bond they are involved in. The membrane-embedded complexes appear more resilient to damaging effects of the compression than the complexes extracted into detergent environment. This difference has tentatively been explained by more compact structure of the membrane-embedded complexes

  18. Evidence for high-pressure-induced rupture of hydrogen bonds in LH2 photosynthetic antenna pigment-protein complexes

    Energy Technology Data Exchange (ETDEWEB)

    Kangur, L; Leiger, K; Freiberg, A [Institute of Physics, University of Tartu, Riia 142, Tartu 51014 (Estonia)

    2008-07-15

    The bacteriochlorophyll a-containing LH2 light harvesting complex is an integral membrane protein that catalyzes the photosynthetic process in purple photosynthetic bacteria. The LH2 complexes from Rhodobacter sphaeroides show characteristic strong absorbance at 800 and 850 nm due to the bacteriochlorophyll a molecules confined in two separate areas of the protein. Using these cofactors as intrinsic probes to monitor changes in membrane protein structure, we investigate the response to high hydrostatic pressure up to 2.1 GPa of LH2 complexes embedded into natural membrane environment or extracted with detergent. We demonstrate that high pressure does induce significant alterations to the tertiary structure of the protein in proximity of the protein-bound bacteriochlorophyll a molecules, including breakage of the hydrogen bond they are involved in. The membrane-embedded complexes appear more resilient to damaging effects of the compression than the complexes extracted into detergent environment. This difference has tentatively been explained by more compact structure of the membrane-embedded complexes.

  19. [Complex formation between alpha-chymotrypsin and block copolymers based on ethylene and propylene oxide, induced by high pressure].

    Science.gov (United States)

    Topchieva, I N; Sorokina, E M; Kurganov, B I; Zhulin, V M; Makarova, Z G

    1996-06-01

    A new method of formation of non-covalent adducts based on an amphiphilic diblock copolymer of ethylene and propylene oxides with molecular mass of 2 kDa and alpha-chymotrypsin (ChT) under high pressure, has been developed. The composition of the complexes corresponds to seven polymer molecules per one ChT molecule in the pressure range of 1.1 to 400 MPa. The complexes fully retain the catalytic activity. Kinetic constants (Km and kcat) for enzymatic hydrolysis of N-benzoyl-L-tyrosine ethyl ester catalyzed by the complexes are identical with the corresponding values for native ChT. Analysis of kinetics of thermal inactivation of the complexes revealed that the constant of the rate of the slow inactivation step is markedly lower than for ChT.

  20. Complexity reduction in the H.264/AVC using highly adaptive fast mode decision based on macroblock motion activity

    Science.gov (United States)

    Abdellah, Skoudarli; Mokhtar, Nibouche; Amina, Serir

    2015-11-01

    The H.264/AVC video coding standard is used in a wide range of applications from video conferencing to high-definition television according to its high compression efficiency. This efficiency is mainly acquired from the newly allowed prediction schemes including variable block modes. However, these schemes require a high complexity to select the optimal mode. Consequently, complexity reduction in the H.264/AVC encoder has recently become a very challenging task in the video compression domain, especially when implementing the encoder in real-time applications. Fast mode decision algorithms play an important role in reducing the overall complexity of the encoder. In this paper, we propose an adaptive fast intermode algorithm based on motion activity, temporal stationarity, and spatial homogeneity. This algorithm predicts the motion activity of the current macroblock from its neighboring blocks and identifies temporal stationary regions and spatially homogeneous regions using adaptive threshold values based on content video features. Extensive experimental work has been done in high profile, and results show that the proposed source-coding algorithm effectively reduces the computational complexity by 53.18% on average compared with the reference software encoder, while maintaining the high-coding efficiency of H.264/AVC by incurring only 0.097 dB in total peak signal-to-noise ratio and 0.228% increment on the total bit rate.

  1. THE FORMATION OF DESIGN AND ORGANIZATIONAL AND TECHNOLOGICAL DECISIONS OF THE CONSTRUCTION OF HIGH-RISE MULTIPURPOSE COMPLEXES

    Directory of Open Access Journals (Sweden)

    BOLSHAKOV V. I.

    2016-05-01

    Full Text Available Purpose. The formation of the many ways the construction of high-rise multipurpose complexes. Methodology. The formation of system implementation variants of creation and functioning of high-rise multipurpose complexes using combinatorial morphological analysis and synthesis. Findings. Many life cycle options of high-rise multipurpose complexes. Originality. The developed method of formation of organizational and technological solutions adapted to the conditions of the construction of high-rise multipurpose complexes, which provides the opportunity for multi-variant conditions, taking into account regulatory requirements for fire safety, insolation of buildings and premises, protection against noise and vibration, energy efficiency, infrastructure and population density of a residential district with a full range of institutions and enterprises of local significance, within existing resource constraints, to ensure the commissioning of objects with specified technical and economic characteristics. Practical value. The proposed model and the methodology allow to determine a rational variant of high-rise building according to specified criteria and constraints.

  2. Photoelectrochemical Complexes of Fucoxanthin-Chlorophyll Protein for Bio-Photovoltaic Conversion with a High Open-Circuit Photovoltage.

    Science.gov (United States)

    Zhang, Tianning; Liu, Cheng; Dong, Wenjing; Wang, Wenda; Sun, Yan; Chen, Xin; Yang, Chunhong; Dai, Ning

    2017-12-05

    Open-circuit photovoltage (V oc ) is among the critical parameters for achieving an efficient light-to-charge conversion in existing solar photovoltaic devices. Natural photosynthesis exploits light-harvesting chlorophyll (Chl) protein complexes to transfer sunlight energy efficiently. We describe the exploitation of photosynthetic fucoxanthin-chlorophyll protein (FCP) complexes for realizing photoelectrochemical cells with a high V oc . An antenna-dependent photocurrent response and a V oc up to 0.72 V are observed and demonstrated in the bio-photovoltaic devices fabricated with photosynthetic FCP complexes and TiO 2 nanostructures. Such high V oc is determined by fucoxanthin in FCP complexes, and is rarely found in photoelectrochemical cells with other natural light-harvesting antenna. We think that the FCP-based bio-photovoltaic conversion will provide an opportunity to fabricate environmental benign photoelectrochemical cells with high V oc , and also help improve the understanding of the essential physics behind the light-to-charge conversion in photosynthetic complexes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Low Complexity Approach for High Throughput Belief-Propagation based Decoding of LDPC Codes

    Directory of Open Access Journals (Sweden)

    BOT, A.

    2013-11-01

    Full Text Available The paper proposes a low complexity belief propagation (BP based decoding algorithm for LDPC codes. In spite of the iterative nature of the decoding process, the proposed algorithm provides both reduced complexity and increased BER performances as compared with the classic min-sum (MS algorithm, generally used for hardware implementations. Linear approximations of check-nodes update function are used in order to reduce the complexity of the BP algorithm. Considering this decoding approach, an FPGA based hardware architecture is proposed for implementing the decoding algorithm, aiming to increase the decoder throughput. FPGA technology was chosen for the LDPC decoder implementation, due to its parallel computation and reconfiguration capabilities. The obtained results show improvements regarding decoding throughput and BER performances compared with state-of-the-art approaches.

  4. High-resolution crystal structure of Streptococcus pyogenes β-NAD{sup +} glycohydrolase in complex with its endogenous inhibitor IFS reveals a highly water-rich interface

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Ji Young; An, Doo Ri; Yoon, Hye-Jin [Seoul National University, Seoul 151-747 (Korea, Republic of); Kim, Hyoun Sook [Seoul National University, Seoul 151-747 (Korea, Republic of); Seoul National University, Seoul 151-742 (Korea, Republic of); Lee, Sang Jae [Seoul National University, Seoul 151-742 (Korea, Republic of); Im, Ha Na; Jang, Jun Young [Seoul National University, Seoul 151-747 (Korea, Republic of); Suh, Se Won, E-mail: sewonsuh@snu.ac.kr [Seoul National University, Seoul 151-747 (Korea, Republic of); Seoul National University, Seoul 151-747 (Korea, Republic of)

    2013-11-01

    The crystal structure of the complex between the C-terminal domain of Streptococcus pyogenes β-NAD{sup +} glycohydrolase and an endogenous inhibitor for SPN was determined at 1.70 Å. It reveals that the interface between the two proteins is highly rich in water molecules. One of the virulence factors produced by Streptococcus pyogenes is β-NAD{sup +} glycohydrolase (SPN). S. pyogenes injects SPN into the cytosol of an infected host cell using the cytolysin-mediated translocation pathway. As SPN is toxic to bacterial cells themselves, S. pyogenes possesses the ifs gene that encodes an endogenous inhibitor for SPN (IFS). IFS is localized intracellularly and forms a complex with SPN. This intracellular complex must be dissociated during export through the cell envelope. To provide a structural basis for understanding the interactions between SPN and IFS, the complex was overexpressed between the mature SPN (residues 38–451) and the full-length IFS (residues 1–161), but it could not be crystallized. Therefore, limited proteolysis was used to isolate a crystallizable SPN{sub ct}–IFS complex, which consists of the SPN C-terminal domain (SPN{sub ct}; residues 193–451) and the full-length IFS. Its crystal structure has been determined by single anomalous diffraction and the model refined at 1.70 Å resolution. Interestingly, our high-resolution structure of the complex reveals that the interface between SPN{sub ct} and IFS is highly rich in water molecules and many of the interactions are water-mediated. The wet interface may facilitate the dissociation of the complex for translocation across the cell envelope.

  5. High-resolution crystal structure of Streptococcus pyogenes β-NAD+ glycohydrolase in complex with its endogenous inhibitor IFS reveals a highly water-rich interface

    International Nuclear Information System (INIS)

    Yoon, Ji Young; An, Doo Ri; Yoon, Hye-Jin; Kim, Hyoun Sook; Lee, Sang Jae; Im, Ha Na; Jang, Jun Young; Suh, Se Won

    2013-01-01

    The crystal structure of the complex between the C-terminal domain of Streptococcus pyogenes β-NAD + glycohydrolase and an endogenous inhibitor for SPN was determined at 1.70 Å. It reveals that the interface between the two proteins is highly rich in water molecules. One of the virulence factors produced by Streptococcus pyogenes is β-NAD + glycohydrolase (SPN). S. pyogenes injects SPN into the cytosol of an infected host cell using the cytolysin-mediated translocation pathway. As SPN is toxic to bacterial cells themselves, S. pyogenes possesses the ifs gene that encodes an endogenous inhibitor for SPN (IFS). IFS is localized intracellularly and forms a complex with SPN. This intracellular complex must be dissociated during export through the cell envelope. To provide a structural basis for understanding the interactions between SPN and IFS, the complex was overexpressed between the mature SPN (residues 38–451) and the full-length IFS (residues 1–161), but it could not be crystallized. Therefore, limited proteolysis was used to isolate a crystallizable SPN ct –IFS complex, which consists of the SPN C-terminal domain (SPN ct ; residues 193–451) and the full-length IFS. Its crystal structure has been determined by single anomalous diffraction and the model refined at 1.70 Å resolution. Interestingly, our high-resolution structure of the complex reveals that the interface between SPN ct and IFS is highly rich in water molecules and many of the interactions are water-mediated. The wet interface may facilitate the dissociation of the complex for translocation across the cell envelope

  6. Fluorographene as a Mass Spectrometry Probe for High-Throughput Identification and Screening of Emerging Chemical Contaminants in Complex Samples.

    Science.gov (United States)

    Huang, Xiu; Liu, Qian; Huang, Xiaoyu; Nie, Zhou; Ruan, Ting; Du, Yuguo; Jiang, Guibin

    2017-01-17

    Mass spectrometry techniques for high-throughput analysis of complex samples are of profound importance in many areas such as food safety, omics studies, and environmental health science. Here we report the use of fluorographene (FG) as a new mass spectrometry probe for high-throughput identification and screening of emerging chemical contaminants in complex samples. FG was facilely synthesized by one-step exfoliation of fluorographite. With FG as a matrix or probe in matrix-assisted or surface-enhanced laser desorption/ionization time-of-flight mass spectrometry (MALDI- or SELDI-TOF MS), higher sensitivity (detection limits at ppt or subppt levels), and better reproducibility were achieved than with other graphene-based materials due to the unique chemical structure and self-assembly properties of FG. The method was validated with different types of real complex samples. By using FG as a SELDI probe, we could easily detect trace amount of bisphenol S in paper products and high-fat canned food samples. Furthermore, we have successfully identified and screened as many as 28 quaternary ammonium halides in sewage sludge samples collected from municipal wastewater treatment plants. These results demonstrate that FG probe is a powerful tool for high-throughput analysis of complex samples by MS.

  7. Poly(vinyl alcohol) composite films with high percent elongation prepared from amylose-fatty ammonium salt inclusion complexes

    Science.gov (United States)

    Amylose inclusion complexes prepared from cationic fatty ammonium salts and jet-cooked high amylose starch were combined with poly(vinyl alcohol) (PVOH) to form glycerol-plasticized films. Their tensile properties were compared with similar films prepared previously with analogous anionic fatty acid...

  8. Feasibility of using microbiology diagnostic tests of moderate or high complexity at the point - of - care in a delivery suite.

    Science.gov (United States)

    Gray, J W; Milner, P J; Edwards, E H; Daniels, J P; Khan, K S

    2012-07-01

    Point-of-care testing (POCT) is one of the fastest growing sectors of laboratory diagnostics. Most tests in routine use are haematology or biochemistry tests that are of low complexity. Microbiology POCT has been constrained by a lack of tests that are both accurate and of low complexity. We describe our experience of the practical issues around using more complex POCT for detection of Group B streptococci (GBS) in swabs from labouring women. We evaluated two tests for their feasibility in POCT: an optical immune assay (Biostar OIA Strep B, Inverness Medical, Princetown, NJ) and a PCR (IDI-Strep B, Cepheid, Sunnyvale, CA), which have been categorised as being of moderate and high complexity, respectively. A total of 12 unqualified midwifery assistants (MA) were trained to undertake testing on the delivery suite. A systematic approach to the introduction and management of POC testing was used. Modelling showed that the probability of test results being available within a clinically useful timescale was high. However, in the clinical setting, we found it impossible to maintain reliable availability of trained testers. Implementation of more complex POC testing is technically feasible, but it is expensive, and may be difficult to achieve in a busy delivery suite.

  9. High-efficiency red-light emission from polyfluorenes grafted with cyclometalated iridium complexes and charge transport moiety.

    Science.gov (United States)

    Chen, Xiwen; Liao, Jin-Long; Liang, Yongmin; Ahmed, M O; Tseng, Hao-En; Chen, Show-An

    2003-01-22

    We report a new route for the design of electroluminescent polymers by grafting high-efficiency phosphorescent organometallic complexes as dopants and charge transport moieties onto alky side chains of fully conjugated polymers for polymer light-emitting diodes (PLED) with single layer/single polymers. The polymer system studied involves polyfluorene (PF) as the base conjugated polymer, carbazole (Cz) as the charge transport moiety and a source for green emission by forming an electroplex with the PF main chain, and cyclometalated iridium (Ir) complexes as the phosphorescent dopant. Energy transfer from the green Ir complex or an electroplex formed between the fluorene main chain and side-chain carbazole moieties, in addition to that from the PF main chain, to the red Ir complex can significantly enhance the device performance, and a red light-emitting device with the high efficiency 2.8 cd/A at 7 V and 65 cd/m2, comparable to that of the same Ir complex-based OLED, and a broad-band light-emitting device containing blue, green, and red peaks (2.16 cd/A at 9 V) are obtained.

  10. Antidiabetic Effects of Carassius auratus Complex Formula in High Fat Diet Combined Streptozotocin-Induced Diabetic Mice

    Directory of Open Access Journals (Sweden)

    Zhi-Hong Wang

    2014-01-01

    Full Text Available Carassius auratus complex formula, including Carassius auratus, Rhizoma dioscoreae, Lycium chinense, and Rehmannia glutinosa Libosch, is a combination prescription of traditional Chinese medicine, which has always been used to treat diabetes mellitus in ancient China. In this study, we provided experimental evidence for the use of Carassius auratus complex formula in the treatment of high fat diet combined streptozotocin- (STZ- induced type 2 diabetes. Carassius auratus complex formula aqueous extract was prepared and the effects of it on blood glucose, serum insulin, adipose tissue weight, oral glucose tolerance test (OGTT, total cholesterol, and triglyceride (TG levels in mice were measured. Moreover, adiponectin, TG synthesis related gene expressions, and the inhibitory effect of aldose reductase (AR were performed to evaluate its antidiabetic effects. After the 8-week treatment, blood glucose, insulin levels, and adipose tissue weight were significantly decreased. OGTT and HOMA-IR index showed improved glucose tolerance. It could also lower plasma TG, TC, and liver TG levels. Furthermore, Carassius auratus complex formula could inhibit the activity of AR and restore adiponectin expression in serum. Based on these findings, it is suggested that Carassius auratus complex formula possesses potent anti-diabetic effects on high fat diet combined STZ-induced diabetic mice.

  11. Highly efficient photocatalytic hydrogen evolution from nickel quinolinethiolate complexes under visible light irradiation

    Science.gov (United States)

    Rao, Heng; Yu, Wen-Qian; Zheng, Hui-Qin; Bonin, Julien; Fan, Yao-Ting; Hou, Hong-Wei

    2016-08-01

    Earth-abundant metal complexes have emerged as promising surrogates of platinum for catalyzing the hydrogen evolution reaction (HER). In this study, we report the design and synthesis of two novel nickel quinolinethiolate complexes, namely [Ni(Hqt)2(4, 4‧-Z-2, 2‧-bpy)] (Hqt = 8-quinolinethiol, Z = sbnd H [1] or sbnd CH3 [2], bpy = bipyridine). An efficient three-component photocatalytic homogeneous system for hydrogen generation working under visible light irradiation was constructed by using the target complexes as catalysts, triethylamine (TEA) as sacrificial electron donor and xanthene dyes as photosensitizer. We obtain turnover numbers (TON, vs. catalyst) for H2 evolution of 5923/7634 under the optimal conditions with 5.0 × 10-6 M complex 1/2 respectively, 1.0 × 10-3 M fluorescein and 5% (v/v) TEA at pH 12.3 in EtOH/H2O (1:1, v/v) mixture after 8 h irradiation (λ > 420 nm). We discuss the mechanism of H2 evolution in the homogeneous photocatalytic system based on fluorescence spectrum and cyclic voltammetry data.

  12. Addressing the Needs of Adolescents with Autism Spectrum Disorder: Considerations and Complexities for High School Interventions

    Science.gov (United States)

    Kucharczyk, Suzanne; Reutebuch, Colleen K.; Carter, Erik W.; Hedges, Susan; El Zein, Farah; Gustafson, Jenny R.

    2015-01-01

    The outcomes of students with autism spectrum disorder (ASD) are driving the field to address how secondary education might be optimally designed and delivered. We conducted 28 focus groups across four states to explore the contexts, considerations, and complexities associated with delivering and combining evidence-based interventions to meet the…

  13. A new high-throughput LC-MS method for the analysis of complex fructan mixtures

    DEFF Research Database (Denmark)

    Verspreet, Joran; Hansen, Anders Holmgaard; Dornez, Emmie

    2014-01-01

    In this paper, a new liquid chromatography-mass spectrometry (LC-MS) method for the analysis of complex fructan mixtures is presented. In this method, columns with a trifunctional C18 alkyl stationary phase (T3) were used and their performance compared with that of a porous graphitized carbon (PGC...

  14. Surface Wind Regionalization over Complex Terrain: Evaluation and Analysis of a High-Resolution WRF Simulation

    NARCIS (Netherlands)

    Jiménez, P.A.; González-Rouco, J.F.; García-Bustamante, E.; Navarro, J.; Montávez, J.P.; Vilà-Guerau de Arellano, J.; Dudhia, J.; Muñoz-Roldan, A.

    2010-01-01

    This study analyzes the daily-mean surface wind variability over an area characterized by complex topography through comparing observations and a 2-km-spatial-resolution simulation performed with the Weather Research and Forecasting (WRF) model for the period 1992–2005. The evaluation focuses on the

  15. Complex catalysts from self-repairing ensembles to highly reactive air-based oxidation systems

    Science.gov (United States)

    Craig L. Hill; Laurent Delannoy; Dean C. Duncan; Ira A. Weinstock; Roman F. Renneke; Richard S. Reiner; Rajai H. Atalla; Jong Woo Han; Daniel A. Hillesheim; Rui Cao; Travis M. Anderson; Nelya M. Okun; Djamaladdin G. Musaev; Yurii V. Geletii

    2007-01-01

    Progress in four interrelated catalysis research efforts in our laboratory are summarized: (1) catalytic photochemical functionalization of unactivated CeH bonds by polyoxometalates (POMs); (2) self-repairing catalysts; (3) catalysts for air-based oxidations under ambient conditions; and (4) terminal oxo complexes of the late-transition metal elements and their...

  16. Theoretical studies on BTA-Metal (M=Ni, Cu) Complexes as High ...

    Indian Academy of Sciences (India)

    Density Functional Theory (DFT) was used to predict the optimized geometry of the complexes at TPSS/. 6-311G(d,p) ..... the molecules using Monte Carlo integration method as ..... age value that reflects the 50% probability of detona- tion.

  17. Design, synthesis and characterization of a highly luminescent Eu-complex monomer featuring thenoyltrifluoroacetone and 5-acryloxyethoxymethyl-8-hydroxyquinoline

    Energy Technology Data Exchange (ETDEWEB)

    Xu Cunjin [State Key Laboratory of Chemical Engineering, Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou 310027 (China); College of Material, Chemistry and Chemical Engineering, Hangzhou Normal University, Hangzhou 310036 (China); Li Bogeng, E-mail: bgli@zju.edu.cn [State Key Laboratory of Chemical Engineering, Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou 310027 (China); Wan Jintao; Bu Zhiyang [State Key Laboratory of Chemical Engineering, Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou 310027 (China)

    2011-08-15

    A multi-functional ligand, 5-acryloxyethoxymethyl-8-hydroxyquinoline (Hamq), was synthesized, which contained a polymerizable C=C double bond for the copolymerization with other vinyl monomers and acted as photon antenna able to transfer energy to Eu{sup 3+} ions effectively. The triplet state energy of Hamq was determined to be 22,370 cm{sup -1} via the phosphorescence spectra of Hamq and its gadolinium complex. The title complex monomer Eu(tta){sub 2}(amq) was prepared by coordination reaction of Hamq with europium isopropoxide and 2-thenoyltrifluoroacetone (Htta) in dry organic solvents under argon atmosphere and characterized by elemental analysis and IR spectrum. The photophysical properties of the complex were studied in detail with UV-vis, luminescence spectra, luminescence lifetime and quantum yield. The complex exhibited nearly monochromatic red emission at 612 nm, a remarkable luminescence quantum yield at room temperature (30.6%) upon ligand excitation and a long {sup 5}D{sub 0} lifetime (389 {mu}s), which indicated that the ligand Hamq could sensitize the luminescence of Eu(III) ion efficiently in Eu(tta){sub 2}(amq), resulting in a strong luminescence of its copolymer poly[MMA-co-Eu(TTA){sub 2}(amq)] under UV excitation. The excellent luminescence properties of the complex made it not only a promising light-conversion molecular device but also an excellent luminescent monomer. - Highlights: >iWe designed and synthesized a highly luminescent Eu-complex monomer. > Quantum yield and lifetime of the complex are 30.6% and 389 {mu}s, respectively. > Excellent luminescence of the complex made it an excellent luminescent monomer.

  18. Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-defined Manganese(II) Complex

    KAUST Repository

    Brzozowska, Aleksandra; Azofra, Luis Miguel; Zubar, Viktoriia; Atodiresei, Iuliana; Cavallo, Luigi; Rueping, Magnus; El-Sepelgy, Osama

    2018-01-01

    The first example of manganese catalyzed semihydrogenation of internal alkynes to (Z)-alkenes using ammonia borane as a hydrogen donor is reported. The reaction is catalyzed by a pincer complex of the earth abundant manganese(II) salt in the absence of any additives, base or super hydride. The ammonia borane smoothly reduces the manganese pre-catalyst [Mn(II)-PNP][Cl]2 to the catalytically active species [Mn(I)-PNP]-hydride in the triplet spin state. This manganese hydride is highly stabilized by complexation with the alkyne substrate. Computational DFT analysis studies of the reaction mechanism rationalizes the origin of stereoselectivity towards formation of (Z)-alkenes.

  19. A Low-Complexity and High-Performance 2D Look-Up Table for LDPC Hardware Implementation

    Science.gov (United States)

    Chen, Jung-Chieh; Yang, Po-Hui; Lain, Jenn-Kaie; Chung, Tzu-Wen

    In this paper, we propose a low-complexity, high-efficiency two-dimensional look-up table (2D LUT) for carrying out the sum-product algorithm in the decoding of low-density parity-check (LDPC) codes. Instead of employing adders for the core operation when updating check node messages, in the proposed scheme, the main term and correction factor of the core operation are successfully merged into a compact 2D LUT. Simulation results indicate that the proposed 2D LUT not only attains close-to-optimal bit error rate performance but also enjoys a low complexity advantage that is suitable for hardware implementation.

  20. Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-defined Manganese(II) Complex

    KAUST Repository

    Brzozowska, Aleksandra

    2018-03-30

    The first example of manganese catalyzed semihydrogenation of internal alkynes to (Z)-alkenes using ammonia borane as a hydrogen donor is reported. The reaction is catalyzed by a pincer complex of the earth abundant manganese(II) salt in the absence of any additives, base or super hydride. The ammonia borane smoothly reduces the manganese pre-catalyst [Mn(II)-PNP][Cl]2 to the catalytically active species [Mn(I)-PNP]-hydride in the triplet spin state. This manganese hydride is highly stabilized by complexation with the alkyne substrate. Computational DFT analysis studies of the reaction mechanism rationalizes the origin of stereoselectivity towards formation of (Z)-alkenes.

  1. Research on the development efficiency of regional high-end talent in China: A complex network approach.

    Science.gov (United States)

    Zhang, Zhen; Wang, Minggang; Tian, Lixin; Zhang, Wenbin

    2017-01-01

    In this paper, based on the panel data of 31 provinces and cities in China from 1991 to 2016, the regional development efficiency matrix of high-end talent is obtained by DEA method, and the matrix is converted into a continuous change of complex networks through the construction of sliding window. Using a series of continuous changes in the complex network topology statistics, the characteristics of regional high-end talent development efficiency system are analyzed. And the results show that the average development efficiency of high-end talent in the western region is at a low level. After 2005, the national regional high-end talent development efficiency network has both short-range relevance and long-range relevance in the evolution process. The central region plays an important intermediary role in the national regional high-end talent development system. And the western region has high clustering characteristics. With the implementation of the high-end talent policies with regional characteristics by different provinces and cities, the relevance of high-end talent development efficiency in various provinces and cities presents a weakening trend, and the geographical characteristics of high-end talent are more and more obvious.

  2. (II) complexes

    African Journals Online (AJOL)

    activities of Schiff base tin (II) complexes. Neelofar1 ... Conclusion: All synthesized Schiff bases and their Tin (II) complexes showed high antimicrobial and ...... Singh HL. Synthesis and characterization of tin (II) complexes of fluorinated Schiff bases derived from amino acids. Spectrochim Acta Part A: Molec Biomolec.

  3. PRESENT-DAY GALACTIC EVOLUTION: LOW-METALLICITY, WARM, IONIZED GAS INFLOW ASSOCIATED WITH HIGH-VELOCITY CLOUD COMPLEX A

    Energy Technology Data Exchange (ETDEWEB)

    Barger, K. A.; Haffner, L. M.; Wakker, B. P.; Hill, Alex S. [Department of Astronomy, University of Wisconsin-Madison, Madison, WI 53706 (United States); Madsen, G. J. [Sydney Institute for Astronomy, School of Physics, University of Sydney, NSW 2006 (Australia); Duncan, A. K., E-mail: kbarger@astro.wisc.edu, E-mail: haffner@astro.wisc.edu, E-mail: Alex.Hill@csiro.au, E-mail: wakker@astro.wisc.edu, E-mail: greg.madsen@sydney.edu.au [Rose-Hulman Institute of Technology, Terre Haute, IN 47803 (United States)

    2012-12-20

    The high-velocity cloud Complex A is a probe of the physical conditions in the Galactic halo. The kinematics, morphology, distance, and metallicity of Complex A indicate that it represents new material that is accreting onto the Galaxy. We present Wisconsin H{alpha} Mapper kinematically resolved observations of Complex A over the velocity range of -250 to -50 km s{sup -1} in the local standard of rest reference frame. These observations include the first full H{alpha} intensity map of Complex A across (l, b) = (124 Degree-Sign , 18 Degree-Sign ) to (171 Degree-Sign , 53 Degree-Sign ) and deep targeted observations in H{alpha}, [S II] {lambda}6716, [N II] {lambda}6584, and [O I] {lambda}6300 toward regions with high H I column densities, background quasars, and stars. The H{alpha} data imply that the masses of neutral and ionized material in the cloud are similar, both being greater than 10{sup 6} M{sub Sun }. We find that the Bland-Hawthorn and Maloney model for the intensity of the ionizing radiation near the Milky Way is consistent with the known distance of the high-latitude part of Complex A and an assumed cloud geometry that puts the lower-latitude parts of the cloud at a distance of 7-8 kpc. This compatibility implies a 5% ionizing photon escape fraction from the Galactic disk. We also provide the nitrogen and sulfur upper abundance solutions for a series of temperatures, metallicities, and cloud configurations for purely photoionized gas; these solutions are consistent with the sub-solar abundances found by previous studies, especially for temperatures above 10{sup 4} K or for gas with a high fraction of singly ionized nitrogen and sulfur.

  4. Ammonia complexes of metals in aqueous solutions with high concentrations of ammonia

    International Nuclear Information System (INIS)

    Padar, T.G.; Novikov, L.K.; Stupko, T.V.; Isaev, I.D.; Pashkov, G.L.; Mironov, V.E.

    1991-01-01

    Potentiometric method, glass electrodes and Bierrum function were used to study the formation of ammonia complexes of magnesium, calcium, cadmium, zinc, copper(2) and silver in 2.0 mol/dm 3 aqueous solutions of ammonia nitrate with 0-18 mol/dm 3 ammonia concentrations at 25.0 deg C. Step constants of stability of studied complexes were calculated and their compositions were determined with account of nonideal character of aqueous-salt solutions with ammonia concentrations above 1.0 mol/dm 3 . Values of correction effects on salting out ammonia action for Bierrum function in solutions with 1.0-18 mol/dm 3 ammonia concentrations were found

  5. RTL validation methodology on high complexity wireless microcontroller using OVM technique for fast time to market

    Directory of Open Access Journals (Sweden)

    Muhammad Nurul Zhafirah

    2017-01-01

    Full Text Available Increased demand in internet of thing (IOT application based has inadvertently forced the move towards higher complexity of integrated circuit supporting SoC. Such spontaneous increased in complexity poses unequivocal complicated validation strategies. Hence, the complexity allows researchers to come out with various exceptional methodologies in order to overcome this problem. This in essence brings about the discovery of dynamic verification, formal verification and hybrid techniques. In reserve, it is very important to discover bugs at infancy of verification process in (SoC in order to reduce time consuming and fast time to market for the system. Ergo, in this paper we are focusing on the methodology of verification that can be done at Register Transfer Level of SoC based on the AMBA bus design. On top of that, the discovery of others verification method called Open Verification Methodology (OVM brings out an easier way in RTL validation methodology neither as the replacement for the traditional method yet as an effort for fast time to market for the system. Thus, the method called OVM is proposed in this paper as the verification method for larger design to avert the disclosure of the bottleneck in validation platform.

  6. RTL validation methodology on high complexity wireless microcontroller using OVM technique for fast time to market

    Science.gov (United States)

    Zhafirah Muhammad, Nurul; Harun, A.; Hambali, N. A. M. A.; Murad, S. A. Z.; Mohyar, S. N.; Isa, M. N.; Jambek, AB

    2017-11-01

    Increased demand in internet of thing (IOT) application based has inadvertently forced the move towards higher complexity of integrated circuit supporting SoC. Such spontaneous increased in complexity poses unequivocal complicated validation strategies. Hence, the complexity allows researchers to come out with various exceptional methodologies in order to overcome this problem. This in essence brings about the discovery of dynamic verification, formal verification and hybrid techniques. In reserve, it is very important to discover bugs at infancy of verification process in (SoC) in order to reduce time consuming and fast time to market for the system. Ergo, in this paper we are focusing on the methodology of verification that can be done at Register Transfer Level of SoC based on the AMBA bus design. On top of that, the discovery of others verification method called Open Verification Methodology (OVM) brings out an easier way in RTL validation methodology neither as the replacement for the traditional method yet as an effort for fast time to market for the system. Thus, the method called OVM is proposed in this paper as the verification method for larger design to avert the disclosure of the bottleneck in validation platform.

  7. Investigating the Appropriateness of the TACOM Measure: Application to the Complexity of Proceduralized Tasks for High Speed Train Drivers

    International Nuclear Information System (INIS)

    Park, Jin Kyun; Jung, Won Dea; Ko, Jong Hyun

    2010-01-01

    According to wide-spread experience in many industries, a procedure is one of the most effective countermeasures to reduce the possibility of human related problems. Unfortunately, a systematic framework to evaluate the complexity of procedural tasks seems to be very scant. For this reason, the TACOM measure, which can quantify the complexity of procedural tasks, has been developed. In this study, the appropriateness of the TACOM measure is investigated by comparing TACOM scores regarding the procedural tasks of high speed train drivers with the associated workload scores measured by the NASA-TLX technique. As a result, it is observed that there is a meaningful correlation between the TACOM scores and the associated NASA-TLX scores. Therefore, it is expected that the TACOM measure can properly quantify the complexity of procedural tasks

  8. Investigating the Appropriateness of the TACOM Measure: Application to the Complexity of Proceduralized Tasks for High Speed Train Drivers

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Kyun; Jung, Won Dea [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Ko, Jong Hyun [Nuclear Engineering and Technology Institute, Daejeon (Korea, Republic of)

    2010-02-15

    According to wide-spread experience in many industries, a procedure is one of the most effective countermeasures to reduce the possibility of human related problems. Unfortunately, a systematic framework to evaluate the complexity of procedural tasks seems to be very scant. For this reason, the TACOM measure, which can quantify the complexity of procedural tasks, has been developed. In this study, the appropriateness of the TACOM measure is investigated by comparing TACOM scores regarding the procedural tasks of high speed train drivers with the associated workload scores measured by the NASA-TLX technique. As a result, it is observed that there is a meaningful correlation between the TACOM scores and the associated NASA-TLX scores. Therefore, it is expected that the TACOM measure can properly quantify the complexity of procedural tasks

  9. Photophysical studies of highly luminescent europium(III) and terbium(III) complexes functionalized with amino and mercapto groups

    Energy Technology Data Exchange (ETDEWEB)

    Souza, E.R.; Monteiro, J.H.S.K.; Mazali, I.O.; Sigoli, F.A., E-mail: fsigoli@iqm.unicam.br

    2016-02-15

    This work proposes the replacement of coordinated-water molecules from the precursor complexes [Ln(aba){sub 3}(H{sub 2}O)] and [Ln(tta){sub 3}(H{sub 2}O){sub 2}], (Ln=Eu{sup 3+}, Gd{sup 3+} or Tb{sup 3+}, aba{sup −}=aminobenzoate, tta{sup −}=thenoyltrifluoroacetonate) by the ligands mercaptobenzoate (mba{sup −}), mercaptopropionate (mpa{sup −}), phenanthroline (phen), dimethylformamide (dmf) and acetoacetanilide (aaa{sup −}), leading to anionic or neutral amino (–NH{sub 2}) or mercapto (–SH) functionalized-lantanides (III) complexes with reasonable emission quantum yields for potential application on fluorescence microscopy of biological moieties. The complexes photophysical properties were studied using luminescence spectroscopy and theoretical models to determine the transfer and back energy transfer rates and quantum yields, that were compared with experimental ones. The anionic complexes [Eu(tta){sub 3}(L)]{sup −} showed high quantum yield values and their sensitization efficiency are in the range of 39–81%. The overlay of the ground state geometries, obtained from the Sparkle/PM3 model, of the complexes [Eu(tta){sub 3}(aba)]{sup −}, [Eu(tta){sub 3}(mba)]{sup −} and [Eu(tta){sub 3}(mpa)]{sup −}, suggest similar coordination polyhedrons occupied by the europium(III). The highest transfer rates T→{sup 5}D{sub 1,0} were obtained for the anionic complexes [Eu(tta){sub 3}(L)]{sup −} which might be a result of the low triplet level energies and R{sub L} values. - Highlights: • Lanthanides functionalized-complexes. • Free mercapto and amino groups. • Covalence degree of Eu-ligands. • Energy transfer rates. • Intrinsic and absolute quantum yields and sensitization.

  10. Complex of programs for calculating radiation fields outside plane protecting shields, bombarded by high-energy nucleons

    International Nuclear Information System (INIS)

    Gel'fand, E.K.; Man'ko, B.V.; Serov, A.Ya.; Sychev, B.S.

    1979-01-01

    A complex of programs for modelling various radiation situations at high energy proton accelerators is considered. The programs are divided into there main groups according to their purposes. The first group includes programs for preparing constants describing the processes of different particle interaction with a substanc The second group of programs calculates the complete function of particle distribution arising in shields under irradiation by high energy nucleons. Concrete radiation situations arising at high energy proton accelerators are calculated by means of the programs of the third group. A list of programs as well as their short characteristic are given

  11. Hemolymph Melanization in the Silkmoth Bombyx mori Involves Formation of a High Molecular Mass Complex That Metabolizes Tyrosine*

    Science.gov (United States)

    Clark, Kevin D.; Strand, Michael R.

    2013-01-01

    The phenoloxidase (PO) cascade regulates the melanization of blood (hemolymph) in insects and other arthropods. Most studies indicate that microbial elicitors activate the PO cascade, which results in processing of the zymogen PPO to PO. PO is then thought to oxidize tyrosine and o-diphenols to quinones, which leads to melanin. However, different lines of investigation raise questions as to whether these views are fully correct. Here we report that hemolymph from the silkmoth, Bombyx mori, rapidly melanizes after collection from a wound site. Prior studies indicated that in vitro activated PPO hydroxylates Tyr inefficiently. Measurement of in vivo substrate titers, however, suggested that Tyr was the only PO substrate initially present in B. mori plasma and that it is rapidly metabolized by PO. Fractionation of plasma by gel filtration chromatography followed by bioassays indicated that melanization activity was primarily associated with a high mass complex (∼670 kDa) that contained PO. The prophenoloxidase-activating protease inhibitor Egf1.0 blocked formation of this complex and Tyr metabolism, but the addition of phenylthiourea to plasma before fractionation enhanced complex formation and Tyr metabolism. Mass spectrometry analysis indicated that the complex contained PO plus other proteins. Taken together, our results indicate that wounding alone activates the PO cascade in B. mori. They also suggest that complex formation is required for efficient use of Tyr as a substrate. PMID:23553628

  12. A High Molar Extinction Coefficient Mono-Anthracenyl Bipyridyl Heteroleptic Ruthenium(II Complex: Synthesis, Photophysical and Electrochemical Properties

    Directory of Open Access Journals (Sweden)

    Peter A. Ajibade

    2011-06-01

    Full Text Available In our quest to develop good materials as photosensitizers for photovoltaic dye-sensitized solar cells (DSSCs, cis-dithiocyanato-4-(2,3-dimethylacrylic acid-2,2'-bipyridyl-4-(9-anthracenyl-(2,3-dimethylacrylic-2,2'-bipyridyl ruthenium(II complex, a high molar extinction coefficient charge transfer sensitizer, was designed, synthesized and characterized by spectroscopy and electrochemical techniques. Earlier studies on heteroleptic ruthenium(II complex analogues containing functionalized oligo-anthracenyl phenanthroline ligands have been reported and documented. Based on a general linear correlation between increase in the length of π-conjugation bond and the molar extinction coefficients, herein, we report the photophysical and electrochemical properties of a Ru(II bipyridyl complex analogue with a single functionalized anthracenyl unit. Interestingly, the complex shows better broad and intense metal-to ligand charge transfer (MLCT band absorption with higher molar extinction coefficient (λmax = 518 nm, e = 44900 M−1cm−1, and appreciable photoluminescence spanning the visible region than those containing higher anthracenyl units. It was shown that molar absorption coefficient of the complexes may not be solely depended on the extended π-conjugation but are reduced by molecular aggregation in the molecules.

  13. Quality assurance for high dose rate brachytherapy treatment planning optimization: using a simple optimization to verify a complex optimization

    International Nuclear Information System (INIS)

    Deufel, Christopher L; Furutani, Keith M

    2014-01-01

    As dose optimization for high dose rate brachytherapy becomes more complex, it becomes increasingly important to have a means of verifying that optimization results are reasonable. A method is presented for using a simple optimization as quality assurance for the more complex optimization algorithms typically found in commercial brachytherapy treatment planning systems. Quality assurance tests may be performed during commissioning, at regular intervals, and/or on a patient specific basis. A simple optimization method is provided that optimizes conformal target coverage using an exact, variance-based, algebraic approach. Metrics such as dose volume histogram, conformality index, and total reference air kerma agree closely between simple and complex optimizations for breast, cervix, prostate, and planar applicators. The simple optimization is shown to be a sensitive measure for identifying failures in a commercial treatment planning system that are possibly due to operator error or weaknesses in planning system optimization algorithms. Results from the simple optimization are surprisingly similar to the results from a more complex, commercial optimization for several clinical applications. This suggests that there are only modest gains to be made from making brachytherapy optimization more complex. The improvements expected from sophisticated linear optimizations, such as PARETO methods, will largely be in making systems more user friendly and efficient, rather than in finding dramatically better source strength distributions. (paper)

  14. Synthetic Biomaterials to Rival Nature's Complexity-a Path Forward with Combinatorics, High-Throughput Discovery, and High-Content Analysis.

    Science.gov (United States)

    Zhang, Douglas; Lee, Junmin; Kilian, Kristopher A

    2017-10-01

    Cells in tissue receive a host of soluble and insoluble signals in a context-dependent fashion, where integration of these cues through a complex network of signal transduction cascades will define a particular outcome. Biomaterials scientists and engineers are tasked with designing materials that can at least partially recreate this complex signaling milieu towards new materials for biomedical applications. In this progress report, recent advances in high throughput techniques and high content imaging approaches that are facilitating the discovery of efficacious biomaterials are described. From microarrays of synthetic polymers, peptides and full-length proteins, to designer cell culture systems that present multiple biophysical and biochemical cues in tandem, it is discussed how the integration of combinatorics with high content imaging and analysis is essential to extracting biologically meaningful information from large scale cellular screens to inform the design of next generation biomaterials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. From simple to complex and backwards. Chemical reactions under very high pressure

    International Nuclear Information System (INIS)

    Bini, Roberto; Ceppatelli, Matteo; Citroni, Margherita; Schettino, Vincenzo

    2012-01-01

    Highlights: ► High pressure reactivity of several molecular systems. ► Reaction kinetics and dynamics in high density conditions. ► Key role of optical pumping and electronic excitation. ► Perspectives for the synthesis of hydrogen. - Abstract: High pressure chemical reactions of molecular systems are discussed considering the various factors that can affect the reactivity. These include steric hindrance and geometrical constraints in the confined environment of crystals at high pressure, changes of the free energy landscape with pressure, photoactivation by two-photon absorption, local and collective effects. A classification of the chemical reactions at high pressure is attempted on the basis of the prevailing factors.

  16. High resolution bone material property assignment yields robust subject specific finite element models of complex thin bone structures.

    Science.gov (United States)

    Pakdel, Amirreza; Fialkov, Jeffrey; Whyne, Cari M

    2016-06-14

    Accurate finite element (FE) modeling of complex skeletal anatomy requires high resolution in both meshing and the heterogeneous mapping of material properties onto the generated mesh. This study introduces Node-based elastic Modulus Assignment with Partial-volume correction (NMAP) as a new approach for FE material property assignment to thin bone structures. The NMAP approach incorporates point spread function based deblurring of CT images, partial-volume correction of CT image voxel intensities and anisotropic interpolation and mapping of CT intensity assignment to FE mesh nodes. The NMAP procedure combined with a derived craniomaxillo-facial skeleton (CMFS) specific density-isotropic elastic modulus relationship was applied to produce specimen-specific FE models of 6 cadaveric heads. The NMAP procedure successfully generated models of the complex thin bone structures with surface elastic moduli reflective of cortical bone material properties. The specimen-specific CMFS FE models were able to accurately predict experimental strains measured under in vitro temporalis and masseter muscle loading (r=0.93, slope=1.01, n=5). The strength of this correlation represents a robust validation for CMFS FE modeling that can be used to better understand load transfer in this complex musculoskeletal system. The developed methodology offers a systematic process-flow able to address the complexity of the CMFS that can be further applied to create high-fidelity models of any musculoskeletal anatomy. Copyright © 2016 Elsevier Ltd. All rights reserved.

  17. Self-trapped excitons in LH2 bacteriochlorophyll-protein complexes under high pressure

    International Nuclear Information System (INIS)

    Timpmann, K.; Ellervee, Aleksandr; Kuznetsov, Anatoli; Laisaar, Arlentin; Trinkunas, Gediminas; Freiberg, Arvi

    2003-01-01

    The absorption and emission spectra of excitons in LH2 antenna complexes from the photosynthetic purple bacterium Rhodobacter sphaeroides have been studied under hydrostatic pressure. The measurements made between ambient pressure and 6 kbar over a broad temperature range reveal largely different rates of the pressure-induced shifts for the absorption and emission bands. Numerical calculations based on exciton polaron model provide evidence for the exciton self-trapping at ambient pressure as well as for the pressure stabilization of the self-trapped exciton states responsible for the emission, whereas the light absorbing states belong to nearly free excitons over the whole pressure and temperature ranges studied

  18. Long-lived legacy: Managing high-level and transuranic waste at the DOE Nuclear Weapons Complex. Background paper

    International Nuclear Information System (INIS)

    1991-05-01

    The document focuses on high-level and transuranic waste at the DOE nuclear weapons complex. Reviews some of the critical areas and aspects of the DOE waste problem in order to provide data and further analysis of important issues. Partial contents, High-Level Waste Management at the DOE Weapons Complex, are as follows: High-Level Waste Management: Present and Planned; Amount and Distribution; Current and Potential Problems; Vitrification; Calcination; Alternative Waste Forms for the Idaho National Engineering Laboratory; Technologies for Pretreatment of High-Level Waste; Waste Minimization; Regulatory Framework; Definition of High-Level Waste; Repository Delays and Contingency Planning; Urgency of High-Level Tank Waste Treatment; Technologies for High-Level Waste Treatment; Rethinking the Waste Form and Package; Waste Form for the Idaho National Engineering Laboratory; Releases to the Atmosphere; Future of the PUREX Plant at Hanford; Waste Minimization; Tritium Production; International Cooperation; Scenarios for Future HLW Production. Partial contents of Chapter 2, Managing Transuranic Waste at the DOE Nuclear Weapons Complex, are as follows: Transuranic Waste at Department of Energy Sites; Amount and Distribution; Waste Management: Present and Planned; Current and Potential Problems; Three Technologies for Treating Retrievably Stored Transuranic Waste; In Situ Vitrification; The Applied Research, Development, Demonstration, Testing, and Evaluation Plan (RDDT ampersand E); Actinide Conversion (Transmutation); Waste Minimization; The Regulatory Framework; Definition of, and Standards for, Disposal of Transuranic Waste; Repository Delays; Alternative Storage and Disposal Strategies; Remediation of Buried Waste; The Waste Isolation Pilot Plant; Waste Minimization; Scenarios for Future Transuranic Waste Production; Conditions of No-Migration Determination

  19. High turnover catalysis of water oxidation by Mn(II) complexes of monoanionic pentadentate ligands

    DEFF Research Database (Denmark)

    Seidler-Egdal, Rune Kirk; Nielsen, Anne; Bond, Andrew

    2011-01-01

    -pyridylmethyl)ethane-1,2-diamine (bcbpen(-)), show the presence of a mixture of closely related Mn(II) species, assigned to the mono, di-, tri- and poly-cationic complexes [Mn(II)(L)(H(2)O)](n)(n+), L = mcbpen(-) or bcbpen(-) with n = 1, 2, 3, etc. In solution, these complexes are reversibly oxidized by tert......:1 reaction of TBHP with [Mn] is rate determining and the resultant species is proposed to be the mononuclear, catalytically competent, [Mn(IV)(O)(mcbpen)](+). At very close m/z values [Mn(III)(OH)(mcbpen)](+), [Mn(2)(III/IV)(O)(2)(mcbpen)(2)](+) and [Mn(IV)(2)(O)(2)(mcbpen)(2)](2+) are detected by ESI MS......-butyl hydrogen peroxide (TBHP), (NH(4))(2)[Ce(NO(3))(6)], Ce(ClO(4))(4), oxone and [Ru(bipy)(3)](3+) to form metastable (t(½) = min to h) higher valent (hydr)oxide species, showing a collective maximum absorbance at 430 nm. The same species can be produced by [Ru(bipy)(3)](2+)-mediated photooxidization...

  20. High Turnover Catalysis of Water Oxidation by Mn(II) complexes of Monoanionic Pentadentate Ligands

    DEFF Research Database (Denmark)

    Seidler-Egdal, Rune Kirk; Nielsen, Anne; Bond, Andrew

    2011-01-01

    -pyridylmethyl)ethane-1,2-diamine (bcbpen−), show the presence of a mixture of closely related Mn(II) species, assigned to the mono, di-, tri- and poly-cationic complexes [MnII(L)(H2O)]nn+, L = mcbpen− or bcbpen− with n = 1, 2, 3, etc. In solution, these complexes are reversibly oxidized by tert-butyl hydrogen...... determining and the resultant species is proposed to be the mononuclear, catalytically competent, [MnIV(O)(mcbpen)]+. At very close m/z values [MnIII(OH)(mcbpen)]+, [Mn2III/IV(O)2(mcbpen)2]+ and [MnIV2(O)2(mcbpen)2]2+are detected by ESI MS and CE when the concentration of TBHP is comparable to or lower than...... peroxide (TBHP), (NH4)2[Ce(NO3)6], Ce(ClO4)4, oxone and [Ru(bipy)3]3+ to form metastable (t½ = min to h) higher valent (hydr)oxide species, showing a collective maximum absorbance at 430 nm. The same species can be produced by [Ru(bipy)3]2+-mediated photooxidization in the presence of an electron acceptor...

  1. Mutations in the evolutionarily highly conserved KEOPS complex genes cause nephrotic syndrome with microcephaly

    Science.gov (United States)

    Braun, Daniela A.; Rao, Jia; Mollet, Geraldine; Schapiro, David; Daugeron, Marie-Claire; Tan, Weizhen; Gribouval, Olivier; Boyer, Olivia; Revy, Patrick; Jobst-Schwan, Tilman; Schmidt, Johanna Magdalena; Lawson, Jennifer A.; Schanze, Denny; Ashraf, Shazia; Boddaert, Nathalie; Collinet, Bruno; Martin, Gaëlle; Liger, Dominique; Lovric, Svjetlana; Furlano, Monica; Guerrera, I. Chiara; Sanchez-Ferras, Oraly; Menten, Björn; Vergult, Sarah; De Rocker, Nina; Airik, Merlin; Hermle, Tobias; Shril, Shirlee; Widmeier, Eugen; Gee, Heon Yung; Choi, Won-Il; Sadowski, Carolin E.; Pabst, Werner L.; Warejko, Jillian; Daga, Ankana; LeBerre, Tamara Basta; Matejas, Verena; Behnam, Babak; Beeson, Brendan; Begtrup, Amber; Bruce, Malcolm; Ch'ng, Gaik-Siew; Lin, Shuan-Pei; Chang, Jui-Hsing; Chen, Chao-Huei; Cho, Megan T.; Gipson, Patrick E.; Hsu, Chyong-Hsin; Kari, Jameela A.; Ke, Yu-Yuan; Kiraly-Borri, Cathy; Lai, Wai-ming; Lemyre, Emmanuelle; Littlejohn, Rebecca Okasha; Masri, Amira; Moghtaderi, Mastaneh; Nakamura, Kazuyuki; Praet, Marleen; Prasad, Chitra; Prytula, Agnieszka; Roeder, Elizabeth; Rump, Patrick; Schnur, Rhonda E.; Shiihara, Takashi; Sinha, Manish; Soliman, Neveen A; Soulami, Kenza; Sweetser, David A.; Tsai, Wen-Hui; Tsai, Jeng-Daw; Vester, Udo; Viskochil, David H.; Vatanavicharn, Nithiwat; Waxler, Jessica L.; Wolf, Matthias T.F.; Wong, Sik-Nin; Poduri, Annapurna; Truglio, Gessica; Mane, Shrikant; Lifton, Richard P.; Bouchard, Maxime; Kannu, Peter; Chitayat, David; Magen, Daniella; Calleweart, Bert; van Tilbeurgh, Herman; Zenker, Martin; Antignac, Corinne; Hildebrandt, Friedhelm

    2018-01-01

    Galloway-Mowat syndrome (GAMOS) is a severe autosomal-recessive disease characterized by the combination of early-onset steroid-resistant nephrotic syndrome (SRNS) and microcephaly with brain anomalies. To date, mutations of WDR73 are the only known monogenic cause of GAMOS and in most affected individuals the molecular diagnosis remains elusive. We here identify recessive mutations of OSGEP, TP53RK, TPRKB, or LAGE3, encoding the 4 subunits of the KEOPS complex in 33 individuals of 30 families with GAMOS. CRISPR/Cas9 knockout in zebrafish and mice recapitulates the human phenotype of microcephaly and results in early lethality. Knockdown of OSGEP, TP53RK, or TPRKB inhibits cell proliferation, which human mutations fail to rescue, and knockdown of either gene activates DNA damage response signaling and induces apoptosis. OSGEP and TP53RK molecularly interact and co-localize with the actin-regulating ARP2/3 complex. Furthermore, knockdown of OSGEP and TP53RK induces defects of the actin cytoskeleton and reduces migration rate of human podocytes, an established intermediate phenotype of SRNS. We thus identify 4 novel monogenic causes of GAMOS, describe the first link between KEOPS function and human disease, and delineate potential pathogenic mechanisms. PMID:28805828

  2. Salt-induced phase separation for the determination of metals as their diethyldithiocarbamate complexes by high-performance liquid chromatography

    International Nuclear Information System (INIS)

    Mueller, B.J.; Lovett, R.J.

    1987-01-01

    Reversed-phase high-performance liquid chromatography with ultraviolet detection can be used to determine trace levels of Pt(II), Pd(II), Rh(III), Co(III), Ru(III), and Ir in aqueous solution following complexation with diethyldithiocarbamate. The metal complexes are extracted into acetonitrile from aqueous solution by the addition of a saturated salt solution. Quantitative metal recovery from aqueous solution is achievable for most metals for a wide solution pH range. Detection limits for the metals are <3 ng of metal/mL of original aqueous sample. Analyses of real samples are highly reproducible and sensitive. Ir an interfere in the determination of Pt(II) and Rh(III). A general protocol for chromatographic separation and determination of Pt(II), Pd(II), Rh(III), Ru(III), and Ir in aqueous solution is presented

  3. Trigonal Prismatic Tris-pyridineoximate Transition Metal Complexes: A Cobalt(II) Compound with High Magnetic Anisotropy.

    Science.gov (United States)

    Pavlov, Alexander A; Savkina, Svetlana A; Belov, Alexander S; Nelyubina, Yulia V; Efimov, Nikolay N; Voloshin, Yan Z; Novikov, Valentin V

    2017-06-19

    High magnetic anisotropy is a key property of paramagnetic shift tags, which are mostly studied by NMR spectroscopy, and of single molecule magnets, for which magnetometry is usually used. We successfully employed both these methods in analyzing magnetic properties of a series of transition metal complexes, the so-called clathrochelates. A cobalt complex was found to be both a promising paramagnetic shift tag and a single molecule magnet because of it having large axial magnetic susceptibility tensor anisotropy at room temperature (22.5 × 10 -32 m 3 mol -1 ) and a high effective barrier to magnetization reversal (up to 70.5 cm -1 ). The origin of this large magnetic anisotropy is a negative value of zero-field splitting energy that reaches -86 cm -1 according to magnetometry and NMR measurements.

  4. High level language for measurement complex control based on the computer E-100I

    Science.gov (United States)

    Zubkov, B. V.

    1980-01-01

    A high level language was designed to control the process of conducting an experiment using the computer "Elektrinika-1001". Program examples are given to control the measuring and actuating devices. The procedure of including these programs in the suggested high level language is described.

  5. A novel stable 3D luminescent uranyl complex for highly efficient and sensitive recognition of Ru3+ and biomolecules

    Science.gov (United States)

    Tian, Hong-Hong; Chen, Liang-Ting; Zhang, Rong-Lan; Zhao, Jian-She; Liu, Chi-Yang; Weng, Ng Seik

    2018-02-01

    A novel highly stable 3D luminescent uranyl coordination polymer, namely {[UO2(L)]·DMA}n (1), was assembled with uranyl salt and a glycine-derivative ligand [6-(carboxymethyl-amino)-4-oxo-4,5-dihydro-[1,3,5]triazin-2-ylamino]-acetic acid (H2L) under solvothermal reaction. Besides, It was found that complex 1 possesses excellent luminescent properties, particularly the efficient selectivity and sensitivity in the recognition of Ru3+, biomacromolecule bovine serum albumin (BSA), biological small molecules dopamine (DA), ascorbic acid (AA) and uric acid (UA) in the water solution based on a "turn-off" mechanism. Accordingly, the luminescent explorations also demonstrated that complex 1 could be acted as an efficient luminescent probe with high quenching efficiency and low detection limit for selectively detecting Ru3+ and biomolecules (DA, AA, UA and BSA). It was noted that the framework structure of complex 1 still remains highly stable after quenching, which was verified by powder X-ray diffraction (PXRD).

  6. ChelomEx: Isotope-assisted discovery of metal chelates in complex media using high-resolution LC-MS.

    Science.gov (United States)

    Baars, Oliver; Morel, François M M; Perlman, David H

    2014-11-18

    Chelating agents can control the speciation and reactivity of trace metals in biological, environmental, and laboratory-derived media. A large number of trace metals (including Fe, Cu, Zn, Hg, and others) show characteristic isotopic fingerprints that can be exploited for the discovery of known and unknown organic metal complexes and related chelating ligands in very complex sample matrices using high-resolution liquid chromatography mass spectrometry (LC-MS). However, there is currently no free open-source software available for this purpose. We present a novel software tool, ChelomEx, which identifies isotope pattern-matched chromatographic features associated with metal complexes along with free ligands and other related adducts in high-resolution LC-MS data. High sensitivity and exclusion of false positives are achieved by evaluation of the chromatographic coherence of the isotope pattern within chromatographic features, which we demonstrate through the analysis of bacterial culture media. A built-in graphical user interface and compound library aid in identification and efficient evaluation of results. ChelomEx is implemented in MatLab. The source code, binaries for MS Windows and MAC OS X as well as test LC-MS data are available for download at SourceForge ( http://sourceforge.net/projects/chelomex ).

  7. Synthesis of highly reactive polyisobutylene catalyzed by EtAlCl 2/Bis(2-chloroethyl) ether soluble complex in hexanes

    KAUST Repository

    Kumar, Rajeev Ananda; Zheng, Bin; Huang, Kuo-Wei; Emert, Jack I.; Faust, Rudolf

    2014-01-01

    The polymerization of isobutylene (IB) to yield highly reactive polyisobutylene (HR PIB) with high exo-olefin content using GaCl3 or FeCl3·diisopropyl ether complexes has been previously reported.1 In an effort to further improve polymerization rates and exo-olefin content, we have studied ethylaluminum dichloride (EADC) complexes with diisopropyl ether, 2-chloroethyl ethyl ether (CEEE), and bis(2-chloroethyl) ether (CEE) as catalysts in conjunction with tert-butyl chloride as initiator in hexanes at different temperatures. All three complexes were readily soluble in hexanes. Polymerization, however, was only observed with CEE. At 0 °C polymerization was complete in 5 min at [t-BuCl] = [EADC·CEE] = 10 mM and resulted in PIB with ∼70% exo-olefin content. Studies on complexation using ATR FTIR and 1H NMR spectroscopy revealed that at 1:1 stoichiometry a small amount of EADC remains uncomplexed. By employing an excess of CEE, exo-olefin contents increased up to 90%, while polymerization rates decreased only slightly. With decreasing temperature, polymerization rates decreased while molecular weights as well as exo-olefin contents increased, suggesting that isomerization has a higher activation energy than β-proton abstraction. Density functional theory (DFT) studies on the Lewis acid·ether binding energies indicated a trend consistent with the polymerization results. The polymerization mechanism proposed previously for Lewis acid·ether complexes1 adequately explains all the findings. © 2014 American Chemical Society.

  8. Synthesis of highly reactive polyisobutylene catalyzed by EtAlCl 2/Bis(2-chloroethyl) ether soluble complex in hexanes

    KAUST Repository

    Kumar, Rajeev Ananda

    2014-03-25

    The polymerization of isobutylene (IB) to yield highly reactive polyisobutylene (HR PIB) with high exo-olefin content using GaCl3 or FeCl3·diisopropyl ether complexes has been previously reported.1 In an effort to further improve polymerization rates and exo-olefin content, we have studied ethylaluminum dichloride (EADC) complexes with diisopropyl ether, 2-chloroethyl ethyl ether (CEEE), and bis(2-chloroethyl) ether (CEE) as catalysts in conjunction with tert-butyl chloride as initiator in hexanes at different temperatures. All three complexes were readily soluble in hexanes. Polymerization, however, was only observed with CEE. At 0 °C polymerization was complete in 5 min at [t-BuCl] = [EADC·CEE] = 10 mM and resulted in PIB with ∼70% exo-olefin content. Studies on complexation using ATR FTIR and 1H NMR spectroscopy revealed that at 1:1 stoichiometry a small amount of EADC remains uncomplexed. By employing an excess of CEE, exo-olefin contents increased up to 90%, while polymerization rates decreased only slightly. With decreasing temperature, polymerization rates decreased while molecular weights as well as exo-olefin contents increased, suggesting that isomerization has a higher activation energy than β-proton abstraction. Density functional theory (DFT) studies on the Lewis acid·ether binding energies indicated a trend consistent with the polymerization results. The polymerization mechanism proposed previously for Lewis acid·ether complexes1 adequately explains all the findings. © 2014 American Chemical Society.

  9. Complex organic molecules toward low-mass and high-mass star forming regions

    Science.gov (United States)

    Favre, C.; Ceccarelli, C.; Lefloch, B.; Bergin, E.; Carvajal, M.; Brouillet, N.; Despois, D.; Jørgensen, J.; Kleiner, I.

    2016-12-01

    One of the most important questions in molecular astrophysics is how, when, and where complex organic molecules, COMs (≥ 6 atoms) are formed. In the Interstellar-Earth connection context, could this have a bearing on the origin of life on Earth? Formation mechanisms of COMs, which include potentially prebiotic molecules, are still debated and may include grain-mantle and/or gas-phase chemistry. Understanding the mechanisms that lead to the interstellar molecular complexification, along with the involved physicochemical processes, is mandatory to answer the above questions. In that context, active researches are ongoing in theory, laboratory experiment, chemical modeling and observations. Thanks to recent progress in radioastronomy instrumentation for both single-dish and millimeter array (e.g. Herschel, NOEMA, ALMA), new results have been obtained. I will review some notable results on the detection of COMs, including prebiotic molecules, towards star forming regions.

  10. Inverse Processing of Undefined Complex Shape Parts from Structural High Alloyed Tool Steel

    Directory of Open Access Journals (Sweden)

    Katarina Monkova

    2014-02-01

    Full Text Available The paper deals with the process of 3D digitization as a tool for increasing production efficiency of complex shaped parts. Utilizes the concept of reverse engineering and new the model of NC program generation STEP-NC, for the of templates production for winding the stator coil of electromotors that is for electric household appliances. The manual production of prototype was substituted by manufacturing with NC machines. A 3D scanner was used for data digitizing, CAD/CAM system Pro/Engineering was used for NC program generation, and 3D measuring equipment was used for verification of new produced parts. The company estimated that only due to the implementation of STEP NC standard into production process it was allowed to read the 3D geometry of the product without problems. It helps the workshop to shorten the time needed for part production by about 30%.

  11. High-performance execution of psychophysical tasks with complex visual stimuli in MATLAB

    Science.gov (United States)

    Asaad, Wael F.; Santhanam, Navaneethan; McClellan, Steven

    2013-01-01

    Behavioral, psychological, and physiological experiments often require the ability to present sensory stimuli, monitor and record subjects' responses, interface with a wide range of devices, and precisely control the timing of events within a behavioral task. Here, we describe our recent progress developing an accessible and full-featured software system for controlling such studies using the MATLAB environment. Compared with earlier reports on this software, key new features have been implemented to allow the presentation of more complex visual stimuli, increase temporal precision, and enhance user interaction. These features greatly improve the performance of the system and broaden its applicability to a wider range of possible experiments. This report describes these new features and improvements, current limitations, and quantifies the performance of the system in a real-world experimental setting. PMID:23034363

  12. Highly efficient parallel direct solver for solving dense complex matrix equations from method of moments

    Directory of Open Access Journals (Sweden)

    Yan Chen

    2017-03-01

    Full Text Available Based on the vectorised and cache optimised kernel, a parallel lower upper decomposition with a novel communication avoiding pivoting scheme is developed to solve dense complex matrix equations generated by the method of moments. The fine-grain data rearrangement and assembler instructions are adopted to reduce memory accessing times and improve CPU cache utilisation, which also facilitate vectorisation of the code. Through grouping processes in a binary tree, a parallel pivoting scheme is designed to optimise the communication pattern and thus reduces the solving time of the proposed solver. Two large electromagnetic radiation problems are solved on two supercomputers, respectively, and the numerical results demonstrate that the proposed method outperforms those in open source and commercial libraries.

  13. Usage of super high speed computer for clarification of complex phenomena

    International Nuclear Information System (INIS)

    Sekiguchi, Tomotsugu; Sato, Mitsuhisa; Nakata, Hideki; Tatebe, Osami; Takagi, Hiromitsu

    1999-01-01

    This study aims at construction of an efficient super high speed computer system application environment in response to parallel distributed system with easy transplantation to different computer system and different number by conducting research and development on super high speed computer application technology required for elucidation of complicated phenomenon in elucidation of complicated phenomenon of nuclear power field due to computed scientific method. In order to realize such environment, the Electrotechnical Laboratory has conducted development on Ninf, a network numerical information library. This Ninf system can supply a global network infrastructure for worldwide computing with high performance on further wide range distributed network (G.K.)

  14. Model SNP development for complex genomes based on hexaploid oat using high-throughput 454 sequencing technology

    Directory of Open Access Journals (Sweden)

    Chao Shiaoman

    2011-01-01

    Full Text Available Abstract Background Genetic markers are pivotal to modern genomics research; however, discovery and genotyping of molecular markers in oat has been hindered by the size and complexity of the genome, and by a scarcity of sequence data. The purpose of this study was to generate oat expressed sequence tag (EST information, develop a bioinformatics pipeline for SNP discovery, and establish a method for rapid, cost-effective, and straightforward genotyping of SNP markers in complex polyploid genomes such as oat. Results Based on cDNA libraries of four cultivated oat genotypes, approximately 127,000 contigs were assembled from approximately one million Roche 454 sequence reads. Contigs were filtered through a novel bioinformatics pipeline to eliminate ambiguous polymorphism caused by subgenome homology, and 96 in silico SNPs were selected from 9,448 candidate loci for validation using high-resolution melting (HRM analysis. Of these, 52 (54% were polymorphic between parents of the Ogle1040 × TAM O-301 (OT mapping population, with 48 segregating as single Mendelian loci, and 44 being placed on the existing OT linkage map. Ogle and TAM amplicons from 12 primers were sequenced for SNP validation, revealing complex polymorphism in seven amplicons but general sequence conservation within SNP loci. Whole-amplicon interrogation with HRM revealed insertions, deletions, and heterozygotes in secondary oat germplasm pools, generating multiple alleles at some primer targets. To validate marker utility, 36 SNP assays were used to evaluate the genetic diversity of 34 diverse oat genotypes. Dendrogram clusters corresponded generally to known genome composition and genetic ancestry. Conclusions The high-throughput SNP discovery pipeline presented here is a rapid and effective method for identification of polymorphic SNP alleles in the oat genome. The current-generation HRM system is a simple and highly-informative platform for SNP genotyping. These techniques provide

  15. Cost-effective alternative to nano-encapsulation: Amorphous curcumin-chitosan nanoparticle complex exhibiting high payload and supersaturation generation.

    Science.gov (United States)

    Nguyen, Minh Hiep; Yu, Hong; Kiew, Tie Yi; Hadinoto, Kunn

    2015-10-01

    While the wide-ranging therapeutic activities of curcumin have been well established, its successful delivery to realize its true therapeutic potentials faces a major challenge due to its low oral bioavailability. Even though nano-encapsulation has been widely demonstrated to be effective in enhancing the bioavailability of curcumin, it is not without drawbacks (i.e. low payload and costly preparation). Herein we present a cost-effective bioavailability enhancement strategy of curcumin in the form of amorphous curcumin-chitosan nanoparticle complex (or curcumin nanoplex in short) exhibiting a high payload (>80%). The curcumin nanoplex was prepared by a simple yet highly efficient drug-polysaccharide complexation method that required only mixing of the curcumin and chitosan solutions under ambient condition. The effects of (1) pH and (2) charge ratio of chitosan to curcumin on the (i) physical characteristics of the nanoplex (i.e. size, colloidal stability and payload), (ii) complexation efficiency, and (iii) production yield were investigated from which the optimal preparation condition was determined. The nanoplex formation was found to favor low acidic pH and charge ratio below unity. At the optimal condition (i.e. pH 4.4. and charge ratio=0.8), stable curcumin nanoplex (≈260nm) was prepared at >90% complexation efficiency and ≈50% production yield. The amorphous state stability, colloidal stability, and in vitro non-cytotoxicity of the nanoplex were successfully established. The curcumin nanoplex produced prolonged supersaturation (3h) in the presence of hydroxypropyl methylcellulose (HPMC) at five times of the saturation solubility of curcumin. In addition, curcumin released from the nanoplex exhibited improved chemical stability owed to the presence of chitosan. Both results (i.e. high supersaturation and improved chemical stability) bode well for the ability of the curcumin nanoplex to enhance the bioavailability of curcumin clinically. Copyright © 2015

  16. The risk-adjusted vision beyond casemix (DRG) funding in Australia. International lessons in high complexity and capitation.

    Science.gov (United States)

    Antioch, Kathryn M; Walsh, Michael K

    2004-06-01

    Hospitals throughout the world using funding based on diagnosis-related groups (DRG) have incurred substantial budgetary deficits, despite high efficiency. We identify the limitations of DRG funding that lack risk (severity) adjustment for State-wide referral services. Methods to risk adjust DRGs are instructive. The average price in casemix funding in the Australian State of Victoria is policy based, not benchmarked. Average cost weights are too low for high-complexity DRGs relating to State-wide referral services such as heart and lung transplantation and trauma. Risk-adjusted specified grants (RASG) are required for five high-complexity respiratory, cardiology and stroke DRGs incurring annual deficits of $3.6 million due to high casemix complexity and government under-funding despite high efficiency. Five stepwise linear regressions for each DRG excluded non-significant variables and assessed heteroskedasticity and multicollinearlity. Cost per patient was the dependent variable. Significant independent variables were age, length-of-stay outliers, number of disease types, diagnoses, procedures and emergency status. Diagnosis and procedure severity markers were identified. The methodology and the work of the State-wide Risk Adjustment Working Group can facilitate risk adjustment of DRGs State-wide and for Treasury negotiations for expenditure growth. The Alfred Hospital previously negotiated RASG of $14 million over 5 years for three trauma and chronic DRGs. Some chronic diseases require risk-adjusted capitation funding models for Australian Health Maintenance Organizations as an alternative to casemix funding. The use of Diagnostic Cost Groups can facilitate State and Federal government reform via new population-based risk adjusted funding models that measure health need.

  17. Dose domain regularization of MLC leaf patterns for highly complex IMRT plans

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Dan; Yu, Victoria Y.; Ruan, Dan; Cao, Minsong; Low, Daniel A.; Sheng, Ke, E-mail: ksheng@mednet.ucla.edu [Department of Radiation Oncology, University of California Los Angeles, Los Angeles, California 90095 (United States); O’Connor, Daniel [Department of Mathematics, University of California Los Angeles, Los Angeles, California 90095 (United States)

    2015-04-15

    Purpose: The advent of automated beam orientation and fluence optimization enables more complex intensity modulated radiation therapy (IMRT) planning using an increasing number of fields to exploit the expanded solution space. This has created a challenge in converting complex fluences to robust multileaf collimator (MLC) segments for delivery. A novel method to regularize the fluence map and simplify MLC segments is introduced to maximize delivery efficiency, accuracy, and plan quality. Methods: In this work, we implemented a novel approach to regularize optimized fluences in the dose domain. The treatment planning problem was formulated in an optimization framework to minimize the segmentation-induced dose distribution degradation subject to a total variation regularization to encourage piecewise smoothness in fluence maps. The optimization problem was solved using a first-order primal-dual algorithm known as the Chambolle-Pock algorithm. Plans for 2 GBM, 2 head and neck, and 2 lung patients were created using 20 automatically selected and optimized noncoplanar beams. The fluence was first regularized using Chambolle-Pock and then stratified into equal steps, and the MLC segments were calculated using a previously described level reducing method. Isolated apertures with sizes smaller than preset thresholds of 1–3 bixels, which are square units of an IMRT fluence map from MLC discretization, were removed from the MLC segments. Performance of the dose domain regularized (DDR) fluences was compared to direct stratification and direct MLC segmentation (DMS) of the fluences using level reduction without dose domain fluence regularization. Results: For all six cases, the DDR method increased the average planning target volume dose homogeneity (D95/D5) from 0.814 to 0.878 while maintaining equivalent dose to organs at risk (OARs). Regularized fluences were more robust to MLC sequencing, particularly to the stratification and small aperture removal. The maximum and

  18. Taking Over Control From Highly Automated Vehicles in Complex Traffic Situations: The Role of Traffic Density.

    Science.gov (United States)

    Gold, Christian; Körber, Moritz; Lechner, David; Bengler, Klaus

    2016-06-01

    The aim of this study was to quantify the impact of traffic density and verbal tasks on takeover performance in highly automated driving. In highly automated vehicles, the driver has to occasionally take over vehicle control when approaching system limits. To ensure safety, the ability of the driver to regain control of the driving task under various driving situations and different driver states needs to be quantified. Seventy-two participants experienced takeover situations requiring an evasive maneuver on a three-lane highway with varying traffic density (zero, 10, and 20 vehicles per kilometer). In a between-subjects design, half of the participants were engaged in a verbal 20-Questions Task, representing speaking on the phone while driving in a highly automated vehicle. The presence of traffic in takeover situations led to longer takeover times and worse takeover quality in the form of shorter time to collision and more collisions. The 20-Questions Task did not influence takeover time but seemed to have minor effects on the takeover quality. For the design and evaluation of human-machine interaction in takeover situations of highly automated vehicles, the traffic state seems to play a major role, compared to the driver state, manipulated by the 20-Questions Task. The present results can be used by developers of highly automated systems to appropriately design human-machine interfaces and to assess the driver's time budget for regaining control. © 2016, Human Factors and Ergonomics Society.

  19. 3-D high-frequency endovaginal ultrasound of female urethral complex and assessment of inter-observer reliability

    International Nuclear Information System (INIS)

    Wieczorek, A.P.; Wozniak, M.M.; Stankiewicz, A.; Santoro, G.A.; Bogusiewicz, M.; Rechberger, T.

    2012-01-01

    Objectives: Assessment of the urethral complex and defining its morphological characteristics with 3-dimensional endovaginal ultrasonography with the use of high frequency rotational 360° transducer. Defining inter-observer reliability of the performed measurements. Materials and methods: Twenty-four asymptomatic, nulliparous females (aged 18–55, mean 32 years) underwent high-frequency (12 MHz) endovaginal ultrasound with rotational 360° and automated 3D data acquisition (type 2050, B-K Medical, Herlev, Denmark). Measurements of the urethral thickness, width and length, bladder neck-symphysis distance, intramural part of the urethra as well as rhabdosphincter thickness, width and length were taken by three investigators. Descriptive statistics for continuous data was performed. The results were given as mean values with standard deviation. The relationships among different variables were assessed with ANOVA for repeated measures factors, as well as T-test for dependent samples. Intraclass correlation (ICC) was calculated for each parameter. Intra- and interobserver reliability was assessed. Statistical significance was assigned to a P value of 0.8) and good reliability for rhabdosphincter measurements (ICC > 0.6) between all three investigators. Conclusions: Advanced EVUS provides detailed information on anatomy and morphology of the female urethral complex. Our results show that 360° rotational transducer with automated 3D acquisition, currently routinely used for proctological scanning is suitable for the reliable assessment of the urethral complex and can be applied in a routine diagnostics of pelvic floor disturbances in females.

  20. Rapid, topology-based particle tracking for high-resolution measurements of large complex 3D motion fields.

    Science.gov (United States)

    Patel, Mohak; Leggett, Susan E; Landauer, Alexander K; Wong, Ian Y; Franck, Christian

    2018-04-03

    Spatiotemporal tracking of tracer particles or objects of interest can reveal localized behaviors in biological and physical systems. However, existing tracking algorithms are most effective for relatively low numbers of particles that undergo displacements smaller than their typical interparticle separation distance. Here, we demonstrate a single particle tracking algorithm to reconstruct large complex motion fields with large particle numbers, orders of magnitude larger than previously tractably resolvable, thus opening the door for attaining very high Nyquist spatial frequency motion recovery in the images. Our key innovations are feature vectors that encode nearest neighbor positions, a rigorous outlier removal scheme, and an iterative deformation warping scheme. We test this technique for its accuracy and computational efficacy using synthetically and experimentally generated 3D particle images, including non-affine deformation fields in soft materials, complex fluid flows, and cell-generated deformations. We augment this algorithm with additional particle information (e.g., color, size, or shape) to further enhance tracking accuracy for high gradient and large displacement fields. These applications demonstrate that this versatile technique can rapidly track unprecedented numbers of particles to resolve large and complex motion fields in 2D and 3D images, particularly when spatial correlations exist.

  1. Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

    Science.gov (United States)

    Hadjidoukas, P. E.; Angelikopoulos, P.; Papadimitriou, C.; Koumoutsakos, P.

    2015-03-01

    We present Π4U, an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow.

  2. Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

    International Nuclear Information System (INIS)

    Hadjidoukas, P.E.; Angelikopoulos, P.; Papadimitriou, C.; Koumoutsakos, P.

    2015-01-01

    We present Π4U, 1 an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow

  3. Compressive Sensing Based Bayesian Sparse Channel Estimation for OFDM Communication Systems: High Performance and Low Complexity

    Science.gov (United States)

    Xu, Li; Shan, Lin; Adachi, Fumiyuki

    2014-01-01

    In orthogonal frequency division modulation (OFDM) communication systems, channel state information (CSI) is required at receiver due to the fact that frequency-selective fading channel leads to disgusting intersymbol interference (ISI) over data transmission. Broadband channel model is often described by very few dominant channel taps and they can be probed by compressive sensing based sparse channel estimation (SCE) methods, for example, orthogonal matching pursuit algorithm, which can take the advantage of sparse structure effectively in the channel as for prior information. However, these developed methods are vulnerable to both noise interference and column coherence of training signal matrix. In other words, the primary objective of these conventional methods is to catch the dominant channel taps without a report of posterior channel uncertainty. To improve the estimation performance, we proposed a compressive sensing based Bayesian sparse channel estimation (BSCE) method which cannot only exploit the channel sparsity but also mitigate the unexpected channel uncertainty without scarifying any computational complexity. The proposed method can reveal potential ambiguity among multiple channel estimators that are ambiguous due to observation noise or correlation interference among columns in the training matrix. Computer simulations show that proposed method can improve the estimation performance when comparing with conventional SCE methods. PMID:24983012

  4. Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

    Energy Technology Data Exchange (ETDEWEB)

    Hadjidoukas, P.E.; Angelikopoulos, P. [Computational Science and Engineering Laboratory, ETH Zürich, CH-8092 (Switzerland); Papadimitriou, C. [Department of Mechanical Engineering, University of Thessaly, GR-38334 Volos (Greece); Koumoutsakos, P., E-mail: petros@ethz.ch [Computational Science and Engineering Laboratory, ETH Zürich, CH-8092 (Switzerland)

    2015-03-01

    We present Π4U,{sup 1} an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow.

  5. AD Model Builder: using automatic differentiation for statistical inference of highly parameterized complex nonlinear models

    DEFF Research Database (Denmark)

    Fournier, David A.; Skaug, Hans J.; Ancheta, Johnoel

    2011-01-01

    Many criteria for statistical parameter estimation, such as maximum likelihood, are formulated as a nonlinear optimization problem.Automatic Differentiation Model Builder (ADMB) is a programming framework based on automatic differentiation, aimed at highly nonlinear models with a large number...... of such a feature is the generic implementation of Laplace approximation of high-dimensional integrals for use in latent variable models. We also review the literature in which ADMB has been used, and discuss future development of ADMB as an open source project. Overall, the main advantages ofADMB are flexibility...

  6. Correlation of Functional and Nutritional Status in Elderly Hip Fracture in a Hospital of High Complexity

    OpenAIRE

    Chavarro, Diego Andrés; Hospital Universitario San Ignacio; Gutiérrez, William Arbey; Pontificia Universidad Javeriana; Cañón, Arleth Patricia; Pontificia Universidad Javeriana

    2014-01-01

    The importance of hip fractures is given not only by their high frequency, but also the associated mortality, morbidity and high economic and social cost.Aim: To determine the functionality of the individual after suffering a fall and consequently a hip fracture.Methods: Prospective observational study analytical. Results: 44 patients who met the inclusion criteria were included. The average age was 81.8 SD ± 8; 59 % were women. Of the total of 44 patients revealed that 13 patients were indep...

  7. Structural insights into a high affinity nanobody:antigen complex by homology modelling

    DEFF Research Database (Denmark)

    Skottrup, Peter Durand

    2017-01-01

    Porphyromonas gingivalis is a major periodontitis-causing pathogens. P. gingivalis secrete a cysteine protease termed RgpB, which is specific for Arg-Xaa bonds in substrates. Recently, a nanobody-based assay was used to demonstrate that RgpB could represent a novel diagnostic target, thereby...... simplifying. P. gingivalis detection. The nanobody, VHH7, had a high binding affinity and was specific for RgpB, when tested towards the highly identical RgpA. In this study a homology model of VHH7 was build. The complementarity determining regions (CDR) comprising the paratope residues responsible for Rgp...

  8. Phosphasalen indium complexes showing high rates and isoselectivities in rac-lactide polymerizations

    Energy Technology Data Exchange (ETDEWEB)

    Myers, Dominic; White, Andrew J.P. [Department of Chemistry, Imperial College London (United Kingdom); Forsyth, Craig M. [School of Chemistry, Monash University, Clayton, VIC (Australia); Bown, Mark [CSIRO Manufacturing, Bayview Avenue, Clayton, VIC (Australia); Williams, Charlotte K. [Department of Chemistry, Oxford University (United Kingdom)

    2017-05-02

    Polylactide (PLA) is the leading bioderived polymer produced commercially by the metal-catalyzed ring-opening polymerization of lactide. Control over tacticity to produce stereoblock PLA, from rac-lactide improves thermal properties but is an outstanding challenge. Here, phosphasalen indium catalysts feature high rates (30±3 m{sup -1} min{sup -1}, THF, 298 K), high control, low loadings (0.2 mol %), and isoselectivity (P{sub i}=0.92, THF, 258 K). Furthermore, the phosphasalen indium catalysts do not require any chiral additives. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Extremely stable soluble high molecular mass multi-protein complex with DNase activity in human placental tissue.

    Directory of Open Access Journals (Sweden)

    Evgeniya E Burkova

    Full Text Available Human placenta is an organ which protects, feeds, and regulates the grooving of the embryo. Therefore, identification and characterization of placental components including proteins and their multi-protein complexes is an important step to understanding the placenta function. We have obtained and analyzed for the first time an extremely stable multi-protein complex (SPC, ∼ 1000 kDa from the soluble fraction of three human placentas. By gel filtration on Sepharose-4B, the SPC was well separated from other proteins of the placenta extract. Light scattering measurements and gel filtration showed that the SPC is stable in the presence of NaCl, MgCl2, acetonitrile, guanidinium chloride, and Triton in high concentrations, but dissociates efficiently in the presence of 8 M urea, 50 mM EDTA, and 0.5 M NaCl. Such a stable complex is unlikely to be a casual associate of different proteins. According to SDS-PAGE and MALDI mass spectrometry data, this complex contains many major glycosylated proteins with low and moderate molecular masses (MMs 4-14 kDa and several moderately abundant (79.3, 68.5, 52.8, and 27.2 kDa as well as minor proteins with higher MMs. The SPC treatment with dithiothreitol led to a disappearance of some protein bands and revealed proteins with lower MMs. The SPCs from three placentas efficiently hydrolyzed plasmid supercoiled DNA with comparable rates and possess at least two DNA-binding sites with different affinities for a 12-mer oligonucleotide. Progress in study of placental protein complexes can promote understanding of their biological functions.

  10. Residential Interior Design as Complex Composition: A Case Study of a High School Senior's Composing Process

    Science.gov (United States)

    Smagorinsky, Peter; Zoss, Michelle; Reed, Patty M.

    2006-01-01

    This research analyzed the composing processes of one high school student as she designed the interiors of homes for a course in interior design. Data included field notes, an interview with the teacher, artifacts from the class, and the focal student's concurrent and retrospective protocols in relation to her design of home interiors. The…

  11. Galactic hail: the origin of the high-velocity cloud complex C

    NARCIS (Netherlands)

    Fraternali, F.; Marasco, A.; Armillotta, L.; Marinacci, F.

    High-velocity clouds consist of cold gas that appears to be raining down from the halo to the disc of the Milky Way. Over the past 50 years, two competing scenarios have attributed their origin either to gas accretion from outside the Galaxy or to circulation of gas from the Galactic disc powered by

  12. VLSI Implementation of a Fixed-Complexity Soft-Output MIMO Detector for High-Speed Wireless

    Directory of Open Access Journals (Sweden)

    Di Wu

    2010-01-01

    Full Text Available This paper presents a low-complexity MIMO symbol detector with close-Maximum a posteriori performance for the emerging multiantenna enhanced high-speed wireless communications. The VLSI implementation is based on a novel MIMO detection algorithm called Modified Fixed-Complexity Soft-Output (MFCSO detection, which achieves a good trade-off between performance and implementation cost compared to the referenced prior art. By including a microcode-controlled channel preprocessing unit and a pipelined detection unit, it is flexible enough to cover several different standards and transmission schemes. The flexibility allows adaptive detection to minimize power consumption without degradation in throughput. The VLSI implementation of the detector is presented to show that real-time MIMO symbol detection of 20 MHz bandwidth 3GPP LTE and 10 MHz WiMAX downlink physical channel is achievable at reasonable silicon cost.

  13. Designing Computer-Supported Complex Systems Curricula for the Next Generation Science Standards in High School Science Classrooms

    Directory of Open Access Journals (Sweden)

    Susan A. Yoon

    2016-12-01

    Full Text Available We present a curriculum and instruction framework for computer-supported teaching and learning about complex systems in high school science classrooms. This work responds to a need in K-12 science education research and practice for the articulation of design features for classroom instruction that can address the Next Generation Science Standards (NGSS recently launched in the USA. We outline the features of the framework, including curricular relevance, cognitively rich pedagogies, computational tools for teaching and learning, and the development of content expertise, and provide examples of how the framework is translated into practice. We follow this up with evidence from a preliminary study conducted with 10 teachers and 361 students, aimed at understanding the extent to which students learned from the activities. Results demonstrated gains in students’ complex systems understanding and biology content knowledge. In interviews, students identified influences of various aspects of the curriculum and instruction framework on their learning.

  14. How partnership accelerates Open Science: High Energy Physics and INSPIRE, a case study of a complex repository ecosystem

    CERN Document Server

    AUTHOR|(CDS)2079501; Hecker, Bernard Louis; Holtkamp, Annette; Mele, Salvatore; O'Connell, Heath; Sachs, Kirsten; Simko, Tibor; Schwander, Thorsten

    2013-01-01

    Public calls, agency mandates and scientist demand for Open Science are by now a reality with different nuances across diverse research communities. A complex “ecosystem” of services and tools, mostly communityDdriven, will underpin this revolution in science. Repositories stand to accelerate this process, as “openness” evolves beyond text, in lockstep with scholarly communication. We present a case study of a global discipline, HighDEnergy Physics (HEP), where most of these transitions have already taken place in a “social laboratory” of multiple global information services interlinked in a complex, but successful, ecosystem at the service of scientists. We discuss our firstDhand experience, at a technical and organizational level, of leveraging partnership across repositories and with the user community in support of Open Science, along threads relevant to the OR2013 community.

  15. Complexity optimization and high-throughput low-latency hardware implementation of a multi-electrode spike-sorting algorithm.

    Science.gov (United States)

    Dragas, Jelena; Jackel, David; Hierlemann, Andreas; Franke, Felix

    2015-03-01

    Reliable real-time low-latency spike sorting with large data throughput is essential for studies of neural network dynamics and for brain-machine interfaces (BMIs), in which the stimulation of neural networks is based on the networks' most recent activity. However, the majority of existing multi-electrode spike-sorting algorithms are unsuited for processing high quantities of simultaneously recorded data. Recording from large neuronal networks using large high-density electrode sets (thousands of electrodes) imposes high demands on the data-processing hardware regarding computational complexity and data transmission bandwidth; this, in turn, entails demanding requirements in terms of chip area, memory resources and processing latency. This paper presents computational complexity optimization techniques, which facilitate the use of spike-sorting algorithms in large multi-electrode-based recording systems. The techniques are then applied to a previously published algorithm, on its own, unsuited for large electrode set recordings. Further, a real-time low-latency high-performance VLSI hardware architecture of the modified algorithm is presented, featuring a folded structure capable of processing the activity of hundreds of neurons simultaneously. The hardware is reconfigurable “on-the-fly” and adaptable to the nonstationarities of neuronal recordings. By transmitting exclusively spike time stamps and/or spike waveforms, its real-time processing offers the possibility of data bandwidth and data storage reduction.

  16. Three-dimensional reconstruction of highly complex microscopic samples using scanning electron microscopy and optical flow estimation.

    Directory of Open Access Journals (Sweden)

    Ahmadreza Baghaie

    Full Text Available Scanning Electron Microscope (SEM as one of the major research and industrial equipment for imaging of micro-scale samples and surfaces has gained extensive attention from its emerge. However, the acquired micrographs still remain two-dimensional (2D. In the current work a novel and highly accurate approach is proposed to recover the hidden third-dimension by use of multi-view image acquisition of the microscopic samples combined with pre/post-processing steps including sparse feature-based stereo rectification, nonlocal-based optical flow estimation for dense matching and finally depth estimation. Employing the proposed approach, three-dimensional (3D reconstructions of highly complex microscopic samples were achieved to facilitate the interpretation of topology and geometry of surface/shape attributes of the samples. As a byproduct of the proposed approach, high-definition 3D printed models of the samples can be generated as a tangible means of physical understanding. Extensive comparisons with the state-of-the-art reveal the strength and superiority of the proposed method in uncovering the details of the highly complex microscopic samples.

  17. Syntactic and Story Structure Complexity in the Narratives of High- and Low-Language Ability Children with Autism Spectrum Disorder

    Science.gov (United States)

    Peristeri, Eleni; Andreou, Maria; Tsimpli, Ianthi M.

    2017-01-01

    Although language impairment is commonly associated with the autism spectrum disorder (ASD), the Diagnostic Statistical Manual no longer includes language impairment as a necessary component of an ASD diagnosis (American Psychiatric Association, 2013). However, children with ASD and no comorbid intellectual disability struggle with some aspects of language whose precise nature is still outstanding. Narratives have been extensively used as a tool to examine lexical and syntactic abilities, as well as pragmatic skills in children with ASD. This study contributes to this literature by investigating the narrative skills of 30 Greek-speaking children with ASD and normal non-verbal IQ, 16 with language skills in the upper end of the normal range (ASD-HL), and 14 in the lower end of the normal range (ASD-LL). The control group consisted of 15 age-matched typically-developing (TD) children. Narrative performance was measured in terms of both microstructural and macrostructural properties. Microstructural properties included lexical and syntactic measures of complexity such as subordinate vs. coordinate clauses and types of subordinate clauses. Macrostructure was measured in terms of the diversity in the use of internal state terms (ISTs) and story structure complexity, i.e., children's ability to produce important units of information that involve the setting, characters, events, and outcomes of the story, as well as the characters' thoughts and feelings. The findings demonstrate that high language ability and syntactic complexity pattern together in ASD children's narrative performance and that language ability compensates for autistic children's pragmatic deficit associated with the production of Theory of Mind-related ISTs. Nevertheless, both groups of children with ASD (high and low language ability) scored lower than the TD controls in the production of Theory of Mind-unrelated ISTs, modifier clauses and story structure complexity. PMID:29209258

  18. Syntactic and Story Structure Complexity in the Narratives of High- and Low-Language Ability Children with Autism Spectrum Disorder.

    Science.gov (United States)

    Peristeri, Eleni; Andreou, Maria; Tsimpli, Ianthi M

    2017-01-01

    Although language impairment is commonly associated with the autism spectrum disorder (ASD), the Diagnostic Statistical Manual no longer includes language impairment as a necessary component of an ASD diagnosis (American Psychiatric Association, 2013). However, children with ASD and no comorbid intellectual disability struggle with some aspects of language whose precise nature is still outstanding. Narratives have been extensively used as a tool to examine lexical and syntactic abilities, as well as pragmatic skills in children with ASD. This study contributes to this literature by investigating the narrative skills of 30 Greek-speaking children with ASD and normal non-verbal IQ, 16 with language skills in the upper end of the normal range (ASD-HL), and 14 in the lower end of the normal range (ASD-LL). The control group consisted of 15 age-matched typically-developing (TD) children. Narrative performance was measured in terms of both microstructural and macrostructural properties. Microstructural properties included lexical and syntactic measures of complexity such as subordinate vs. coordinate clauses and types of subordinate clauses. Macrostructure was measured in terms of the diversity in the use of internal state terms (ISTs) and story structure complexity, i.e., children's ability to produce important units of information that involve the setting, characters, events, and outcomes of the story, as well as the characters' thoughts and feelings. The findings demonstrate that high language ability and syntactic complexity pattern together in ASD children's narrative performance and that language ability compensates for autistic children's pragmatic deficit associated with the production of Theory of Mind-related ISTs. Nevertheless, both groups of children with ASD (high and low language ability) scored lower than the TD controls in the production of Theory of Mind-unrelated ISTs, modifier clauses and story structure complexity.

  19. Syntactic and Story Structure Complexity in the Narratives of High- and Low-Language Ability Children with Autism Spectrum Disorder

    Directory of Open Access Journals (Sweden)

    Eleni Peristeri

    2017-11-01

    Full Text Available Although language impairment is commonly associated with the autism spectrum disorder (ASD, the Diagnostic Statistical Manual no longer includes language impairment as a necessary component of an ASD diagnosis (American Psychiatric Association, 2013. However, children with ASD and no comorbid intellectual disability struggle with some aspects of language whose precise nature is still outstanding. Narratives have been extensively used as a tool to examine lexical and syntactic abilities, as well as pragmatic skills in children with ASD. This study contributes to this literature by investigating the narrative skills of 30 Greek-speaking children with ASD and normal non-verbal IQ, 16 with language skills in the upper end of the normal range (ASD-HL, and 14 in the lower end of the normal range (ASD-LL. The control group consisted of 15 age-matched typically-developing (TD children. Narrative performance was measured in terms of both microstructural and macrostructural properties. Microstructural properties included lexical and syntactic measures of complexity such as subordinate vs. coordinate clauses and types of subordinate clauses. Macrostructure was measured in terms of the diversity in the use of internal state terms (ISTs and story structure complexity, i.e., children's ability to produce important units of information that involve the setting, characters, events, and outcomes of the story, as well as the characters' thoughts and feelings. The findings demonstrate that high language ability and syntactic complexity pattern together in ASD children's narrative performance and that language ability compensates for autistic children's pragmatic deficit associated with the production of Theory of Mind-related ISTs. Nevertheless, both groups of children with ASD (high and low language ability scored lower than the TD controls in the production of Theory of Mind-unrelated ISTs, modifier clauses and story structure complexity.

  20. Fabrication of the tetrathiafulvalene–2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane charge transfer complex with high crystallinity by eutectic melting method

    Science.gov (United States)

    Kim, Jueun; Kang, Youngjong; Lee, Jaejong

    2018-06-01

    We show that high crystallinity and charge transporting gain can be obtained in a noble donor–acceptor system (CT complex) composed of organic complex: tetrathiafulvalene–2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TTF–F4TCNQ). The complex is small-gap organic metallic or semiconductor (less than 1 eV), and we predict having a high conductivity. We perform an approach to fabricate organic CT complex with high crystallinity by eutectic melting method. Our process is simple and shows crystal growth with improved crystallinity when combined with soft-lithography.

  1. Thermal coupling of a high temperature PEM fuel cell with a complex hydride tank

    DEFF Research Database (Denmark)

    Pfeifer, P.; Wall, C.; Jensen, Jens Oluf

    2009-01-01

    the possibilities of a thermal coupling of a high temperature PEM fuel cell operating at 160-200 degrees C. The starting temperatures and temperature hold-times before starting fuel cell operation, the heat transfer characteristics of the hydride storage tanks, system temperature, fuel cell electrical power......Sodium alanate doped with cerium catalyst has been proven to have fast kinetics for hydrogen ab- and de-sorption as well as a high gravimetric storage density around 5 wt%. The kinetics of hydrogen sorption can be improved by preparing the alanate as nanocrystalline material. However, the second...... decomposition step, i.e. the decomposition of the hexahydride to sodium hydride and aluminium which refers to 1.8 wt% hydrogen is supposed to happen above 110 degrees C. The discharge of the material is thus limited by the level of heat supplied to the hydride storage tank. Therefore, we evaluated...

  2. Hybrid RANS/LES method for high Reynolds numbers, applied to atmospheric flow over complex terrain

    DEFF Research Database (Denmark)

    Bechmann, Andreas; Sørensen, Niels N.; Johansen, Jeppe

    2007-01-01

      The use of Large-Eddy Simulation (LES) to predict wall-bounded flows has presently been limited to low Reynolds number flows. Since the number of computational grid points required to resolve the near-wall turbulent structures increase rapidly with Reynolds number, LES has been unattainable...... for flows at high Reynolds numbers. To reduce the computational cost of traditional LES a hybrid method is proposed in which the near-wall eddies are modelled in a Reynolds-averaged sense. Close to walls the flow is treated with the RANS-equations and this layer act as wall model for the outer flow handled...... by LES. The wellknown high Reynolds number two-equation k - ǫ turbulence model is used in the RANS layer and the model automatically switches to a two-equation k - ǫ subgrid-scale stress model in the LES region. The approach can be used for flow over rough walls. To demonstrate the ability...

  3. Experience of attaining high labor productivity in a stoping face using mechanized complex 110PK-70

    Energy Technology Data Exchange (ETDEWEB)

    Reshetnikov, M N

    1982-01-01

    In 1979 when the first 1 million T of coal was produced at the mine ''Zyryanovskaya'' high volumes of coal extraction were attained in individual months: in January 102,300 T, in July 122,200 T. In 1980, high results were also attained. In January 106,000 T were extracted and in November 108,500 T of coal. The brigade has accumulated experience for introducing scientific organization of labor and improving labor productivity. In 1977 labor productivity of the workers in the stoping face was 31.5 T per shift, in 1978 variable productivity was elevated to 48.2 T. In 1979 labor productivity reached 67.3 T per shift. The best results for productivity was reached in June 1979, 90 T at the outlet, in February 1980--81.1 T per shift. The success of the brigade is formed of many factors, technical, organizational, economic. The basis for high labor productivity of the workers is timely preparation of new longwalls, normal production conditions for fulfillment of plans and the adopted socialist commitments. An important factor in the work of the extraction brigade is the type and condition of mining equipment. The level of work organization as a whole depends on the brigade, directly on the miners and the section leaders themselves. High conscientiousness of all the brigade members also is important for improving labor productivity. The majority of workers in the brigade (about 70%) are members of the party. Mass technical creativity of all the brigade members is also a great reserve for improving labor efficiency. The brigade has 24 efficiency experts who annually introduce 20-30 suggestions each aimed at improving work efficiency.

  4. Laser rapid forming technology of high-performance dense metal components with complex structure

    Science.gov (United States)

    Huang, Weidong; Chen, Jing; Li, Yanming; Lin, Xin

    2005-01-01

    Laser rapid forming (LRF) is a new and advanced manufacturing technology that has been developed on the basis of combining high power laser cladding technology with rapid prototyping (RP) to realize net shape forming of high performance dense metal components without dies. Recently we have developed a set of LRF equipment. LRF experiments were carried out on the equipment to investigate the influences of processing parameters on forming characterizations systematically with the cladding powder materials as titanium alloys, superalloys, stainless steel, and copper alloys. The microstructure of laser formed components is made up of columnar grains or columnar dendrites which grow epitaxially from the substrate since the solid components were prepared layer by layer additionally. The result of mechanical testing proved that the mechanical properties of laser formed samples are similar to or even over that of forging and much better than that of casting. It is shown in this paper that LRF technology is providing a new solution for some difficult processing problems in the high tech field of aviation, spaceflight and automobile industries.

  5. Highly luminescent pure-red-emitting fluorinated β-diketonate europium(III) complex for full solution-processed OLEDs

    Energy Technology Data Exchange (ETDEWEB)

    Martins, Joao P. [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Serviço de Medicina Nuclear, SESARAM E.P.E., Avenida Luís de Camões 57, Funchal 9004-514, Madeira (Portugal); Martín-Ramos, Pablo [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Higher Technical School of Telecommunications Engineering, Universidad de Valladolid, Campus Miguel Delibes, Paseo Belén 15, Valladolid 47011 (Spain); Coya, Carmen, E-mail: carmen.coya@urjc.es [Escuela Superior de Ciencias Experimentales y Tecnología (ESCET), Universidad Rey Juan Carlos, Madrid 28933 (Spain); Silva, Manuela Ramos [CEMDRX, Physics Department, Universidade de Coimbra, Rua Larga, Coimbra P-3004-516 (Portugal); Eusebio, M. Ermelinda S. [Chemistry Department, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, Coimbra P-3004-535 (Portugal); Andrés, Alicia de [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas (CSIC), Cantoblanco, Madrid 28049 (Spain); Álvarez, Ángel L. [Escuela Superior de Ciencias Experimentales y Tecnología (ESCET), Universidad Rey Juan Carlos, Madrid 28933 (Spain); Martín-Gil, Jesús [Advanced Materials Laboratory, ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, Palencia 34004 (Spain)

    2015-03-15

    Current manufacturing technologies for OLEDs involve the use of expensive high vacuum techniques and call for thermal stability requirements which are not fulfilled by many materials. These problems disappear when the OLED films are deposited directly from solution. In this study, we have designed, synthesized and characterized a novel octacoordinated complex, Tris(1-(4-chlorophenyl)-4,4,4-trifluoro-1, 3-butanedionate)mono(bathophenanthroline) europium(III), to be used as a “complex-only” emissive layer in wet-processed OLEDs. Upon excitation in the UV region, very efficient energy transfer from the ligands to Eu{sup 3+} takes place, giving rise to intense red emission with very high monochromaticity (R=19), both in powder and as a thin film. The decay times of 754 µs (powder) and 620 µs (thin film) are comparable to those of the most efficient Eu{sup 3+} β-diketonate complexes reported to date. The same energy transfer leading to saturated red and narrow emission is also observed in the OLED device (glass/ITO/PEDOT:PSS/[Eu(cbtfa){sub 3}(bath)]/Ca/Al) when biased at >5.2 V. Its high quantum efficiency (∼60%), good thermal stability up to 200 °C and adequate thin film forming properties make this material a promising chromophore for cost-effective OLEDs. - Highlights: • A highly fluorinated europium(III) octacoordinated complex, [Eu(cbtfa)3(bath)], has been synthesized and its structure elucidated by single crystal X-ray diffraction. • The chosen coordination environment is well-suited for sensitizing the luminescence of the Eu{sup 3+} ion, achieving very efficient energy transfer from the organic ligands (excited in the UV region) to the rare earth ion, leading to highly efficient (Q∼60% in crystalline powder and Q∼50% in thin film) and saturated red photoluminescence. • The material has also been integrated into a single active layer, full solution-processed OLED, with ITO/PEDOT:PSS/[Eu(cbtfa)3(bath)]/ Ca/Al structure.

  6. Neptunium (V) Adsorption to a Halophilic Bacterium Under High Ionic Strength Conditions: A Surface Complexation Modeling Approach

    Energy Technology Data Exchange (ETDEWEB)

    Ams, David A [Los Alamos National Laboratory

    2012-06-11

    Rationale for experimental design: Np(V) -- important as analog for Pu(V) and for HLW scenarios; High ionic strength -- relevant to salt-based repositories such as the WIPP; Halophilic microorganisms -- representative of high ionic strength environments. For the first time showed: Significant adsorbant to halophilic microorganisms over entire pH range under high ionic strength conditions; Strong influence of ionic strength with increasing adsorption with increasing ionic strength (in contrast to trends of previous low ionic strength studies); Effect of aqueous Np(V) and bacterial surface site speciation on adsorption; and Developed thermodynamic models that can be incorporated into geochemical speciation models to aid in the prediction of the fate and transport of Np(V) in more complex systems.

  7. High-conductance surface-anchoring of a mechanically flexible platform-based porphyrin complex

    International Nuclear Information System (INIS)

    Hauptmann, Nadine; Buchmann, Kristof; Scheil, Katharina; Berndt, Richard; Groß, Lynn; Herrmann, Carmen; Schütt, Christian; Otte, Franziska L; Herges, Rainer

    2015-01-01

    The conductances of molecular model junctions comprising a triazatriangulenium platform with or without an ethynyl spacer and an upright Zn-porphyrin are probed with a low-temperature scanning probe microscope. The platform alone is found to be highly conductive. The ethynyl-linked Zn-porphyrin moiety reduces the conductance by three orders of magnitude and leads to an unexpected, non-monotonous variation of the force that was measured simultaneously at the tip of the microscope. Density functional theory calculations show that this variation results from an induced tilting of the porphyrin. (paper)

  8. Introduction of π-complexation into porous aromatic framework for highly selective adsorption of ethylene over ethane

    KAUST Repository

    Li, Baiyan

    2014-06-18

    In this work, we demonstrate for the first time the introduction of π-complexation into a porous aromatic framework (PAF), affording significant increase in ethylene uptake capacity, as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. IAST calculations using single-component-isotherm data and an equimolar ethylene/ethane ratio at 296 K reveal that PAF-1-SO3Ag shows exceptionally high ethylene/ethane adsorption selectivity (Sads: 27 to 125), far surpassing benchmark zeolite and any other MOF reported in literature. The formation of π-complexation between ethylene molecules and Ag(I) ions in PAF-1-SO 3Ag has been evidenced by the high isosteric heats of adsorption of C2H4 and also proved by in situ IR spectroscopy studies. Transient breakthrough experiments, supported by simulations, indicate the feasibility of PAF-1-SO3Ag for producing 99.95%+ pure C 2H4 in a Pressure Swing Adsorption operation. Our work herein thus suggests a new perspective to functionalizing PAFs and other types of advanced porous materials for highly selective adsorption of ethylene over ethane. © 2014 American Chemical Society.

  9. Use of activity-based probes to develop high throughput screening assays that can be performed in complex cell extracts.

    Directory of Open Access Journals (Sweden)

    Edgar Deu

    2010-08-01

    Full Text Available High throughput screening (HTS is one of the primary tools used to identify novel enzyme inhibitors. However, its applicability is generally restricted to targets that can either be expressed recombinantly or purified in large quantities.Here, we described a method to use activity-based probes (ABPs to identify substrates that are sufficiently selective to allow HTS in complex biological samples. Because ABPs label their target enzymes through the formation of a permanent covalent bond, we can correlate labeling of target enzymes in a complex mixture with inhibition of turnover of a substrate in that same mixture. Thus, substrate specificity can be determined and substrates with sufficiently high selectivity for HTS can be identified. In this study, we demonstrate this method by using an ABP for dipeptidyl aminopeptidases to identify (Pro-Arg2-Rhodamine as a specific substrate for DPAP1 in Plasmodium falciparum lysates and Cathepsin C in rat liver extracts. We then used this substrate to develop highly sensitive HTS assays (Z'>0.8 that are suitable for use in screening large collections of small molecules (i.e >300,000 for inhibitors of these proteases. Finally, we demonstrate that it is possible to use broad-spectrum ABPs to identify target-specific substrates.We believe that this approach will have value for many enzymatic systems where access to large amounts of active enzyme is problematic.

  10. Introduction of π-complexation into porous aromatic framework for highly selective adsorption of ethylene over ethane

    KAUST Repository

    Li, Baiyan; Zhang, Yiming; Krishna, Rajamani; Yao, Kexin; Han, Yu; Wu, Zili; Ma, Dingxuan; Shi, Zhan; Pham, Tony T.; Space, Brian; Liu, Jian; Thallapally, Praveen K.; Liu, Jun; Chrzanowski, Matthew; Ma, Shengqian

    2014-01-01

    In this work, we demonstrate for the first time the introduction of π-complexation into a porous aromatic framework (PAF), affording significant increase in ethylene uptake capacity, as illustrated in the context of Ag(I) ion functionalized PAF-1, PAF-1-SO3Ag. IAST calculations using single-component-isotherm data and an equimolar ethylene/ethane ratio at 296 K reveal that PAF-1-SO3Ag shows exceptionally high ethylene/ethane adsorption selectivity (Sads: 27 to 125), far surpassing benchmark zeolite and any other MOF reported in literature. The formation of π-complexation between ethylene molecules and Ag(I) ions in PAF-1-SO 3Ag has been evidenced by the high isosteric heats of adsorption of C2H4 and also proved by in situ IR spectroscopy studies. Transient breakthrough experiments, supported by simulations, indicate the feasibility of PAF-1-SO3Ag for producing 99.95%+ pure C 2H4 in a Pressure Swing Adsorption operation. Our work herein thus suggests a new perspective to functionalizing PAFs and other types of advanced porous materials for highly selective adsorption of ethylene over ethane. © 2014 American Chemical Society.

  11. Drug interactions in HIV patients treated in a high complexity hospital of Antofagasta city

    Directory of Open Access Journals (Sweden)

    Patricio R. Araya

    2017-11-01

    Full Text Available Context: From the beginning of the global HIV epidemic there has been a great concern about drug interactions (DI considering that up to 27% of all patients may be affected by at least one type of DI, this risk increases by receiving concomitant treatments. This DI leads to negative consequences such as adverse drug reactions (ADR, lack of treatment adherence and new hospital admissions. Aims: To determine the prevalence of DI of antiretroviral drugs and their clinical consequences in UNACESS-VIH-SIDA patients of Hospital Regional de Antofagasta. Methods: The study included a total of 100 HIV patients. To identify DI, Micromedex database was used. All data were gathered in a pharmaceutical datasheet, the theoretical DI were identified and real DI were detected by using hematologic tests and the patient’s clinical evolution. After the detection of any real DI, a pharmaceutical intervention took place. Results: A total of 106 DI were detected; 86% of DI found were related to drug’s pharmacokinetic properties, which were mostly metabolism related interactions (96.9%; the most commonly found associations were atazanavir with ritonavir, efavirenz with atorvastatin and efavirenz with gemfibrozil. The main clinical consequences associated with DI were ADR (49%. Conclusions: High prevalence of metabolism-related interactions was found and the antiretroviral drugs mostly associated with DI were found to be atazanavir, ritonavir y efavirenz. A high prevalence of ADR was found; however, they were mild or moderate.

  12. Highly Concentrated Alginate-Gellan Gum Composites for 3D Plotting of Complex Tissue Engineering Scaffolds

    Directory of Open Access Journals (Sweden)

    Ashwini Rahul Akkineni

    2016-04-01

    Full Text Available In tissue engineering, additive manufacturing (AM technologies have brought considerable progress as they allow the fabrication of three-dimensional (3D structures with defined architecture. 3D plotting is a versatile, extrusion-based AM technology suitable for processing a wide range of biomaterials including hydrogels. In this study, composites of highly concentrated alginate and gellan gum were prepared in order to combine the excellent printing properties of alginate with the favorable gelling characteristics of gellan gum. Mixtures of 16.7 wt % alginate and 2 or 3 wt % gellan gum were found applicable for 3D plotting. Characterization of the resulting composite scaffolds revealed an increased stiffness in the wet state (15%–20% higher Young’s modulus and significantly lower volume swelling in cell culture medium compared to pure alginate scaffolds (~10% vs. ~23%. Cytocompatibility experiments with human mesenchymal stem cells (hMSC revealed that cell attachment was improved—the seeding efficiency was ~2.5–3.5 times higher on the composites than on pure alginate. Additionally, the composites were shown to support hMSC proliferation and early osteogenic differentiation. In conclusion, print fidelity of highly concentrated alginate-gellan gum composites was comparable to those of pure alginate; after plotting and crosslinking, the scaffolds possessed improved qualities regarding shape fidelity, mechanical strength, and initial cell attachment making them attractive for tissue engineering applications.

  13. High Oxygen Reduction Reaction Performances of Cathode Materials Combining Polyoxometalates, Coordination Complexes, and Carboneous Supports.

    Science.gov (United States)

    Zhang, Shuangshuang; Oms, Olivier; Hao, Long; Liu, Rongji; Wang, Meng; Zhang, Yaqin; He, Hong-Yan; Dolbecq, Anne; Marrot, Jérôme; Keita, Bineta; Zhi, Linjie; Mialane, Pierre; Li, Bin; Zhang, Guangjin

    2017-11-08

    A series of carbonaceous-supported precious-metal-free polyoxometalate (POM)-based composites which can be easily synthesized on a large scale was shown to act as efficient cathode materials for the oxygen reduction reaction (ORR) in neutral or basic media via a four-electron mechanism with high durability. Moreover, exploiting the versatility of the considered system, its activity was optimized by the judicious choice of the 3d metals incorporated in the {(PW 9 ) 2 M 7 } (M = Co, Ni) POM core, the POM counterions and the support (thermalized triazine-based frameworks (TTFs), fluorine-doped TTF (TTF-F), reduced graphene oxide, or carbon Vulcan XC-72. In particular, for {(PW 9 ) 2 Ni 7 }/{Cu(ethylenediamine) 2 }/TTF-F, the overpotential required to drive the ORR compared well with those of Pt/C. This outstanding ORR electrocatalytic activity is linked with two synergistic effects due to the binary combination of the Cu and Ni centers and the strong interaction between the POM molecules and the porous and highly conducting TTF-F framework. To our knowledge, {(PW 9 ) 2 Ni 7 }/{Cu(ethylenediamine) 2 }/TTF-F represents the first example of POM-based noble-metal-free ORR electrocatalyst possessing both comparable ORR electrocatalytic activity and much higher stability than that of Pt/C in neutral medium.

  14. The role of temporal fine structure information for the low pitch of high-frequency complex tones

    DEFF Research Database (Denmark)

    Santurette, Sébastien; Dau, Torsten

    2011-01-01

    The fused low pitch evoked by complex tones containing only unresolved high-frequency components demonstrates the ability of the human auditory system to extract pitch using a temporal mechanism in the absence of spectral cues. However, the temporal features used by such a mechanism have been...... amplitude fluctuations, or temporal fine structure (TFS), of the conveyed signal can be processed. Using a pitch-matching paradigm, the present study found that the low pitch of inharmonic transposed tones with unresolved components was consistent with the timing between the most prominent TFS maxima...... coding as such, and that TFS representation might persist at higher frequencies than previously thought....

  15. Highly efficient one-step synthesis of carbon encapsulated nanocrystals by the oxidation of metal π-complexes

    Science.gov (United States)

    Liu, Boyang; Shao, Yingfeng; Xiang, Xin; Zhang, Fuhua; Yan, Shengchang; Li, Wenge

    2017-08-01

    Various carbon encapsulated nanocrystals, including MnS and MnO, Cr2O3, MoO2, Fe7S8 and Fe3O4, and ZrO2, are prepared in one step and in situ by a simple and highly efficient synthesis approach. The nanocrystals have an equiaxed morphology and a median size smaller than 30 nm. Tens and hundreds of these nanocrystals are entirely encapsulated by a wormlike amorphous carbon shell. The formation of a core-shell structure depends on the strongly exothermic reaction of metal π-complexes with ammonium persulfate in an autoclave at below 200 °C. During the oxidation process, the generated significant amounts of heat will destroy the molecular structure of the metal π-complex and cleave the ligands into small carbon fragments, which further transform into an amorphous carbon shell. The central metal atoms are oxidized to metal oxide/sulfide nanocrystals. The formation of a core-shell structure is independent of the numbers of ligands and carbon atoms as well as the metal types, implying that any metal π-complex can serve as a precursor and that various carbon encapsulated nanocrystals can be synthesized by this method.

  16. Control entropy identifies differential changes in complexity of walking and running gait patterns with increasing speed in highly trained runners.

    Science.gov (United States)

    McGregor, Stephen J; Busa, Michael A; Skufca, Joseph; Yaggie, James A; Bollt, Erik M

    2009-06-01

    Regularity statistics have been previously applied to walking gait measures in the hope of gaining insight into the complexity of gait under different conditions and in different populations. Traditional regularity statistics are subject to the requirement of stationarity, a limitation for examining changes in complexity under dynamic conditions such as exhaustive exercise. Using a novel measure, control entropy (CE), applied to triaxial continuous accelerometry, we report changes in complexity of walking and running during increasing speeds up to exhaustion in highly trained runners. We further apply Karhunen-Loeve analysis in a new and novel way to the patterns of CE responses in each of the three axes to identify dominant modes of CE responses in the vertical, mediolateral, and anterior/posterior planes. The differential CE responses observed between the different axes in this select population provide insight into the constraints of walking and running in those who may have optimized locomotion. Future comparisons between athletes, healthy untrained, and clinical populations using this approach may help elucidate differences between optimized and diseased locomotor control.

  17. Fingerprinting of complex mixtures with the use of high performance liquid chromatography, inductively coupled plasma atomic emission spectroscopy and chemometrics

    International Nuclear Information System (INIS)

    Ni Yongnian; Peng Yunyan; Kokot, Serge

    2008-01-01

    The molecular and metal profile fingerprints were obtained from a complex substance, Atractylis chinensis DC-a traditional Chinese medicine (TCM), with the use of the high performance liquid chromatography (HPLC) and inductively coupled plasma atomic emission spectroscopy (ICP-AES) techniques. This substance was used in this work as an example of a complex biological material, which has found application as a TCM. Such TCM samples are traditionally processed by the Bran, Cut, Fried and Swill methods, and were collected from five provinces in China. The data matrices obtained from the two types of analysis produced two principal component biplots, which showed that the HPLC fingerprint data were discriminated on the basis of the methods for processing the raw TCM, while the metal analysis grouped according to the geographical origin. When the two data matrices were combined into a one two-way matrix, the resulting biplot showed a clear separation on the basis of the HPLC fingerprints. Importantly, within each different grouping the objects separated according to their geographical origin, and they ranked approximately in the same order in each group. This result suggested that by using such an approach, it is possible to derive improved characterisation of the complex TCM materials on the basis of the two kinds of analytical data. In addition, two supervised pattern recognition methods, K-nearest neighbors (KNNs) method, and linear discriminant analysis (LDA), were successfully applied to the individual data matrices-thus, supporting the PCA approach

  18. Polymer-free nanofibers from vanillin/cyclodextrin inclusion complexes: high thermal stability, enhanced solubility and antioxidant property.

    Science.gov (United States)

    Celebioglu, Asli; Kayaci-Senirmak, Fatma; İpek, Semran; Durgun, Engin; Uyar, Tamer

    2016-07-13

    Vanillin/cyclodextrin inclusion complex nanofibers (vanillin/CD-IC NFs) were successfully obtained from three modified CD types (HPβCD, HPγCD and MβCD) in three different solvent systems (water, DMF and DMAc) via an electrospinning technique without using a carrier polymeric matrix. Vanillin/CD-IC NFs with uniform and bead-free fiber morphology were successfully produced and their free-standing nanofibrous webs were obtained. The polymer-free CD/vanillin-IC-NFs allow us to accomplish a much higher vanillin loading (∼12%, w/w) when compared to electrospun polymeric nanofibers containing CD/vanillin-IC (∼5%, w/w). Vanillin has a volatile nature yet, after electrospinning, a significant amount of vanillin was preserved due to complex formation depending on the CD types. Maximum preservation of vanillin was observed for vanillin/MβCD-IC NFs which is up to ∼85% w/w, besides, a considerable amount of vanillin (∼75% w/w) was also preserved for vanillin/HPβCD-IC NFs and vanillin/HPγCD-IC NFs. Phase solubility studies suggested a 1 : 1 molar complexation tendency between guest vanillin and host CD molecules. Molecular modelling studies and experimental findings revealed that vanillin : CD complexation was strongest for MβCD when compared to HPβCD and HPγCD in vanillin/CD-IC NFs. For vanillin/CD-IC NFs, water solubility and the antioxidant property of vanillin was improved significantly owing to inclusion complexation. In brief, polymer-free vanillin/CD-IC NFs are capable of incorporating a much higher loading of vanillin and effectively preserve volatile vanillin. Hence, encapsulation of volatile active agents such as flavor, fragrance and essential oils in electrospun polymer-free CD-IC NFs may have potential for food related applications by integrating the particularly large surface area of NFs with the non-toxic nature of CD and inclusion complexation benefits, such as high temperature stability, improved water solubility and an enhanced

  19. Generation of tooth-periodontium complex structures using high-odontogenic potential dental epithelium derived from mouse embryonic stem cells.

    Science.gov (United States)

    Zhang, Yancong; Li, Yongliang; Shi, Ruirui; Zhang, Siqi; Liu, Hao; Zheng, Yunfei; Li, Yan; Cai, Jinglei; Pei, Duanqing; Wei, Shicheng

    2017-06-08

    A number of studies have shown that tooth-like structures can be regenerated using induced pluripotent stem cells and mouse embryonic stem (mES) cells. However, few studies have reported the regeneration of tooth-periodontium complex structures, which are more suitable for clinical tooth transplantation. We established an optimized approach to induce high-odontogenic potential dental epithelium derived from mES cells by temporally controlling bone morphogenic protein 4 (BMP4) function and regenerated tooth-periodontium complex structures in vivo. First, immunofluorescence and quantitative reverse transcription-polymerase chain reaction were used to identify the watershed of skin and the oral ectoderm. LDN193189 was then used to inhibit the BMP4 receptor around the watershed, followed by the addition of exogenous BMP4 to promote BMP4 function. The generated dental epithelium was confirmed by western blot analysis and immunofluorescence. The generated epithelium was ultimately combined with embryonic day 14.5 mouse mesenchyme and transplanted into the renal capsules of nude mice. After 4 weeks, the tooth-periodontium complex structure was examined by micro-computed tomography (CT) and hematoxylin and eosin (H&E) staining. Our study found that the turning point of oral ectoderm differentiation occurred around day 3 after the embryoid body was transferred to a common culture plate. Ameloblastin-positive dental epithelial cells were detected following the temporal regulation of BMP4. Tooth-periodontium complex structures, which included teeth, a periodontal membrane, and alveolar bone, were formed when this epithelium was combined with mouse dental mesenchyme and transplanted into the renal capsules of nude mice. Micro-CT and H&E staining revealed that the generated tooth-periodontium complex structures shared a similar histological structure with normal mouse teeth. An optimized induction method was established to promote the differentiation of mES cells into dental

  20. Optimizing the Relaxivity of MRI Probes at High Magnetic Field Strengths With Binuclear GdIII Complexes

    Directory of Open Access Journals (Sweden)

    Loredana Leone

    2018-05-01

    Full Text Available The key criteria to optimize the relaxivity of a Gd(III contrast agent at high fields (defined as the region ≥ 1.5 T can be summarized as follows: (i the occurrence of a rotational correlation time τR in the range of ca. 0.2–0.5 ns; (ii the rate of water exchange is not critical, but a τM < 100 ns is preferred; (iii a relevant contribution from water molecules in the second sphere of hydration. In addition, the use of macrocycle-based systems ensures the formation of thermodynamically and kinetically stable Gd(III complexes. Binuclear Gd(III complexes could potentially meet these requirements. Their efficiency depends primarily on the degree of flexibility of the linker connecting the two monomeric units, the absence of local motions and the presence of contribution from the second sphere water molecules. With the aim to maximize relaxivity (per Gd over a wide range of magnetic field strengths, two binuclear Gd(III chelates derived from the well-known macrocyclic systems DOTA-monopropionamide and HPDO3A (Gd2L1 and Gd2L2, respectively were synthesized through a multistep synthesis. Chemical Exchange Saturation Transfer (CEST experiments carried out on Eu2L2 at different pH showed the occurrence of a CEST effect at acidic pH that disappears at neutral pH, associated with the deprotonation of the hydroxyl groups. Then, a complete 1H and 17O NMR relaxometric study was carried out in order to evaluate the parameters that govern the relaxivity associated with these complexes. The relaxivities of Gd2L1 and Gd2L2 (20 MHz, 298 K are 8.7 and 9.5 mM−1 s−1, respectively, +77% and +106% higher than the relaxivity values of the corresponding mononuclear GdDOTAMAP-En and GdHPDO3A complexes. A significant contribution of second sphere water molecules was accounted for the strong relaxivity enhancement of Gd2L2. MR phantom images of the dinuclear complexes compared to GdHPDO3A, recorded at 7 T, confirmed the superiority of Gd2L2. Finally, ab initio

  1. Mechanisms of formation of trace decomposition products in complex high explosive mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Woodyard, J.D.; Burgess, C.E. [West Texas A and M Univ., Canyon, TX (United States); Rainwater, K.A. [Texas Tech Univ., Lubbock, TX (United States)

    1999-03-01

    A significant concern in the nation`s stockpile surveillance program in prediction of the lifetimes of the high explosives (HE) and their components as the weapons age. The Department of Energy`s Core Surveillance and Enhanced Surveillance programs specifically target issues of degradation of HE, binders, and plastic-bonded explosives (PBX) for determination of component lifetimes and handling procedures. These material science topics are being addressed at the DOE national laboratories and production plants, including Pantex. The principal goal of this project is to identify the mechanisms of decomposition of HE, plasticizers, plastic polymer binders, and radical stabilizers resulting from exposures to ionizing radiation, heat, and humidity. The following reports the work completed for 1998, including a comprehensive literature review about some of the materials examined and the laboratory work completed to date. The materials focused on in the laboratory are TATB, Estane 5301, and Irganox 1010.

  2. High nymphal host density and mortality negatively impact parasitoid complex during an insect herbivore outbreak.

    Science.gov (United States)

    Hall, Aidan A G; Johnson, Scott N; Cook, James M; Riegler, Markus

    2017-08-26

    Insect herbivore outbreaks frequently occur and this may be due to factors that restrict top-down control by parasitoids, for example, host-parasitoid asynchrony, hyperparasitization, resource limitation and climate. Few studies have examined host-parasitoid density relationships during an insect herbivore outbreak in a natural ecosystem with diverse parasitoids. We studied parasitization patterns of Cardiaspina psyllids during an outbreak in a Eucalyptus woodland. First, we established the trophic roles of the parasitoids through a species-specific multiplex PCR approach on mummies from which parasitoids emerged. Then, we assessed host-parasitoid density relationships across three spatial scales (leaf, tree and site) over one year. We detected four endoparasitoid species of the family Encyrtidae (Hymenoptera); two primary parasitoid and one heteronomous hyperparasitoid Psyllaephagus species (the latter with female development as a primary parasitoid and male development as a hyperparasitoid), and the hyperparasitoid Coccidoctonus psyllae. Parasitoid development was host-synchronized, although synchrony between sites appeared constrained during winter (due to temperature differences). Parasitization was predominantly driven by one primary parasitoid species and was mostly inversely host-density dependent across the spatial scales. Hyperparasitization by C. psyllae was psyllid-density dependent at the site scale, however, this only impacted the rarer primary parasitoid. High larval parasitoid mortality due to density-dependent nymphal psyllid mortality (a consequence of resource limitation) compounded by a summer heat wave was incorporated in the assessment and resulted in density independence of host-parasitoid relationships. As such, high larval parasitoid mortality during insect herbivore outbreaks may contribute to the absence of host density-dependent parasitization during outbreak events. © 2017 Institute of Zoology, Chinese Academy of Sciences.

  3. [Social phobia - the blind spot: infrequently diagnosed, highly complex, and a predictor for unfavourable therapy outcomes?].

    Science.gov (United States)

    Pöhlmann, Karin; Döbbel, Susanne; Löffler, Sabine; Israel, Matthias; Joraschky, Peter

    2009-01-01

    The objectives of the study were to examine (1) whether patients with social phobia report higher symptom load at the beginning and at the end of treatment and 1 year after treatment; and (2) whether the presence of social phobia is a factor that influences the course of treatment. 613 patients from a university hospital for psychosomatic medicine filled out questionnaires assessing symptom load (SCL 90-R, KOPS), physical symptoms, psychological and social impairment (KOPS), and depression (BDI). Social phobia was diagnosed based on a standardized diagnostic interview. 25%of the patients suffered from social phobia. They had significantly more concurrent mental disorders (4.18 vs. 2.41) and a higher symptom load than patients suffering from other mental disorders. They reported more physical complaints and depression and felt more impaired psychologically as well as socially. Even though both groups of patients profited from the treatment, compared to other patients, social phobia patients still had higher symptom load, impairment, and depression scores at the end of treatment and even at the follow-up 1 year after treatment. Social phobia is a severe disorder in which concurrent disorders frequently cause a high level of distress and impairment. These patients may benefit more from longer courses of treatment and/or disorder-specific treatment elements. Diagnostic and therapy approaches tailored to the generalized type of social anxiety are discussed.

  4. Monitoring performance of a highly distributed and complex computing infrastructure in LHCb

    Science.gov (United States)

    Mathe, Z.; Haen, C.; Stagni, F.

    2017-10-01

    In order to ensure an optimal performance of the LHCb Distributed Computing, based on LHCbDIRAC, it is necessary to be able to inspect the behavior over time of many components: firstly the agents and services on which the infrastructure is built, but also all the computing tasks and data transfers that are managed by this infrastructure. This consists of recording and then analyzing time series of a large number of observables, for which the usage of SQL relational databases is far from optimal. Therefore within DIRAC we have been studying novel possibilities based on NoSQL databases (ElasticSearch, OpenTSDB and InfluxDB) as a result of this study we developed a new monitoring system based on ElasticSearch. It has been deployed on the LHCb Distributed Computing infrastructure for which it collects data from all the components (agents, services, jobs) and allows creating reports through Kibana and a web user interface, which is based on the DIRAC web framework. In this paper we describe this new implementation of the DIRAC monitoring system. We give details on the ElasticSearch implementation within the DIRAC general framework, as well as an overview of the advantages of the pipeline aggregation used for creating a dynamic bucketing of the time series. We present the advantages of using the ElasticSearch DSL high-level library for creating and running queries. Finally we shall present the performances of that system.

  5. Federalism, the economic-industrial health care complex and high-cost pharmaceutical assistance in Brazil.

    Science.gov (United States)

    da Fonseca, Elize Massard; Costa, Nilson do Rosario

    2015-04-01

    Brazil has a relevant, although relatively unknown, special medicines programme that distributes high-cost products, such as drugs needed for cancer treatments. In 2009, the purchase of these medicines became the responsibility of the Brazilian Federal Government. Until then, there were no clear norms regarding the responsibilities, in terms of the management/financing of these medicines, of the Brazilian Federal Government and of the states themselves. This qualitative study analyses the policy process needed to transfer this programme to the central government. The study examines the reports of the Tripartite Commission between 2000 and 2012, and in-depth interviews with eleven key informants were conducted. The study demonstrates that throughout the last decade, institutional changes have been made in regard to the federal management of these programmes (such as recentralisation of the purchasing of medicines). It concludes that these changes can be explained because of the efficiency of the coordinating mechanisms of the Federal Government. These findings reinforce the idea that the Ministry of Health is the main driver of public health policies, and it has opted for the recentralisation of activities as a result of the development project implicit in the agenda of the Industrial and Economic Heal.

  6. Crop area estimation using high and medium resolution satellite imagery in areas with complex topography

    Science.gov (United States)

    Husak, G. J.; Marshall, M. T.; Michaelsen, J.; Pedreros, D.; Funk, C.; Galu, G.

    2008-07-01

    Reliable estimates of cropped area (CA) in developing countries with chronic food shortages are essential for emergency relief and the design of appropriate market-based food security programs. Satellite interpretation of CA is an effective alternative to extensive and costly field surveys, which fail to represent the spatial heterogeneity at the country-level. Bias-corrected, texture based classifications show little deviation from actual crop inventories, when estimates derived from aerial photographs or field measurements are used to remove systematic errors in medium resolution estimates. In this paper, we demonstrate a hybrid high-medium resolution technique for Central Ethiopia that combines spatially limited unbiased estimates from IKONOS images, with spatially extensive Landsat ETM+ interpretations, land-cover, and SRTM-based topography. Logistic regression is used to derive the probability of a location being crop. These individual points are then aggregated to produce regional estimates of CA. District-level analysis of Landsat based estimates showed CA totals which supported the estimates of the Bureau of Agriculture and Rural Development. Continued work will evaluate the technique in other parts of Africa, while segmentation algorithms will be evaluated, in order to automate classification of medium resolution imagery for routine CA estimation in the future.

  7. IMPROVING THE EFFICIENCY OF THE STATE FINANCIAL CONTROL IN THE SPHERE OF HIGH-TECH MILITARY-INDUSTRIAL COMPLEX

    Directory of Open Access Journals (Sweden)

    Anzhela Zakhitovna Namitulina

    2016-01-01

    Full Text Available The presented research topic is particularly relevant due to the high value and the need to strengthen fi nancial control for the development of the military-industrial complex (MIC, to ensure the country's economic security, preservation and development of scientifi c and technical potential. The urgency of acquiring those aspects of economic relations which are connected with the supply the export of high-tech military products in a limited budget funding State should have levers of infl uence on the functioning of the military-industrial complex, the ability to pursue an independent foreign military-technical policy. In the new economic conditions, it became necessary to address the problems of fi nancial security of the defense-industrial complex, in order to strengthen the independence and security of Russia, as well as the need to give priority nature of the measures of state control in the economy related to the implementation of the defense order, ie, in the sphere of military-industrial complex. At the present stage of economic development of Russia, the rate of growth of the national economy largely depends on what the situation is in the military-industrial complex (MIC. This is due to the fact that the defense industry is the most high-quality, high-tech economy. It concentrated the largest part of the Russian potential, the best staff of scientists and experts. Products and DIC technology widely used in other industries. The modern military-industrial complex produces a signifi cant part of civil production. DIC integration with civilian industries – it is also a technological basis for solving the basic problems currently facing the Russian economy, and, above all, the basis of the formation of a new technological basis for the development of high technology and competitive products, which determines the pace of scientifi c and technological progress and the growth of the national economy. Objectives. The aim of the paper is the

  8. Inelastic scattering and endohedral complex formation in high-energy collisions of fullerenes with He

    International Nuclear Information System (INIS)

    Callahan, J.H.; Mowrey, R.C.; Ross, M.M.

    1992-01-01

    Since the original postulation of its icosahedral structure by Smalley and Kroto in 1985, C 60 (also known as buckminsterfullerene) has fascinated investigators in a variety of fields. With the publication of a synthetic method for the bulk production of C 60 , there has been an explosion of research interest in this molecule. A number of intriguing experimental results have been published, including work in the area of mass spectrometry. For example, at a workshop at the 1991 ASMS meeting, Schwartz and coworkers reported a remarkable result. They showed that high energy collisions of C 60 + with He resulted not only in the expected formation of collision-induced dissociation (CID) products such as C 56 + and C 58 + (C 2 loss is the main fragmentation pathway for C 60 ), but also in the formation of products such as C 56 + + 4 and C 58 + + 4. Careful experiments with He showed that the products were C 56 He + and C 58 He + , most likely formed by the uptake of He by C 60 + during the collision. Subsequent experiments in this laboratory were able to directly observe the C 60 He + product, the product ion shifts in kinetic energy by an amount equal to the center-of-mass collision energy, consistent with kinematic arguments. C 60 He + was also observed by the Gross group and the Schwarz group. Gross and coworkers also showed that inelastic scattering processes can be observed in the collision spectrum. More recently, the Anderson group has studied reverse processes, in which ions such as He + , Li + , and C + undergo collisions with C 60 and are taken up in the collision

  9. Albumin is synthesized in epididymis and aggregates in a high molecular mass glycoprotein complex involved in sperm-egg fertilization.

    Directory of Open Access Journals (Sweden)

    Kélen Fabíola Arroteia

    Full Text Available The epididymis has an important role in the maturation of sperm for fertilization, but little is known about the epididymal molecules involved in sperm modifications during this process. We have previously described the expression pattern for an antigen in epididymal epithelial cells that reacts with the monoclonal antibody (mAb TRA 54. Immunohistochemical and immunoblotting analyses suggest that the epitope of the epididymal antigen probably involves a sugar moiety that is released into the epididymal lumen in an androgen-dependent manner and subsequently binds to luminal sperm. Using column chromatography, SDS-PAGE with in situ digestion and mass spectrometry, we have identified the protein recognized by mAb TRA 54 in mouse epididymal epithelial cells. The ∼65 kDa protein is part of a high molecular mass complex (∼260 kDa that is also present in the sperm acrosomal vesicle and is completely released after the acrosomal reaction. The amino acid sequence of the protein corresponded to that of albumin. Immunoprecipitates with anti-albumin antibody contained the antigen recognized by mAb TRA 54, indicating that the epididymal molecule recognized by mAb TRA 54 is albumin. RT-PCR detected albumin mRNA in the epididymis and fertilization assays in vitro showed that the glycoprotein complex containing albumin was involved in the ability of sperm to recognize and penetrate the egg zona pellucida. Together, these results indicate that epididymal-derived albumin participates in the formation of a high molecular mass glycoprotein complex that has an important role in egg fertilization.

  10. Application of high performance liquid chromatography for the profiling of complex chemical mixtures with the aid of chemometrics.

    Science.gov (United States)

    Ni, Yongnian; Zhang, Liangsheng; Churchill, Jane; Kokot, Serge

    2007-06-15

    In this paper, chemometrics methods were applied to resolve the high performance liquid chromatography (HPLC) fingerprints of complex, many-component substances to compare samples from a batch from a given manufacturer, or from those of different producers. As an example of such complex substances, we used a common Chinese traditional medicine, Huoxiang Zhengqi Tincture (HZT) for this research. Twenty-one samples, each representing a separate HZT production batch from one of three manufacturers were analyzed by HPLC with the aid of a diode array detector (DAD). An Agilent Zorbax Eclipse XDB-C18 column with an Agilent Zorbax high pressure reliance cartridge guard-column were used. The mobile phase consisted of water (A) and methanol (B) with a gradient program of 25-65% (v/v, B) during 0-30min, 65-55% (v/v, B) during 30-35min and 55-100% (v/v, B) during 35-60min (flow rate, 1.0mlmin(-1); injection volume, 20mul; and column temperature-ambient). The detection wavelength was adjusted for maximum sensitivity at different time periods. A peak area matrix with 21objectsx14HPLC variables was obtained by sampling each chromatogram at 14 common retention times. Similarities were then calculated to discriminate the batch-to-batch samples and also, a more informative multi-criteria decision making methodology (MCDM), PROMETHEE and GAIA, was applied to obtain more information from the chromatograms in order to rank and compare the complex HZT profiles. The results showed that with the MCDM analysis, it was possible to match and discriminate correctly the batch samples from the three different manufacturers. Fourier transform infrared (FT-IR) spectra taken from samples from several batches were compared by the common similarity method with the HPLC results. It was found that the FT-IR spectra did not discriminate the samples from the different batches.

  11. Explaining high and low performers in complex intervention trials: a new model based on diffusion of innovations theory.

    Science.gov (United States)

    McMullen, Heather; Griffiths, Chris; Leber, Werner; Greenhalgh, Trisha

    2015-05-31

    Complex intervention trials may require health care organisations to implement new service models. In a recent cluster randomised controlled trial, some participating organisations achieved high recruitment, whereas others found it difficult to assimilate the intervention and were low recruiters. We sought to explain this variation and develop a model to inform organisational participation in future complex intervention trials. The trial included 40 general practices in a London borough with high HIV prevalence. The intervention was offering a rapid HIV test as part of the New Patient Health Check. The primary outcome was mean CD4 cell count at diagnosis. The process evaluation consisted of several hundred hours of ethnographic observation, 21 semi-structured interviews and analysis of routine documents (e.g., patient leaflets, clinical protocols) and trial documents (e.g., inclusion criteria, recruitment statistics). Qualitative data were analysed thematically using--and, where necessary, extending--Greenhalgh et al.'s model of diffusion of innovations. Narrative synthesis was used to prepare case studies of four practices representing maximum variety in clinicians' interest in HIV (assessed by level of serological testing prior to the trial) and performance in the trial (high vs. low recruiters). High-recruiting practices were, in general though not invariably, also innovative practices. They were characterised by strong leadership, good managerial relations, readiness for change, a culture of staff training and available staff time ('slack resources'). Their front-line staff believed that patients might benefit from the rapid HIV test ('relative advantage'), were emotionally comfortable administering it ('compatibility'), skilled in performing it ('task issues') and made creative adaptations to embed the test in local working practices ('reinvention'). Early experience of a positive HIV test ('observability') appeared to reinforce staff commitment to recruiting

  12. High-speed low-complexity video coding with EDiCTius: a DCT coding proposal for JPEG XS

    Science.gov (United States)

    Richter, Thomas; Fößel, Siegfried; Keinert, Joachim; Scherl, Christian

    2017-09-01

    In its 71th meeting, the JPEG committee issued a call for low complexity, high speed image coding, designed to address the needs of low-cost video-over-ip applications. As an answer to this call, Fraunhofer IIS and the Computing Center of the University of Stuttgart jointly developed an embedded DCT image codec requiring only minimal resources while maximizing throughput on FPGA and GPU implementations. Objective and subjective tests performed for the 73rd meeting confirmed its excellent performance and suitability for its purpose, and it was selected as one of the two key contributions for the development of a joined test model. In this paper, its authors describe the design principles of the codec, provide a high-level overview of the encoder and decoder chain and provide evaluation results on the test corpus selected by the JPEG committee.

  13. Consistent manufacturing and quality control of a highly complex recombinant polyclonal antibody product for human therapeutic use.

    Science.gov (United States)

    Frandsen, Torben P; Naested, Henrik; Rasmussen, Søren K; Hauptig, Peter; Wiberg, Finn C; Rasmussen, Lone Kjaer; Jensen, Anne Marie Valentin; Persson, Pia; Wikén, Margareta; Engström, Anders; Jiang, Yun; Thorpe, Susan J; Förberg, Cecilia; Tolstrup, Anne B

    2011-09-01

    The beneficial effect of antibody therapy in human disease has become well established mainly for the treatment of cancer and immunological disorders. The inherent monospecificity of mAbs present limitations to mAb therapy which have become apparent notably in addressing complex entities like infectious agents or heterogenic endogenous targets. For such indications mixtures of antibodies comprising a combination of specificities would convey more potent biological effect which could translate into therapeutic efficacy. Recombinant polyclonal antibodies (rpAb) consisting of a defined number of well-characterized mAbs constitute a new class of target specific antibody therapy. We have developed a cost-efficient cell banking and single-batch manufacturing concept for the production of such products and demonstrate that a complex pAb composition, rozrolimupab, comprising 25 individual antibodies can be manufactured in a highly consistent manner in a scaled-up manufacturing process. We present a strategy for the release and characterization of antibody mixtures which constitute a complete series of chemistry, manufacturing, and control (CMC) analytical methods to address identity, purity, quantity, potency, and general characteristics. Finally we document selected quality attributes of rozrolimupab based on a battery of assays at the genetic-, protein-, and functional level and demonstrate that the manufactured rozrolimupab batches are highly pure and very uniform in their composition. Copyright © 2011 Wiley Periodicals, Inc.

  14. Effect of High-Carbohydrate Diet on Plasma Metabolome in Mice with Mitochondrial Respiratory Chain Complex III Deficiency

    Directory of Open Access Journals (Sweden)

    Jayasimman Rajendran

    2016-11-01

    Full Text Available Mitochondrial disorders cause energy failure and metabolic derangements. Metabolome profiling in patients and animal models may identify affected metabolic pathways and reveal new biomarkers of disease progression. Using liver metabolomics we have shown a starvation-like condition in a knock-in (Bcs1lc.232A>G mouse model of GRACILE syndrome, a neonatal lethal respiratory chain complex III dysfunction with hepatopathy. Here, we hypothesized that a high-carbohydrate diet (HCD, 60% dextrose will alleviate the hypoglycemia and promote survival of the sick mice. However, when fed HCD the homozygotes had shorter survival (mean ± SD, 29 ± 2.5 days, n = 21 than those on standard diet (33 ± 3.8 days, n = 30, and no improvement in hypoglycemia or liver glycogen depletion. We investigated the plasma metabolome of the HCD- and control diet-fed mice and found that several amino acids and urea cycle intermediates were increased, and arginine, carnitines, succinate, and purine catabolites decreased in the homozygotes. Despite reduced survival the increase in aromatic amino acids, an indicator of liver mitochondrial dysfunction, was normalized on HCD. Quantitative enrichment analysis revealed that glycine, serine and threonine metabolism, phenylalanine and tyrosine metabolism, and urea cycle were also partly normalized on HCD. This dietary intervention revealed an unexpected adverse effect of high-glucose diet in complex III deficiency, and suggests that plasma metabolomics is a valuable tool in evaluation of therapies in mitochondrial disorders.

  15. Complex quantum transport in a modulation doped strained Ge quantum well heterostructure with a high mobility 2D hole gas

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, C., E-mail: c.morrison.2@warwick.ac.uk; Casteleiro, C.; Leadley, D. R.; Myronov, M. [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom)

    2016-09-05

    The complex quantum transport of a strained Ge quantum well (QW) modulation doped heterostructure with two types of mobile carriers has been observed. The two dimensional hole gas (2DHG) in the Ge QW exhibits an exceptionally high mobility of 780 000 cm{sup 2}/Vs at temperatures below 10 K. Through analysis of Shubnikov de-Haas oscillations in the magnetoresistance of this 2DHG below 2 K, the hole effective mass is found to be 0.065 m{sub 0}. Anomalous conductance peaks are observed at higher fields which deviate from standard Shubnikov de-Haas and quantum Hall effect behaviour due to conduction via multiple carrier types. Despite this complex behaviour, analysis using a transport model with two conductive channels explains this behaviour and allows key physical parameters such as the carrier effective mass, transport, and quantum lifetimes and conductivity of the electrically active layers to be extracted. This finding is important for electronic device applications, since inclusion of highly doped interlayers which are electrically active, for enhancement of, for example, room temperature carrier mobility, does not prevent analysis of quantum transport in a QW.

  16. Complex quantum transport in a modulation doped strained Ge quantum well heterostructure with a high mobility 2D hole gas

    Science.gov (United States)

    Morrison, C.; Casteleiro, C.; Leadley, D. R.; Myronov, M.

    2016-09-01

    The complex quantum transport of a strained Ge quantum well (QW) modulation doped heterostructure with two types of mobile carriers has been observed. The two dimensional hole gas (2DHG) in the Ge QW exhibits an exceptionally high mobility of 780 000 cm2/Vs at temperatures below 10 K. Through analysis of Shubnikov de-Haas oscillations in the magnetoresistance of this 2DHG below 2 K, the hole effective mass is found to be 0.065 m0. Anomalous conductance peaks are observed at higher fields which deviate from standard Shubnikov de-Haas and quantum Hall effect behaviour due to conduction via multiple carrier types. Despite this complex behaviour, analysis using a transport model with two conductive channels explains this behaviour and allows key physical parameters such as the carrier effective mass, transport, and quantum lifetimes and conductivity of the electrically active layers to be extracted. This finding is important for electronic device applications, since inclusion of highly doped interlayers which are electrically active, for enhancement of, for example, room temperature carrier mobility, does not prevent analysis of quantum transport in a QW.

  17. Towards high-throughput phenotyping of complex patterned behaviors in rodents: focus on mouse self-grooming and its sequencing.

    Science.gov (United States)

    Kyzar, Evan; Gaikwad, Siddharth; Roth, Andrew; Green, Jeremy; Pham, Mimi; Stewart, Adam; Liang, Yiqing; Kobla, Vikrant; Kalueff, Allan V

    2011-12-01

    Increasingly recognized in biological psychiatry, rodent self-grooming is a complex patterned behavior with evolutionarily conserved cephalo-caudal progression. While grooming is traditionally assessed by the latency, frequency and duration, its sequencing represents another important domain sensitive to various experimental manipulations. Such behavioral complexity requires novel objective approaches to quantify rodent grooming, in addition to time-consuming and highly variable manual observation. The present study combined modern behavior-recognition video-tracking technologies (CleverSys, Inc.) with manual observation to characterize in-depth spontaneous (novelty-induced) and artificial (water-induced) self-grooming in adult male C57BL/6J mice. We specifically focused on individual episodes of grooming (paw licking, head washing, body/leg washing, and tail/genital grooming), their duration and transitions between episodes. Overall, the frequency, duration and transitions detected using the automated approach significantly correlated with manual observations (R=0.51-0.7, pgrooming, also indicating that behavior-recognition tools can be applied to characterize both the amount and sequential organization (patterning) of rodent grooming. Together with further refinement and methodological advancement, this approach will foster high-throughput neurophenotyping of grooming, with multiple applications in drug screening and testing of genetically modified animals. Copyright © 2011 Elsevier B.V. All rights reserved.

  18. The role of hydrothermal processes in concentrating high-field strength elements in the Strange Lake peralkaline complex, northeastern Canada

    Science.gov (United States)

    Salvi, Stefano; Williams-Jones, Anthony E.

    1996-06-01

    The middle-Proterozoic peralkaline pluton at Strange Lake, Quebec/Labrador, comprises hypersolvus to subsolvus phases which are unusually enriched in Zr, Y, REEs, Nb, Be, and F, as exotic alkali and alkaline-earth silicate minerals. The highest concentrations of these elements are in subsolvus granite, which underwent intense low temperature (≤200°C) hydrothermal alteration involving hematization and the replacement of alkali high-field strength element (HFSE) minerals by calcic equivalents. This alteration is interpreted to have been caused by meteoric or formational waters. High temperature (≥ 350°C) alteration, attributed to orthomagmatic fluids, is evident in other parts of the subsolvus granite by the replacement of arfvedsonite by aegirine. Comparisons of the chemical compositions of fresh and altered rocks indicate that rocks subjected to high temperature alteration were chemically unaffected, except for depletion in Zr, Y, and HREEs. These elements were appreciably enriched in rocks that underwent low temperature alteration. Other elements affected by low temperature alteration include Ca and Mg, which were added and Na, which was removed. Available data on HFSE speciation in aqueous fluids and the chemistry of the pluton, suggest that the HFSEs were transported as fluoride complexes. If this was the case, the low temperature fluid could not have been responsible for HFSE transport, because the high concentration of Ca and low solubility of fluorite would have buffered F - activity to levels too low to permit significant complexation. We propose that HFSE mineralization and accompanying alteration were the result of mixing, in the apical parts of the pluton, of a F-rich, essentially Ca-free orthomagmatic fluid containing significant concentrations of HFSEs, with an externally derived meteoric-dominated fluid, enriched in Ca as a result of interaction with calc-silicate gneisses and gabbros. According to this interpretation, the latter fluid was

  19. The characterization of secondary lithium-ion battery degradation when operating complex, ultra-high power pulsed loads

    Science.gov (United States)

    Wong, Derek N.

    The US Navy is actively developing all electric fleets, raising serious questions about what is required of onboard power supplies in order to properly power the ship's electrical systems. This is especially relevant when choosing a viable power source to drive high power propulsion and electric weapon systems in addition to the conventional loads deployed aboard these types of vessels. Especially when high pulsed power loads are supplied, the issue of maintaining power quality becomes important and increasingly complex. Conventionally, a vessel's electrical power is generated using gas turbine or diesel driven motor-generator sets that are very inefficient when they are used outside of their most efficient load condition. What this means is that if the generator is not being utilized continuously at its most efficient load capacity, the quality of the output power may also be effected and fall outside of the acceptable power quality limits imposed through military standards. As a solution to this potential problem, the Navy has proposed using electrochemical storage devices since they are able to buffer conventional generators when the load is operating below the generator's most efficient power level or able to efficiently augment a generator when the load is operating in excess of the generator's most efficient power rating. Specifically, the US Navy is interested in using commercial off-the-shelf (COTS) lithium-ion batteries within an intelligently controlled energy storage module that could act as either a prime power supply for on-board pulsed power systems or as a backup generator to other shipboard power systems. Due to the unique load profile of high-rate pulsed power systems, the implementation of lithium-ion batteries within these complex systems requires them to be operated at very high rates and the effects these things have on cell degradation has been an area of focus. There is very little published research into the effects that high power transient

  20. High Resolution Melt (HRM) analysis is an efficient tool to genotype EMS mutants in complex crop genomes.

    Science.gov (United States)

    Lochlainn, Seosamh Ó; Amoah, Stephen; Graham, Neil S; Alamer, Khalid; Rios, Juan J; Kurup, Smita; Stoute, Andrew; Hammond, John P; Østergaard, Lars; King, Graham J; White, Phillip J; Broadley, Martin R

    2011-12-08

    Targeted Induced Loci Lesions IN Genomes (TILLING) is increasingly being used to generate and identify mutations in target genes of crop genomes. TILLING populations of several thousand lines have been generated in a number of crop species including Brassica rapa. Genetic analysis of mutants identified by TILLING requires an efficient, high-throughput and cost effective genotyping method to track the mutations through numerous generations. High resolution melt (HRM) analysis has been used in a number of systems to identify single nucleotide polymorphisms (SNPs) and insertion/deletions (IN/DELs) enabling the genotyping of different types of samples. HRM is ideally suited to high-throughput genotyping of multiple TILLING mutants in complex crop genomes. To date it has been used to identify mutants and genotype single mutations. The aim of this study was to determine if HRM can facilitate downstream analysis of multiple mutant lines identified by TILLING in order to characterise allelic series of EMS induced mutations in target genes across a number of generations in complex crop genomes. We demonstrate that HRM can be used to genotype allelic series of mutations in two genes, BraA.CAX1a and BraA.MET1.a in Brassica rapa. We analysed 12 mutations in BraA.CAX1.a and five in BraA.MET1.a over two generations including a back-cross to the wild-type. Using a commercially available HRM kit and the Lightscanner™ system we were able to detect mutations in heterozygous and homozygous states for both genes. Using HRM genotyping on TILLING derived mutants, it is possible to generate an allelic series of mutations within multiple target genes rapidly. Lines suitable for phenotypic analysis can be isolated approximately 8-9 months (3 generations) from receiving M3 seed of Brassica rapa from the RevGenUK TILLING service.

  1. High Resolution Melt (HRM analysis is an efficient tool to genotype EMS mutants in complex crop genomes

    Directory of Open Access Journals (Sweden)

    Lochlainn Seosamh Ó

    2011-12-01

    Full Text Available Abstract Background Targeted Induced Loci Lesions IN Genomes (TILLING is increasingly being used to generate and identify mutations in target genes of crop genomes. TILLING populations of several thousand lines have been generated in a number of crop species including Brassica rapa. Genetic analysis of mutants identified by TILLING requires an efficient, high-throughput and cost effective genotyping method to track the mutations through numerous generations. High resolution melt (HRM analysis has been used in a number of systems to identify single nucleotide polymorphisms (SNPs and insertion/deletions (IN/DELs enabling the genotyping of different types of samples. HRM is ideally suited to high-throughput genotyping of multiple TILLING mutants in complex crop genomes. To date it has been used to identify mutants and genotype single mutations. The aim of this study was to determine if HRM can facilitate downstream analysis of multiple mutant lines identified by TILLING in order to characterise allelic series of EMS induced mutations in target genes across a number of generations in complex crop genomes. Results We demonstrate that HRM can be used to genotype allelic series of mutations in two genes, BraA.CAX1a and BraA.MET1.a in Brassica rapa. We analysed 12 mutations in BraA.CAX1.a and five in BraA.MET1.a over two generations including a back-cross to the wild-type. Using a commercially available HRM kit and the Lightscanner™ system we were able to detect mutations in heterozygous and homozygous states for both genes. Conclusions Using HRM genotyping on TILLING derived mutants, it is possible to generate an allelic series of mutations within multiple target genes rapidly. Lines suitable for phenotypic analysis can be isolated approximately 8-9 months (3 generations from receiving M3 seed of Brassica rapa from the RevGenUK TILLING service.

  2. High-efficiency and heavily doped organic light-emitting devices based on quench-resistant red iridium complex

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qi [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054 (China); Yu, Junsheng, E-mail: jsyu@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054 (China); Zhao, Juan; Wang, Jun [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054 (China); Li, Ming [College of Chemistry, Sichuan University, Chengdu 610064 (China); Lu, Zhiyun, E-mail: luzhiyun@scu.edu.cn [College of Chemistry, Sichuan University, Chengdu 610064 (China)

    2013-02-15

    Highly efficient red phosphorescent organic light-emitting devices had been fabricated using a new iridium complex, bis[2-(9,9-dimethyl-9H-fluoren-2-yl) benzothiazolato-N,C{sup 2'}]iridium(III) (acetylacetonate) [(fbt){sub 2}Ir(acac)] as phosphor. With a high doping concentration of 15 wt%, the device exhibited a maximum luminance efficiency, power efficiency and external quantum efficiency (EQE) of 35.2 cd/A, 21.3 lm/W, 18.2%, respectively, indicating an excellent quench-resistant property of (fbt){sub 2}Ir(acac). The results are appealing towards the development of 'easy-to-make' OLEDs. It has been demonstrated that the high efficiency arises from more balanced charge carriers in the emissive layer. - Highlight: Black-Right-Pointing-Pointer We obtained efficient OLEDs based on newly synthesized quench-resistant phosphor. Black-Right-Pointing-Pointer Peak performance was obtained with 15 wt% (fbt){sub 2}Ir(acac) doped device. Black-Right-Pointing-Pointer Our devices gave one of the best performance among heavily-doped red devices. Black-Right-Pointing-Pointer Balanced carrier transport is crucial for the high performance of our devices.

  3. Dimeric DNA Aptamer Complexes for High-capacity–targeted Drug Delivery Using pH-sensitive Covalent Linkages

    Directory of Open Access Journals (Sweden)

    Olcay Boyacioglu

    2013-01-01

    Full Text Available Treatment with doxorubicin (Dox results in serious systemic toxicities that limit effectiveness for cancer treatment and cause long-term health issues for cancer patients. We identified a new DNA aptamer to prostate-specific membrane antigen (PSMA using fixed sequences to promote Dox binding and developed dimeric aptamer complexes (DACs for specific delivery of Dox to PSMA+ cancer cells. DACs are stable under physiological conditions and are internalized specifically into PSMA+ C4-2 cells with minimal uptake into PSMA-null PC3 cells. Cellular internalization of DAC was demonstrated by confocal microscopy and flow cytometry. Covalent modification of DAC with Dox (DAC-D resulted in a complex with stoichiometry ~4:1. Dox was covalently bound in DAC-D using a reversible linker that promotes covalent attachment of Dox to genomic DNA following cell internalization. Dox was released from the DAC-D under physiological conditions with a half-life of 8 hours, sufficient for in vivo targeting. DAC-D was used to selectively deliver Dox to C4-2 cells with endosomal release and nuclear localization of Dox. DAC-D was selectively cytotoxic to C4-2 cells with similar cytotoxicity as the molar equivalent of free-Dox. In contrast, DAC-D displayed minimal cytotoxicity to PC3 cells, demonstrating the complex displays a high degree of selectivity for PSMA+ cells. DAC-D displays specificity and stability features that may be useful for improved delivery of Dox selectively to malignant tissue in vivo.

  4. Highly efficient energy transfer from a carbonyl carotenoid to chlorophyll a in the main light harvesting complex of Chromera velia.

    Science.gov (United States)

    Durchan, Milan; Keşan, Gürkan; Slouf, Václav; Fuciman, Marcel; Staleva, Hristina; Tichý, Josef; Litvín, Radek; Bína, David; Vácha, František; Polívka, Tomáš

    2014-10-01

    We report on energy transfer pathways in the main light-harvesting complex of photosynthetic relative of apicomplexan parasites, Chromera velia. This complex, denoted CLH, belongs to the family of FCP proteins and contains chlorophyll (Chl) a, violaxanthin, and the so far unidentified carbonyl carotenoid related to isofucoxanthin. The overall carotenoid-to-Chl-a energy transfer exhibits efficiency over 90% which is the largest among the FCP-like proteins studied so far. Three spectroscopically different isofucoxanthin-like molecules were identified in CLH, each having slightly different energy transfer efficiency that increases from isofucoxanthin-like molecules absorbing in the blue part of the spectrum to those absorbing in the reddest part of spectrum. Part of the energy transfer from carotenoids proceeds via the ultrafast S2 channel of both the violaxanthin and isofucoxanthin-like carotenoid, but major energy transfer pathway proceeds via the S1/ICT state of the isofucoxanthin-like carotenoid. Two S1/ICT-mediated channels characterized by time constants of ~0.5 and ~4ps were found. For the isofucoxanthin-like carotenoid excited at 480nm the slower channel dominates, while those excited at 540nm employs predominantly the fast 0.5ps channel. Comparing these data with the excited-state properties of the isofucoxanthin-like carotenoid in solution we conclude that, contrary to other members of the FCP family employing carbonyl carotenoids, CLH complex suppresses the charge transfer character of the S1/ICT state of the isofucoxanthin-like carotenoid to achieve the high carotenoid-to-Chl-a energy transfer efficiency. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. Synthesis of mixed-ligand cobalt complexes and their applications in high cis-1,4-selective butadiene polymerization

    KAUST Repository

    Liu, Wen

    2015-08-03

    Incomplete oxidation of (N-di-tert-butylphosphino)-6-(2-methyl-2’H-benzoimidazole)-2-aminepyridine dichlorocobalt (PN3CoCl2) in DMF results in a unique co-crystal I formed with three parts including DMF, unit A and unit B complex with Co1 and Co2, respectively, (PN3 ligand in unit A: (N-di-tert-butylphosphino)-6-(2’-methyl-2’H-benzoimidazole)-2-aminepyridine, and O=PN3 ligand in unit B: (N-di-tert-butylphosphinoxide)-6-(2’-methyl-2’H-benzoimidazole)-2-aminepyridine) with 1:1:1 molar ratio. Co1 and Co2 complexes both display a five-coordinated distorted-square-pyramidal geometry around the metal center. The Co1 center is coordinated with PN3 ligand via two N atoms from pyridine, benzoimidazole moiety as well as one P atom, and the Co2 center is coordinated with the oxidized ligandO=PN3 via two N atoms from pyridine, benzoimidazole moiety as well as one O atom from DMF molecule, while the oxidized phosphine moiety (O=P) being excluded from the coordination sphere. Activated with AlEt2Cl, the co-crystallized complexes I are able to actively convert butadiene to polybutadiene, affording cis-1,4 polybutadiene with cis-1,4 unit up to 95.5-97.8% and number average molecular weight of cal. 105g/mol. The high cis-1,4 selectivity and monomodal GPC curve of resultant polymer imply that the identical active species generated from two distinctive cobalt centers.

  6. Synthesis of mixed-ligand cobalt complexes and their applications in high cis-1,4-selective butadiene polymerization

    KAUST Repository

    Liu, Wen; Pan, Weijing; Wang, Peng; Li, Wei; Mu, Jingshan; Weng, Gengsheng; Jia, Xiaoyu; Gong, Dirong; Huang, Kuo-Wei

    2015-01-01

    Incomplete oxidation of (N-di-tert-butylphosphino)-6-(2-methyl-2’H-benzoimidazole)-2-aminepyridine dichlorocobalt (PN3CoCl2) in DMF results in a unique co-crystal I formed with three parts including DMF, unit A and unit B complex with Co1 and Co2, respectively, (PN3 ligand in unit A: (N-di-tert-butylphosphino)-6-(2’-methyl-2’H-benzoimidazole)-2-aminepyridine, and O=PN3 ligand in unit B: (N-di-tert-butylphosphinoxide)-6-(2’-methyl-2’H-benzoimidazole)-2-aminepyridine) with 1:1:1 molar ratio. Co1 and Co2 complexes both display a five-coordinated distorted-square-pyramidal geometry around the metal center. The Co1 center is coordinated with PN3 ligand via two N atoms from pyridine, benzoimidazole moiety as well as one P atom, and the Co2 center is coordinated with the oxidized ligandO=PN3 via two N atoms from pyridine, benzoimidazole moiety as well as one O atom from DMF molecule, while the oxidized phosphine moiety (O=P) being excluded from the coordination sphere. Activated with AlEt2Cl, the co-crystallized complexes I are able to actively convert butadiene to polybutadiene, affording cis-1,4 polybutadiene with cis-1,4 unit up to 95.5-97.8% and number average molecular weight of cal. 105g/mol. The high cis-1,4 selectivity and monomodal GPC curve of resultant polymer imply that the identical active species generated from two distinctive cobalt centers.

  7. Highly Effective Non-Viral Antitumor Gene Therapy System Comprised of Biocompatible Small Plasmid Complex Particles Consisting of pDNA, Anionic Polysaccharide, and Fully Deprotected Linear Polyethylenimine

    Directory of Open Access Journals (Sweden)

    Yoshiyuki Koyama

    2015-07-01

    Full Text Available We have reported that ternary complexes of plasmid DNA with conventional linear polyethylenimine (l-PEI and certain polyanions were very stably dispersed, and, with no cryoprotectant, they could be freeze-dried and re-hydrated without the loss of transfection ability. These properties enabled the preparation of a concentrated suspension of very small pDNA complex, by preparing the complexes at highly diluted conditions, followed by condensation via lyophilization-and-rehydration procedure. Recently, a high potency linear polyethylenimine having no residual protective groups, i.e., Polyethylenimine “Max” (PEI “Max”, is available, which has been reported to induce much higher gene expression than conventional l-PEI. We tried to prepare the small DNA/PEI “Max”/polyanion complexes by a similar freeze-drying method. Small complex particles could be obtained without apparent aggregation, but transfection activity of the rehydrated complexes was severely reduced. Complex-preparation conditions were investigated in details to achieve the freeze-dried DNA/PEI “Max”/polyanion small ternary complexes with high transfection efficiency. DNA/PEI “Max”/polyanion complexes containing cytokine-coding plasmids were then prepared, and their anti-tumor therapeutic efficacy was examined in tumor-bearing mice.

  8. Genetic and chemical diversity of high mucilaginous plants of Sida complex by ISSR markers and chemical fingerprinting.

    Science.gov (United States)

    Thul, Sanjog T; Srivastava, Ankit K; Singh, Subhash C; Shanker, Karuna

    2011-09-01

    A method was developed based on multiple approaches wherein DNA and chemical analysis was carried out toward differentiation of important species of Sida complex that is being used for commercial preparation. Isolated DNA samples were successfully performed through PCR amplification using ISSR markers and degree of genetic diversity among the different species of Sida is compared with that of chemical diversity. For genetic fingerprint investigation, selected 10 ISSR primers generating reproducible banding patterns were used. Among the total of 63 amplicons, 62 were recorded as polymorphic, genetic similarity index deduced from ISSR profiles ranged from 12 to 51%. Based on similarity index, S. acuta and S. rhombifolia found to be most similar (51%). High number of species-specific bands played pivotal role to delineate species at genetic level. Investigation based on HPTLC fingerprints analysis revealed 23 bands representing to characteristic chemicals and similarity index ranged from 73 to 91%. Prominent distinguishable bands were observed only in S. acuta, while S. cordifolia and S. rhombifolia shared most bands making them difficult to identify on chemical fingerprint basis. This report summarizes the genotypic and chemotypic diversity and the use of profiles for authentication of species of Sida complex.

  9. In silico, experimental, mechanistic model for extended-release felodipine disposition exhibiting complex absorption and a highly variable food interaction.

    Directory of Open Access Journals (Sweden)

    Sean H J Kim

    Full Text Available The objective of this study was to develop and explore new, in silico experimental methods for deciphering complex, highly variable absorption and food interaction pharmacokinetics observed for a modified-release drug product. Toward that aim, we constructed an executable software analog of study participants to whom product was administered orally. The analog is an object- and agent-oriented, discrete event system, which consists of grid spaces and event mechanisms that map abstractly to different physiological features and processes. Analog mechanisms were made sufficiently complicated to achieve prespecified similarity criteria. An equation-based gastrointestinal transit model with nonlinear mixed effects analysis provided a standard for comparison. Subject-specific parameterizations enabled each executed analog's plasma profile to mimic features of the corresponding six individual pairs of subject plasma profiles. All achieved prespecified, quantitative similarity criteria, and outperformed the gastrointestinal transit model estimations. We observed important subject-specific interactions within the simulation and mechanistic differences between the two models. We hypothesize that mechanisms, events, and their causes occurring during simulations had counterparts within the food interaction study: they are working, evolvable, concrete theories of dynamic interactions occurring within individual subjects. The approach presented provides new, experimental strategies for unraveling the mechanistic basis of complex pharmacological interactions and observed variability.

  10. Carbon-Based Oxamate Cobalt(III) Complexes as Bioenzyme Mimics for Contaminant Elimination in High Backgrounds of Complicated Constituents.

    Science.gov (United States)

    Li, Nan; Zheng, Yun; Jiang, Xuemei; Zhang, Ran; Pei, Kemei; Chen, Wenxing

    2017-10-12

    Complex wastewater with massive components is now a serious environmental issue facing humanity. Selective removal of low-concentration contaminants in mixed constituents holds great promise for increasing water supplies. Bioenzymes like horseradish peroxidase exhibit oxidizing power and selectivity. Here, we manufactured its mimic through immobilizing non-heme oxamate anionic cobalt(III) complex ([Co III (opba)] - , opba = o-phenylenebis(oxamate)) onto pyridine (Py) modified multiwalled carbon nanotubes ([Co III (opba)] - -Py-MWCNTs, MWCNTs = multiwalled carbon nanotubes), where MWCNTs captured substrates and Py functioned as the fifth ligand. We chose typical azo dye (C.I. Acid Red 1) and antibiotic (ciprofloxacin) as model substrates. Without •OH, this catalyst could detoxify target micropollutants efficiently at pH from 8 to 11. It also remained efficient in repetitive tests, and the final products were non-poisonous OH-containing acids. Combined with radical scavenger tests and electron paramagnetic resonance result, we speculated that high-valent cobalt-oxo active species and oxygen atom transfer reaction dominated in the reaction pathway. According to density functional theory calculations, the electron spin density distribution order showed that electron-withdrawing ligand was beneficial for inward pulling the excess electron and lowering the corresponding energy levels, achieving an electrophilic-attack enhancement of the catalyst. With target removal property and recyclability, this catalyst is prospective in water detoxication.

  11. Case Study of High-Dose Ketamine for Treatment of Complex Regional Pain Syndrome in the Pediatric Intensive Care Unit.

    Science.gov (United States)

    Pasek, Tracy Ann; Crowley, Kelli; Campese, Catherine; Lauer, Rachel; Yang, Charles

    2017-06-01

    Complex regional pain syndrome (CRPS) is a life-altering and debilitating chronic pain condition. The authors are presenting a case study of a female who received high-dose ketamine for the management of her CRPS. The innovative treatment lies not only within the pharmacologic management of her pain, but also in the fact that she was the first patient to be admitted to our pediatric intensive care unit solely for pain control. The primary component of the pharmacotherapy treatment strategy plan was escalating-dose ketamine infusion via patient-controlled-analgesia approved by the pharmacy and therapeutics committee guided therapy for this patient. The expertise of advanced practice nurses blended exquisitely to ensure patient and family-centered care and the coordination of care across the illness trajectory. The patient experienced positive outcomes. Copyright © 2017 Elsevier Inc. All rights reserved.

  12. Solid-Phase Extraction Strategies to Surmount Body Fluid Sample Complexity in High-Throughput Mass Spectrometry-Based Proteomics

    Science.gov (United States)

    Bladergroen, Marco R.; van der Burgt, Yuri E. M.

    2015-01-01

    For large-scale and standardized applications in mass spectrometry- (MS-) based proteomics automation of each step is essential. Here we present high-throughput sample preparation solutions for balancing the speed of current MS-acquisitions and the time needed for analytical workup of body fluids. The discussed workflows reduce body fluid sample complexity and apply for both bottom-up proteomics experiments and top-down protein characterization approaches. Various sample preparation methods that involve solid-phase extraction (SPE) including affinity enrichment strategies have been automated. Obtained peptide and protein fractions can be mass analyzed by direct infusion into an electrospray ionization (ESI) source or by means of matrix-assisted laser desorption ionization (MALDI) without further need of time-consuming liquid chromatography (LC) separations. PMID:25692071

  13. Immersed boundary methods for high-resolution simulation of atmospheric boundary-layer flow over complex terrain

    Science.gov (United States)

    Lundquist, Katherine Ann

    Mesoscale models, such as the Weather Research and Forecasting (WRF) model, are increasingly used for high resolution simulations, particularly in complex terrain, but errors associated with terrain-following coordinates degrade the accuracy of the solution. Use of an alternative Cartesian gridding technique, known as an immersed boundary method (IBM), alleviates coordinate transformation errors and eliminates restrictions on terrain slope which currently limit mesoscale models to slowly varying terrain. In this dissertation, an immersed boundary method is developed for use in numerical weather prediction. Use of the method facilitates explicit resolution of complex terrain, even urban terrain, in the WRF mesoscale model. First, the errors that arise in the WRF model when complex terrain is present are presented. This is accomplished using a scalar advection test case, and comparing the numerical solution to the analytical solution. Results are presented for different orders of advection schemes, grid resolutions and aspect ratios, as well as various degrees of terrain slope. For comparison, results from the same simulation are presented using the IBM. Both two-dimensional and three-dimensional immersed boundary methods are then described, along with details that are specific to the implementation of IBM in the WRF code. Our IBM is capable of imposing both Dirichlet and Neumann boundary conditions. Additionally, a method for coupling atmospheric physics parameterizations at the immersed boundary is presented, making IB methods much more functional in the context of numerical weather prediction models. The two-dimensional IB method is verified through comparisons of solutions for gentle terrain slopes when using IBM and terrain-following grids. The canonical case of flow over a Witch of Agnesi hill provides validation of the basic no-slip and zero gradient boundary conditions. Specified diurnal heating in a valley, producing anabatic winds, is used to validate the

  14. Immersed Boundary Methods for High-Resolution Simulation of Atmospheric Boundary-Layer Flow Over Complex Terrain

    Energy Technology Data Exchange (ETDEWEB)

    Lundquist, K A [Univ. of California, Berkeley, CA (United States)

    2010-05-12

    Mesoscale models, such as the Weather Research and Forecasting (WRF) model, are increasingly used for high resolution simulations, particularly in complex terrain, but errors associated with terrain-following coordinates degrade the accuracy of the solution. Use of an alternative Cartesian gridding technique, known as an immersed boundary method (IBM), alleviates coordinate transformation errors and eliminates restrictions on terrain slope which currently limit mesoscale models to slowly varying terrain. In this dissertation, an immersed boundary method is developed for use in numerical weather prediction. Use of the method facilitates explicit resolution of complex terrain, even urban terrain, in the WRF mesoscale model. First, the errors that arise in the WRF model when complex terrain is present are presented. This is accomplished using a scalar advection test case, and comparing the numerical solution to the analytical solution. Results are presented for different orders of advection schemes, grid resolutions and aspect ratios, as well as various degrees of terrain slope. For comparison, results from the same simulation are presented using the IBM. Both two-dimensional and three-dimensional immersed boundary methods are then described, along with details that are specific to the implementation of IBM in the WRF code. Our IBM is capable of imposing both Dirichlet and Neumann boundary conditions. Additionally, a method for coupling atmospheric physics parameterizations at the immersed boundary is presented, making IB methods much more functional in the context of numerical weather prediction models. The two-dimensional IB method is verified through comparisons of solutions for gentle terrain slopes when using IBM and terrain-following grids. The canonical case of flow over a Witch of Agnesi hill provides validation of the basic no-slip and zero gradient boundary conditions. Specified diurnal heating in a valley, producing anabatic winds, is used to validate the

  15. Highly efficient and stable cyclometalated ruthenium(II) complexes as sensitizers for dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Huang, Jian-Feng; Liu, Jun-Min; Su, Pei-Yang; Chen, Yi-Fan; Shen, Yong; Xiao, Li-Min; Kuang, Dai-Bin; Su, Cheng-Yong

    2015-01-01

    Highlights: • Four novel thiocyanate-free cyclometalated ruthenium sensitizer were conveniently synthesized. • The D-CF 3 -sensitized DSSCs show higher efficiency compared to N719 based cells. • The DSSCs based on D-CF 3 and D-bisCF 3 sensitizers exhibit excellent long-term stability. • The diverse cyclometalated Ru complexes can be developed as high-performance sensitizers for use in DSSC. - Abstract: Four novel thiocyanate-free cyclometallted Ru(II) complexes, D-bisCF 3 , D-CF 3 , D-OMe, and D-DPA, with two 4,4′-dicarboxylic acid-2,2′-bipyridine together with a functionalized phenylpyridine ancillary ligand, have been designed and synthesized. The effect of different substituents (R = bisCF 3 , CF 3 , OMe, and DPA) on the ancillary C^N ligand on the photophysical properties and photovoltaic performance is investigated. Under standard global AM 1.5 solar conditions, the device based on D-CF 3 sensitizer gives a higher conversion efficiency of 8.74% than those based on D-bisCF 3 , D-OMe, and D-DPA, which can be ascribed to its broad range of visible light absorption, appropriate localization of the frontier orbitals, weak hydrogen bonds between -CF 3 and -OH groups at the TiO 2 surface, moderate dye loading on TiO 2 , and high charge collection efficiency. Moreover, the D-bisCF 3 and D-CF 3 based DSSCs exhibit good stability under 100 mW cm −2 light soaking at 60 °C for 400 h

  16. Highly efficient and heavily-doped organic light-emitting devices based on an orange phosphorescent iridium complex

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Shunliang; Wang, Qi [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China (UESTC), Chengdu 610054 (China); Li, Ming [College of Chemistry, Sichuan University, Chengdu, 610064 (China); Lu, Zhiyun, E-mail: luzhiyun@scu.edu.cn [College of Chemistry, Sichuan University, Chengdu, 610064 (China); Yu, Junsheng, E-mail: jsyu@uestc.edu.cn [State Key Laboratory of Electronic Thin Films and Integrated Devices, School of Optoelectronic Information, University of Electronic Science and Technology of China (UESTC), Chengdu 610054 (China)

    2014-10-15

    Heavily doped and highly efficient phosphorescent organic light-emitting devices (PhOLEDs) had been fabricated by utilizing an orange iridium complex, bis[2-(3′,5′-di-tert-butylbiphenyl-4-yl)benzothiazolato-N,C{sup 2'}]iridium(III) (acetylacetonate) [(tbpbt){sub 2}Ir(acac)], as a phosphor. When the doping concentration of [(tbpbt){sub 2}Ir(acac)] reached as high as 15 wt%, the PhOLEDs exhibited a power efficiency, current efficiency, and external quantum efficiency of 24.5 lm/W, 32.1 cd/A, 15.7%, respectively, implying a promising quenching-resistant characteristics of this novel phosphor. Furthermore, the efficient white PhOLEDs had been obtained by employing (tbpbt){sub 2}Ir(acac) as a self-host orange emitter, indicating that (tbpbt){sub 2}Ir(acac) could serve as a promising phosphor to fabricate white organic light-emitting devices with simplified manufacturing process. - Highlights: • Efficient phosphorescent devices were fabricated. • Optimized phosphor doping ratio reached as high as 15 wt%. • The results proved a promising quench-resistant property of the phosphor. • Efficient white devices based on this phosphor as self-host layer had been realized.

  17. High-resolution 3-T MRI of the triangular fibrocartilage complex in the wrist: injury pattern and MR features

    Energy Technology Data Exchange (ETDEWEB)

    Zhan, Huili; Liu, Yue; Zhang, Heng [Peking University Fourth School of Clinical Medicine, Department of Radiology, Beijing (China); Zhang, Huibo [Beijing Chaoyang Hospital of Capital Medical University, Department of Radiology, Beijing (China); Bai, Rongjie; Qian, Zhanhua [Peking University Fourth School of Clinical Medicine, Department of Radiology, Beijing (China); Beijing Institute of Traumatology and Orthopedics, Department of Radiology, Beijing Jishuitan Hospital, Beijing (China); Yin, Yuming [Radiology Associates, LLP, Corpus Christi, TX (United States)

    2017-12-15

    To investigate if using high-resolution 3-T MRI can identify additional injuries of the triangular fibrocartilage complex (TFCC) beyond the Palmer classification. Eighty-six patients with surgically proven TFCC injury were included in this study. All patients underwent high-resolution 3-T MRI of the injured wrist. The MR imaging features of TFCC were analyzed according to the Palmer classification. According to the Palmer classification, 69 patients could be classified as having Palmer injuries (52 had traumatic tears and 17 had degenerative tears). There were 17 patients whose injuries could not be classified according to the Palmer classification: 13 had volar or dorsal capsular TFC detachment and 4 had a horizontal tear of the articular disk. Using high-resolution 3-T MRI, we have not only found all the TFCC injuries described in the Palmer classification, additional injury types were found in this study, including horizontal tear of the TFC and capsular TFC detachment. We propose the modified Palmer classification and add the injury types that were not included in the original Palmer classification. (orig.)

  18. Highly efficient and heavily-doped organic light-emitting devices based on an orange phosphorescent iridium complex

    International Nuclear Information System (INIS)

    Zhou, Shunliang; Wang, Qi; Li, Ming; Lu, Zhiyun; Yu, Junsheng

    2014-01-01

    Heavily doped and highly efficient phosphorescent organic light-emitting devices (PhOLEDs) had been fabricated by utilizing an orange iridium complex, bis[2-(3′,5′-di-tert-butylbiphenyl-4-yl)benzothiazolato-N,C 2' ]iridium(III) (acetylacetonate) [(tbpbt) 2 Ir(acac)], as a phosphor. When the doping concentration of [(tbpbt) 2 Ir(acac)] reached as high as 15 wt%, the PhOLEDs exhibited a power efficiency, current efficiency, and external quantum efficiency of 24.5 lm/W, 32.1 cd/A, 15.7%, respectively, implying a promising quenching-resistant characteristics of this novel phosphor. Furthermore, the efficient white PhOLEDs had been obtained by employing (tbpbt) 2 Ir(acac) as a self-host orange emitter, indicating that (tbpbt) 2 Ir(acac) could serve as a promising phosphor to fabricate white organic light-emitting devices with simplified manufacturing process. - Highlights: • Efficient phosphorescent devices were fabricated. • Optimized phosphor doping ratio reached as high as 15 wt%. • The results proved a promising quench-resistant property of the phosphor. • Efficient white devices based on this phosphor as self-host layer had been realized

  19. Highly efficient DNA-free gene disruption in the agricultural pest Ceratitis capitata by CRISPR-Cas9 ribonucleoprotein complexes.

    Science.gov (United States)

    Meccariello, Angela; Monti, Simona Maria; Romanelli, Alessandra; Colonna, Rita; Primo, Pasquale; Inghilterra, Maria Grazia; Del Corsano, Giuseppe; Ramaglia, Antonio; Iazzetti, Giovanni; Chiarore, Antonia; Patti, Francesco; Heinze, Svenia D; Salvemini, Marco; Lindsay, Helen; Chiavacci, Elena; Burger, Alexa; Robinson, Mark D; Mosimann, Christian; Bopp, Daniel; Saccone, Giuseppe

    2017-08-30

    The Mediterranean fruitfly Ceratitis capitata (medfly) is an invasive agricultural pest of high economic impact and has become an emerging model for developing new genetic control strategies as an alternative to insecticides. Here, we report the successful adaptation of CRISPR-Cas9-based gene disruption in the medfly by injecting in vitro pre-assembled, solubilized Cas9 ribonucleoprotein complexes (RNPs) loaded with gene-specific single guide RNAs (sgRNA) into early embryos. When targeting the eye pigmentation gene white eye (we), a high rate of somatic mosaicism in surviving G0 adults was observed. Germline transmission rate of mutated we alleles by G0 animals was on average above 52%, with individual cases achieving nearly 100%. We further recovered large deletions in the we gene when two sites were simultaneously targeted by two sgRNAs. CRISPR-Cas9 targeting of the Ceratitis ortholog of the Drosophila segmentation paired gene (Ccprd) caused segmental malformations in late embryos and in hatched larvae. Mutant phenotypes correlate with repair by non-homologous end-joining (NHEJ) lesions in the two targeted genes. This simple and highly effective Cas9 RNP-based gene editing to introduce mutations in C. capitata will significantly advance the design and development of new effective strategies for pest control management.

  20. High-resolution 3-T MRI of the triangular fibrocartilage complex in the wrist: injury pattern and MR features

    International Nuclear Information System (INIS)

    Zhan, Huili; Liu, Yue; Zhang, Heng; Zhang, Huibo; Bai, Rongjie; Qian, Zhanhua; Yin, Yuming

    2017-01-01

    To investigate if using high-resolution 3-T MRI can identify additional injuries of the triangular fibrocartilage complex (TFCC) beyond the Palmer classification. Eighty-six patients with surgically proven TFCC injury were included in this study. All patients underwent high-resolution 3-T MRI of the injured wrist. The MR imaging features of TFCC were analyzed according to the Palmer classification. According to the Palmer classification, 69 patients could be classified as having Palmer injuries (52 had traumatic tears and 17 had degenerative tears). There were 17 patients whose injuries could not be classified according to the Palmer classification: 13 had volar or dorsal capsular TFC detachment and 4 had a horizontal tear of the articular disk. Using high-resolution 3-T MRI, we have not only found all the TFCC injuries described in the Palmer classification, additional injury types were found in this study, including horizontal tear of the TFC and capsular TFC detachment. We propose the modified Palmer classification and add the injury types that were not included in the original Palmer classification. (orig.)

  1. High-resolution 3-T MRI of the triangular fibrocartilage complex in the wrist: injury pattern and MR features.

    Science.gov (United States)

    Zhan, Huili; Zhang, Huibo; Bai, Rongjie; Qian, Zhanhua; Liu, Yue; Zhang, Heng; Yin, Yuming

    2017-12-01

    To investigate if using high-resolution 3-T MRI can identify additional injuries of the triangular fibrocartilage complex (TFCC) beyond the Palmer classification. Eighty-six patients with surgically proven TFCC injury were included in this study. All patients underwent high-resolution 3-T MRI of the injured wrist. The MR imaging features of TFCC were analyzed according to the Palmer classification. According to the Palmer classification, 69 patients could be classified as having Palmer injuries (52 had traumatic tears and 17 had degenerative tears). There were 17 patients whose injuries could not be classified according to the Palmer classification: 13 had volar or dorsal capsular TFC detachment and 4 had a horizontal tear of the articular disk. Using high-resolution 3-T MRI, we have not only found all the TFCC injuries described in the Palmer classification, additional injury types were found in this study, including horizontal tear of the TFC and capsular TFC detachment. We propose the modified Palmer classification and add the injury types that were not included in the original Palmer classification.

  2. Progress Toward Affordable High Fidelity Combustion Simulations Using Filtered Density Functions for Hypersonic Flows in Complex Geometries

    Science.gov (United States)

    Drozda, Tomasz G.; Quinlan, Jesse R.; Pisciuneri, Patrick H.; Yilmaz, S. Levent

    2012-01-01

    Significant progress has been made in the development of subgrid scale (SGS) closures based on a filtered density function (FDF) for large eddy simulations (LES) of turbulent reacting flows. The FDF is the counterpart of the probability density function (PDF) method, which has proven effective in Reynolds averaged simulations (RAS). However, while systematic progress is being made advancing the FDF models for relatively simple flows and lab-scale flames, the application of these methods in complex geometries and high speed, wall-bounded flows with shocks remains a challenge. The key difficulties are the significant computational cost associated with solving the FDF transport equation and numerically stiff finite rate chemistry. For LES/FDF methods to make a more significant impact in practical applications a pragmatic approach must be taken that significantly reduces the computational cost while maintaining high modeling fidelity. An example of one such ongoing effort is at the NASA Langley Research Center, where the first generation FDF models, namely the scalar filtered mass density function (SFMDF) are being implemented into VULCAN, a production-quality RAS and LES solver widely used for design of high speed propulsion flowpaths. This effort leverages internal and external collaborations to reduce the overall computational cost of high fidelity simulations in VULCAN by: implementing high order methods that allow reduction in the total number of computational cells without loss in accuracy; implementing first generation of high fidelity scalar PDF/FDF models applicable to high-speed compressible flows; coupling RAS/PDF and LES/FDF into a hybrid framework to efficiently and accurately model the effects of combustion in the vicinity of the walls; developing efficient Lagrangian particle tracking algorithms to support robust solutions of the FDF equations for high speed flows; and utilizing finite rate chemistry parametrization, such as flamelet models, to reduce

  3. Research on the co-movement between high-end talent and economic growth: A complex network approach

    Science.gov (United States)

    Zhang, Zhen; Wang, Minggang; Xu, Hua; Zhang, Wenbin; Tian, Lixin

    2018-02-01

    The major goal of this paper is to focus on the co-movement between high-end talent and economic growth by a complex network approach. Firstly, the national high-end talent development efficiency from 1990 to 2015 is taken as the quantitative index to measure the development of high-end talent. The added values of the primary industry, secondary industry, tertiary industry are selected as economic growth indexes, and all the selected sample data are standardized by the mean value processing method. Secondly, let seven months as the length of the sliding window, and one month as the sliding step, then the grey correlation degrees between systems are measured using the slope correlation degrees, and the grey correlation degree sequence is mapped into the symbol series composed by three symbols { Y , O , N } based on the coarse graining method. Let three characters as a mode, the nodes are obtained by the modes according to the time sequence. Let the transformation between the modal be the edge, and the times of the transformation be weight, then the co-movement networks between national high-end talent development efficiency and the added values of the primary industry, secondary industry, tertiary industry are built respectively. Finally, the dynamic characteristics of the networks are analysed by the node strength, strength distribution, weighted clustering coefficient, conversion cycle of the modes and the transition between the co-movement modes. The results indicate that there are mutual influence and promotion relations between the national high-end talent development efficiency and the added values of the primary, secondary and tertiary industry.

  4. High-pressure synthesis of CuBa2Ca3Cu4O10+δ superconductor from precursors prepared by a polymerized complex method

    International Nuclear Information System (INIS)

    Aoba, Tomoya; Bizen, Takeshi; Suzuki, Tsuneo; Nakayama, Tadachika; Suematsu, Hisayuki; Niihara, Koichi; Katsumata, Tetsuhiro; Inaguma, Yoshiyuki

    2011-01-01

    Samples of a CuBa 2 Ca 3 Cu 4 O 10+ δ superconductor were synthesized under a high pressure of 5 GPa at 1100-1200degC for 30 min using precursors produced by solid-state reaction and polymerized complex methods. Compared with the precursors prepared by the solid-state reaction method, the precursors produced by the polymerized complex method have low grain sizes. The superconductive transition temperature of the samples prepared using precursors made by the polymerized complex method was found to be 113 K. The volume fractions of the superconducting phase in the samples prepared using precursors made by the solid-state reaction and polymerized complex methods were 49 and 36%, respectively. From these results, precursors made by the polymerized complex method can be used in the high-pressure synthesis of superconductors similarly to those made by the solid-state reaction method. (author)

  5. High-Temperature Tensile Strength of Al10Co25Cr8Fe15Ni36Ti6 Compositionally Complex Alloy (High-Entropy Alloy)

    Science.gov (United States)

    Daoud, H. M.; Manzoni, A. M.; Wanderka, N.; Glatzel, U.

    2015-06-01

    Homogenizing at 1220°C for 20 h and subsequent aging at 900°C for 5 h and 50 h of a novel Al10Co25Cr8Fe15Ni36Ti6 compositionally complex alloy (high-entropy alloy) produces a microstructure consisting of an L12 ordered γ' phase embedded in a face-centered cubic solid-solution γ matrix together with needle-like B2 precipitates (NiAl). The volume fraction of γ' phase is ~46% and of needle-like B2 precipitates database; Thermo-Calc Software, Stockholm, Sweden). The high-temperature tensile tests were carried out at room temperature, 600°C, 700°C, 800°C, and 1000°C. The tensile strength as well as the elongation to failure of both heat-treated specimens is very high at all tested temperatures. The values of tensile strength has been compared with literature data of well-known Alloy 800H and Inconel 617, and is discussed in terms of the observed microstructure.

  6. Stability of integral membrane proteins under high hydrostatic pressure: the LH2 and LH3 antenna pigment-protein complexes from photosynthetic bacteria.

    Science.gov (United States)

    Kangur, Liina; Timpmann, Kõu; Freiberg, Arvi

    2008-07-03

    The bacteriochlorophyll a-containing LH2 and LH3 antenna complexes are the integral membrane proteins that catalyze the photosynthetic process in purple photosynthetic bacteria. The LH2 complex from Rhodobacter sphaeroides shows characteristic strong absorbance at 800 and 850 nm due to the pigment molecules confined in two separate areas of the protein. In the LH3 complex from Rhodopesudomonas acidophila the corresponding bands peak at 800 and 820 nm. Using the bacteriochlorophyll a cofactors as intrinsic probes to monitor local changes in the protein structure, we investigate spectral responses of the antenna complexes to very high hydrostatic pressures up to 2.5 GPa when embedded into natural membrane environment or extracted with detergent. We first demonstrate that high pressure does induce significant alterations to the tertiary structure of the proteins not only in proximity of the 800 nm-absorbing bacteriochlorophyll a molecules known previously (Gall, A.; et al. Biochemistry 2003, 42, 13019) but also of the 850 nm- and 820 nm-absorbing molecules, including breakage of the hydrogen bond they are involved in. The membrane-protected complexes appear more resilient to damaging effects of the compression compared with the complexes extracted into mixed detergent-buffer environment. Increased resistance of the isolated complexes is observed at high protein concentration resulting aggregation as well as when cosolvent (glycerol) is added into the solution. These stability variations correlate with ability of penetration of the surrounding polar solvent (water) into the hydrophobic protein interiors, being thus the principal reason of the pressure-induced denaturation of the proteins. Considerable variability of elastic properties of the isolated complexes was also observed, tentatively assigned to heterogeneous protein packing in detergent micelles. While a number of the isolated complexes release most of their bacteriochlorophyll a content under high pressure

  7. The Crystal Structure of a High-Spin Oxoiron(IV) Complex and Characterization of Its Self-Decay Pathway

    Energy Technology Data Exchange (ETDEWEB)

    England, J.; Guo, Y; Farquhar, E; Young, Jr., V; Münck, E; Que, Jr., L

    2010-01-01

    [Fe{sup IV}(O)(TMG{sub 3}tren)]{sup 2+} (1; TMG{sub 3}tren = 1,1,1-tris{l_brace}2-[N{sup 2}-(1,1,3,3-tetramethylguanidino)]ethyl{r_brace}amine) is a unique example of an isolable synthetic S = 2 oxoiron(IV) complex, which serves as a model for the high-valent oxoiron(IV) intermediates observed in nonheme iron enzymes. Congruent with DFT calculations predicting a more reactive S = 2 oxoiron(IV) center, 1 has a lifetime significantly shorter than those of related S = 1 oxoiron(IV) complexes. The self-decay of 1 exhibits strictly first-order kinetic behavior and is unaffected by solvent deuteration, suggesting an intramolecular process. This hypothesis was supported by ESI-MS analysis of the iron products and a significant retardation of self-decay upon use of a perdeuteromethyl TMG{sub 3}tren isotopomer, d{sub 36}-1 (KIE = 24 at 25 C). The greatly enhanced thermal stability of d{sub 36}-1 allowed growth of diffraction quality crystals for which a high-resolution crystal structure was obtained. This structure showed an Fe=O unit (r = 1.661(2) {angstrom}) in the intended trigonal bipyramidal geometry enforced by the sterically bulky tetramethylguanidinyl donors of the tetradentate tripodal TMG{sub 3}tren ligand. The close proximity of the methyl substituents to the oxoiron unit yielded three symmetrically oriented short C-D {hor_ellipsis} O nonbonded contacts (2.38-2.49 {angstrom}), an arrangement that facilitated self-decay by rate-determining intramolecular hydrogen atom abstraction and subsequent formation of a ligand-hydroxylated iron(III) product. EPR and Moessbauer quantification of the various iron products, referenced against those obtained from reaction of 1 with 1,4-cyclohexadiene, allowed formulation of a detailed mechanism for the self-decay process. The solution of this first crystal structure of a high-spin (S = 2) oxoiron(IV) center represents a fundamental step on the path toward a full understanding of these pivotal biological intermediates.

  8. Coupling Analysis of Low-Speed Multiphase Flow and High-Frequency Electromagnetic Field in a Complex Pipeline Structure

    Directory of Open Access Journals (Sweden)

    Xiaokai Huo

    2014-01-01

    Full Text Available Accurate estimation of water content in an oil-water mixture is a key technology in oil exploration and production. Based on the principles of the microwave transmission line (MTL, the logging probe is an important water content measuring apparatus. However, the effects of mixed fluid flow on the measurement of electromagnetic field parameters are rarely considered. This study presents the coupling model for low-speed multiphase flow and high-frequency electromagnetic field in a complex pipeline structure. We derived the S-parameter equations for the stratified oil/water flow model. The corresponding relationship between the S-parameters and water holdup is established. Evident coupling effects of the fluid flow and the electromagnetic field are confirmed by comparing the calculated S-parameters for both stratified and homogeneous flow patterns. In addition, a multiple-solution problem is analyzed for the inversion of dielectric constant from the S-parameters. The most sensitive phase angle range is determined to improve the detection of variation in the dielectric constant. Suggestions are proposed based on the influence of the oil/water layer on measurement sensitivity to optimize the geometric parameters of a device structure. The method proposed elucidates how accuracy and sensitivity can be improved in water holdup measurements under high water content conditions.

  9. High performance yellow organic electroluminescent devices by doping iridium(III) complex into host materials with stepwise energy levels

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Rongzhen; Zhou, Liang, E-mail: zhoul@ciac.ac.cn; Jiang, Yunlong; Li, Yanan; Zhao, Xuesen; Zhang, Hongjie, E-mail: hongjie@ciac.ac.cn

    2015-10-15

    In this work, we aim to further improve the electroluminescent (EL) performances of a yellow light-emitting iridium(III) complex by designing double light-emitting layers (EMLs) devices having stepwise energy levels. Compared with single-EML devices, these designed double-EML devices showed improved EL efficiency and brightness attributed to better balance in carriers. In addition, the stepwise distribution in energy levels of host materials is instrumental in broadening the recombination zone, thus delaying the roll-off of EL efficiency. Based on the investigation of carriers' distribution, device structure was further optimized by adjusting the thickness of deposited layers. Finally, yellow EL device (Commission Internationale de l'Eclairage (CIE) coordinates of (0.446, 0.542)) with maximum current efficiency, power efficiency and brightness up to 78.62 cd/A (external quantum efficiency (EQE) of 21.1%), 82.28 lm/W and 72,713 cd/m{sup 2}, respectively, was obtained. Even at the high brightness of 1000 cd/m{sup 2}, EL efficiency as high as 65.54 cd/A (EQE=17.6%) can be retained. - Highlights: • Yellow electroluminescent devices were designed and fabricated. • P-type and n-type materials having stepwise energy levels were chosen as host materials. • Better balance of holes and electrons causes the enhanced efficiencies. • Improved carriers' trapping suppresses the emission of host material.

  10. Bloch Surface Waves Biosensors for High Sensitivity Detection of Soluble ERBB2 in a Complex Biological Environment.

    Science.gov (United States)

    Sinibaldi, Alberto; Sampaoli, Camilla; Danz, Norbert; Munzert, Peter; Sonntag, Frank; Centola, Fabio; Occhicone, Agostino; Tremante, Elisa; Giacomini, Patrizio; Michelotti, Francesco

    2017-08-17

    We report on the use of one-dimensional photonic crystals to detect clinically relevant concentrations of the cancer biomarker ERBB2 in cell lysates. Overexpression of the ERBB2 protein is associated with aggressive breast cancer subtypes. To detect soluble ERBB2, we developed an optical set-up which operates in both label-free and fluorescence modes. The detection approach makes use of a sandwich assay, in which the one-dimensional photonic crystals sustaining Bloch surface waves are modified with monoclonal antibodies, in order to guarantee high specificity during the biological recognition. We present the results of exemplary protein G based label-free assays in complex biological matrices, reaching an estimated limit of detection of 0.5 ng/mL. On-chip and chip-to-chip variability of the results is addressed too, providing repeatability rates. Moreover, results on fluorescence operation demonstrate the capability to perform high sensitive cancer biomarker assays reaching a resolution of 0.6 ng/mL, without protein G assistance. The resolution obtained in both modes meets international guidelines and recommendations (15 ng/mL) for ERBB2 quantification assays, providing an alternative tool to phenotype and diagnose molecular cancer subtypes.

  11. Highly microporous carbons derived from a complex of glutamic acid and zinc chloride for use in supercapacitors

    Science.gov (United States)

    Dong, Xiao-Ling; Lu, An-Hui; He, Bin; Li, Wen-Cui

    2016-09-01

    The selection of carbon precursor is an important factor when designing carbon materials. In this study, a complex derived from L-glutamic acid and zinc chloride was used to prepare highly microporous carbons via facile pyrolysis. L-glutamic acid, a new carbon precursor with nitrogen functionality, coordinated with zinc chloride resulted in a homogeneous distribution of Zn2+ on the molecular level. During pyrolysis, the evaporation of the in situ formed zinc species creates an abundance of micropores together with the inert gases. The obtained carbons exhibit high specific surface area (SBET: 1203 m2 g-1) and a rich nitrogen content (4.52 wt%). In excess of 89% of the pore volume consists of micropores with pore size ranging from 0.5 to 1.2 nm. These carbons have been shown to be suitable for use as supercapacitor electrodes, and have been tested in 6 M KOH where a capacitance of 217 F g-1 was achieved at a current density of 0.5 A g-1. A long cycling life of 30 000 cycles was achieved at a current density of 1 A g-1, with only a 9% loss in capacity. The leakage current through a two-electrode device was measured as 2.3 μA per mg of electrode and the self-discharge characteristics were minimal.

  12. A high-resolution 7-Tesla fMRI dataset from complex natural stimulation with an audio movie.

    Science.gov (United States)

    Hanke, Michael; Baumgartner, Florian J; Ibe, Pierre; Kaule, Falko R; Pollmann, Stefan; Speck, Oliver; Zinke, Wolf; Stadler, Jörg

    2014-01-01

    Here we present a high-resolution functional magnetic resonance (fMRI) dataset - 20 participants recorded at high field strength (7 Tesla) during prolonged stimulation with an auditory feature film ("Forrest Gump"). In addition, a comprehensive set of auxiliary data (T1w, T2w, DTI, susceptibility-weighted image, angiography) as well as measurements to assess technical and physiological noise components have been acquired. An initial analysis confirms that these data can be used to study common and idiosyncratic brain response patterns to complex auditory stimulation. Among the potential uses of this dataset are the study of auditory attention and cognition, language and music perception, and social perception. The auxiliary measurements enable a large variety of additional analysis strategies that relate functional response patterns to structural properties of the brain. Alongside the acquired data, we provide source code and detailed information on all employed procedures - from stimulus creation to data analysis. In order to facilitate replicative and derived works, only free and open-source software was utilized.

  13. Identification of unprecedented anticancer properties of high molecular weight biomacromolecular complex containing bovine lactoferrin (HMW-bLf.

    Directory of Open Access Journals (Sweden)

    Fawzi Ebrahim

    Full Text Available With the successful clinical trials, multifunctional glycoprotein bovine lactoferrin is gaining attention as a safe nutraceutical and biologic drug targeting cancer, chronic-inflammatory, viral and microbial diseases. Interestingly, recent findings that human lactoferrin oligomerizes under simulated physiological conditions signify the possible role of oligomerization in the multifunctional activities of lactoferrin molecule during infections and in disease targeting signaling pathways. Here we report the purification and physicochemical characterization of high molecular weight biomacromolecular complex containing bovine lactoferrin (≥250 kDa, from bovine colostrum, a naturally enriched source of lactoferrin. It showed structural similarities to native monomeric iron free (Apo lactoferrin (∼78-80 kDa, retained anti-bovine lactoferrin antibody specific binding and displayed potential receptor binding properties when tested for cellular internalization. It further displayed higher thermal stability and better resistance to gut enzyme digestion than native bLf monomer. High molecular weight bovine lactoferrin was functionally bioactive and inhibited significantly the cell proliferation (p<0.01 of human breast and colon carcinoma derived cells. It induced significantly higher cancer cell death (apoptosis and cytotoxicity in a dose-dependent manner in cancer cells than the normal intestinal cells. Upon cellular internalization, it led to the up-regulation of caspase-3 expression and degradation of actin. In order to identify the cutting edge future potential of this bio-macromolecule in medicine over the monomer, its in-depth structural and functional properties need to be investigated further.

  14. Tests of high-resolution simulations over a region of complex terrain in Southeast coast of Brazil

    Science.gov (United States)

    Chou, Sin Chan; Luís Gomes, Jorge; Ristic, Ivan; Mesinger, Fedor; Sueiro, Gustavo; Andrade, Diego; Lima-e-Silva, Pedro Paulo

    2013-04-01

    The Eta Model is used operationally by INPE at the Centre for Weather Forecasts and Climate Studies (CPTEC) to produce weather forecasts over South America since 1997. The model has gone through upgrades along these years. In order to prepare the model for operational higher resolution forecasts, the model is configured and tested over a region of complex topography located near the coast of Southeast Brazil. The model domain includes the two Brazilians cities, Rio de Janeiro and Sao Paulo, urban areas, preserved tropical forest, pasture fields, and complex terrain where it can rise from sea level up to about 1000 m. Accurate near-surface wind direction and magnitude are needed for the power plant emergency plan. Besides, the region suffers from frequent events of floods and landslides, therefore accurate local forecasts are required for disaster warnings. The objective of this work is to carry out a series of numerical experiments to test and evaluate high resolution simulations in this complex area. Verification of model runs uses observations taken from the nuclear power plant and higher resolution reanalyses data. The runs were tested in a period when flow was predominately forced by local conditions and in a period forced by frontal passage. The Eta Model was configured initially with 2-km horizontal resolution and 50 layers. The Eta-2km is a second nesting, it is driven by Eta-15km, which in its turn is driven by Era-Interim reanalyses. The series of experiments consists of replacing surface layer stability function, adjusting cloud microphysics scheme parameters, further increasing vertical and horizontal resolutions. By replacing the stability function for the stable conditions substantially increased the katabatic winds and verified better against the tower wind data. Precipitation produced by the model was excessive in the region. Increasing vertical resolution to 60 layers caused a further increase in precipitation production. This excessive

  15. A highly efficient nano-cluster artificial peroxidase and its direct electrochemistry on a nano complex modified glassy carbon electrode.

    Science.gov (United States)

    Hong, Jun; Wang, Wei; Huang, Kun; Yang, Wei-Yun; Zhao, Ying-Xue; Xiao, Bao-Lin; Gao, Yun-Fei; Moosavi-Movahedi, Zainab; Ghourchian, Hedayatollah; Moosavi-Movahedi, Ali Akbar

    2012-01-01

    A nano-cluster with highly efficient peroxide activity was constructed based on nafion (NF) and cytochrome c (Cyt c). UV-Vis spectrometry and transmission electron microscopy (TEM) methods were utilized for characterization of the nano-structured enzyme or artificial peroxidase (AP). The nano-cluster was composed of a Chain-Ball structure, with an average ball size of about 40 nm. The Michaelis-Menten (K(m)) and catalytic rate (k(cat)) constants of the AP were determined to be 2.5 ± 0.4 µM and 0.069 ± 0.001 s(-1), respectively, in 50 mM PBS at pH 7.0. The catalytic efficiency of the AP was evaluated to be 0.028 ± 0.005 µM(-1) s(-1), which was 39 ± 5% as efficient as the native horseradish peroxidase (HRP). The AP was also immobilized on a functional multi-wall carbon nanotube (MWNCTs)-gold colloid nanoparticles (AuNPs) nano-complex modified glassy carbon (GC) electrode. The cyclic voltammetry of AP on the nano complex modified GC electrode showed a pair of well-defined redox peaks with a formal potential (E°') of -45 ± 2 mV (vs. Ag/AgCl) at a scan rate of 0.05 V/s. The heterogeneous electron transfer rate constant (k(s)) was evaluated to be 0.65 s(-1). The surface concentration of electroactive AP on GC electrode (Γ) was 7 × 10(-10) mol cm(-2). The apparent Michaelis-Menten constant (K(m)(app)) was 0.23 nM.

  16. Developing a Highly Active Blood Anticoagulant—a Heparin Complex with Glutamic Acid—by Simulating Chemical Equilibria Based on pH-Metric Data

    Science.gov (United States)

    Nikolaeva, L. S.; Semenov, A. N.

    2018-02-01

    The anticoagulant activity of high-molecular-weight heparin is increased by developing a new highly active heparin complex with glutamate using the thermodynamic model of chemical equilibria based on pH-metric data. The anticoagulant activity of the developed complexes is estimated in the pH range of blood plasma according to the drop in the calculated equilibrium Ca2+ concentration associated with the formation of mixed ligand complexes of Ca2+ ions, heparin (Na4hep), and glutamate (H2Glu). A thermodynamic model is calculated by mathematically modelling chemical equilibria in the CaCl2-Na4hep-H2Glu-H2O-NaCl system in the pH range of 2.30 ≤ pH ≤ 10.50 in diluted saline that acts as a background electrolyte (0.154 M NaCl) at 37°C and initial concentrations of the main components of ν × 10-3 M, where n ≤ 4. The thermodynamic model is used to determine the main complex of the monomeric unit of heparin with glutamate (HhepGlu5-) and the most stable mixed ligand complex of Ca2+ with heparin and glutamate (Ca2hepGlu2-) in the pH range of blood plasma (6.80 ≤ pH ≤ 7.40). It is concluded that the Ca2hepGlu2- complex reduces the Ca2+ concentration 107 times more than the Ca2+ complex with pure heparin. The anticoagulant effect of the developed HhepGlu5- complex is confirmed in vitro and in vivo via coagulation tests on the blood plasma of laboratory rats. Additional antithrombotic properties of the developed complex are identified. The new highly active anticoagulant, HhepGlu5- complex with additional antithrombotic properties, is patented.

  17. Highly selective single-use fluoride ion optical sensor based on aluminum(III)-salen complex in thin polymeric film

    International Nuclear Information System (INIS)

    Badr, Ibrahim H.A.; Meyerhoff, Mark E.

    2005-01-01

    A highly selective optical sensor for fluoride ion based on the use of an aluminum(III)-salen complex as an ionophore within a thin polymeric film is described. The sensor is prepared by embedding the aluminum(III)-salen ionophore and a suitable lipophilic pH-sensitive indicator (ETH-7075) in a plasticized poly(vinyl chloride) (PVC) film. Optical response to fluoride occurs due to fluoride extraction into the polymer via formation of a strong complex with the aluminum(III)-salen species. Co-extraction of protons occurs simultaneously, with protonation of the indicator dye yielding the optical response at 529 nm. Films prepared using dioctylsebacate (DOS) are shown to exhibit better response (e.g., linear range, detection limit, and optical signal stability) compared to those prepared using ortho-nitrophenyloctyl ether (o-NPOE). Films formulated with aluminum(III)-salen and ETH-7075 indicator in 2 DOS:1 PVC, exhibit a significantly enhanced selectivity for fluoride over a wide range of lipophilic anions including salicylate, perchlorate, nitrate, and thiocyanate. The optimized films exhibit a sub-micromolar detection limit, using glycine-phosphate buffer, pH 3.00, as the test sample. The response times of the fluoride optical sensing films are in the range of 1-10 min depending on the fluoride ion concentration in the sample. The sensor exhibits very poor reversibility owing to a high co-extraction constant (log K = 8.5 ± 0.4), indicating that it can best be employed as a single-use transduction device. The utility of the aluminum(III)-salen based fluoride sensitive films as single-use sensors is demonstrated by casting polymeric films on the bottom of standard polypropylene microtiter plate wells (96 wells/plate). The modified microtiter plate optode format sensors exhibit response characteristics comparable to the classical optode films cast on quartz slides. The modified microtiter is utilized for the analysis of fluoride in diluted anti-cavity fluoride rinse

  18. Accurate prediction of complex free surface flow around a high speed craft using a single-phase level set method

    Science.gov (United States)

    Broglia, Riccardo; Durante, Danilo

    2017-11-01

    This paper focuses on the analysis of a challenging free surface flow problem involving a surface vessel moving at high speeds, or planing. The investigation is performed using a general purpose high Reynolds free surface solver developed at CNR-INSEAN. The methodology is based on a second order finite volume discretization of the unsteady Reynolds-averaged Navier-Stokes equations (Di Mascio et al. in A second order Godunov—type scheme for naval hydrodynamics, Kluwer Academic/Plenum Publishers, Dordrecht, pp 253-261, 2001; Proceedings of 16th international offshore and polar engineering conference, San Francisco, CA, USA, 2006; J Mar Sci Technol 14:19-29, 2009); air/water interface dynamics is accurately modeled by a non standard level set approach (Di Mascio et al. in Comput Fluids 36(5):868-886, 2007a), known as the single-phase level set method. In this algorithm the governing equations are solved only in the water phase, whereas the numerical domain in the air phase is used for a suitable extension of the fluid dynamic variables. The level set function is used to track the free surface evolution; dynamic boundary conditions are enforced directly on the interface. This approach allows to accurately predict the evolution of the free surface even in the presence of violent breaking waves phenomena, maintaining the interface sharp, without any need to smear out the fluid properties across the two phases. This paper is aimed at the prediction of the complex free-surface flow field generated by a deep-V planing boat at medium and high Froude numbers (from 0.6 up to 1.2). In the present work, the planing hull is treated as a two-degree-of-freedom rigid object. Flow field is characterized by the presence of thin water sheets, several energetic breaking waves and plungings. The computational results include convergence of the trim angle, sinkage and resistance under grid refinement; high-quality experimental data are used for the purposes of validation, allowing to

  19. High Resolution X-ray Diffraction Dataset for Bacillus licheniformis Gamma Glutamyl Transpeptidase-acivicin complex: SUMO-Tag Renders High Expression and Solubility.

    Science.gov (United States)

    Kumari, Shobha; Pal, Ravi Kant; Gupta, Rani; Goel, Manisha

    2017-02-01

    Gamma glutamyl transpeptidase, (GGT) is a ubiquitous protein which plays a central role in glutathione metabolism and has myriad clinical implications. It has been shown to be a virulence factor for pathogenic bacteria, inhibition of which results in reduced colonization potential. However, existing inhibitors are effective but toxic and therefore search is on for novel inhibitors, which makes it imperative to understand the interactions of various inhibitors with the protein in substantial detail. High resolution structures of protein bound to different inhibitors can serve this purpose. Gamma glutamyl transpeptidase from Bacillus licheniformis is one of the model systems that have been used to understand the structure-function correlation of the protein. The structures of the native protein (PDB code 4OTT), of its complex with glutamate (PDB code 4OTU) and that of its precursor mimic (PDB code 4Y23) are available, although at moderate/low resolution. In the present study, we are reporting the preliminary analysis of, high resolution X-ray diffraction data collected for the co-crystals of B. licheniformis, Gamma glutamyl transpeptidase, with its inhibitor, Acivicin. Crystals belong to the orthorhombic space group P2 1 2 1 2 1 and diffract X-ray to 1.45 Å resolution. This is the highest resolution data reported for all GGT structures available till now. The use of SUMO fused expression system enhanced yield of the target protein in the soluble fraction, facilitating recovery of protein with high purity. The preliminary analysis of this data set shows clear density for the inhibitor, acivicin, in the protein active site.

  20. Robust Design of a Particle-Free Silver-Organo-Complex Ink with High Conductivity and Inkjet Stability for Flexible Electronics

    KAUST Repository

    Vaseem, Mohammad; McKerricher, Garret; Shamim, Atif

    2015-01-01

    Currently, silver-nanoparticle-based inkjet ink is commercially available. This type of ink has several serious problems such as a complex synthesis protocol, high cost, high sintering temperatures (∼200 °C), particle aggregation, nozzle clogging, poor shelf life, and jetting instability. For the emerging field of printed electronics, these shortcomings in conductive inks are barriers for their widespread use in practical applications. Formulating particle-free silver inks has potential to solve these issues and requires careful design of the silver complexation. The ink complex must meet various requirements, such as in situ reduction, optimum viscosity, storage and jetting stability, smooth uniform sintered films, excellent adhesion, and high conductivity. This study presents a robust formulation of silver–organo-complex (SOC) ink, where complexing molecules act as reducing agents. The 17 wt % silver loaded ink was printed and sintered on a wide range of substrates with uniform surface morphology and excellent adhesion. The jetting stability was monitored for 5 months to confirm that the ink was robust and highly stable with consistent jetting performance. Radio frequency inductors, which are highly sensitive to metal quality, were demonstrated as a proof of concept on flexible PEN substrate. This is a major step toward producing high-quality electronic components with a robust inkjet printing process.

  1. Robust Design of a Particle-Free Silver-Organo-Complex Ink with High Conductivity and Inkjet Stability for Flexible Electronics

    KAUST Repository

    Vaseem, Mohammad

    2015-12-29

    Currently, silver-nanoparticle-based inkjet ink is commercially available. This type of ink has several serious problems such as a complex synthesis protocol, high cost, high sintering temperatures (∼200 °C), particle aggregation, nozzle clogging, poor shelf life, and jetting instability. For the emerging field of printed electronics, these shortcomings in conductive inks are barriers for their widespread use in practical applications. Formulating particle-free silver inks has potential to solve these issues and requires careful design of the silver complexation. The ink complex must meet various requirements, such as in situ reduction, optimum viscosity, storage and jetting stability, smooth uniform sintered films, excellent adhesion, and high conductivity. This study presents a robust formulation of silver–organo-complex (SOC) ink, where complexing molecules act as reducing agents. The 17 wt % silver loaded ink was printed and sintered on a wide range of substrates with uniform surface morphology and excellent adhesion. The jetting stability was monitored for 5 months to confirm that the ink was robust and highly stable with consistent jetting performance. Radio frequency inductors, which are highly sensitive to metal quality, were demonstrated as a proof of concept on flexible PEN substrate. This is a major step toward producing high-quality electronic components with a robust inkjet printing process.

  2. Major histocompatibility complex class II compatibility, but not class I, predicts mate choice in a bird with highly developed olfaction.

    Science.gov (United States)

    Strandh, Maria; Westerdahl, Helena; Pontarp, Mikael; Canbäck, Björn; Dubois, Marie-Pierre; Miquel, Christian; Taberlet, Pierre; Bonadonna, Francesco

    2012-11-07

    Mate choice for major histocompatibility complex (MHC) compatibility has been found in several taxa, although rarely in birds. MHC is a crucial component in adaptive immunity and by choosing an MHC-dissimilar partner, heterozygosity and potentially broad pathogen resistance is maximized in the offspring. The MHC genotype influences odour cues and preferences in mammals and fish and hence olfactory-based mate choice can occur. We tested whether blue petrels, Halobaena caerulea, choose partners based on MHC compatibility. This bird is long-lived, monogamous and can discriminate between individual odours using olfaction, which makes it exceptionally well suited for this analysis. We screened MHC class I and II B alleles in blue petrels using 454-pyrosequencing and quantified the phylogenetic, functional and allele-sharing similarity between individuals. Partners were functionally more dissimilar at the MHC class II B loci than expected from random mating (p = 0.033), whereas there was no such difference at the MHC class I loci. Phylogenetic and non-sequence-based MHC allele-sharing measures detected no MHC dissimilarity between partners for either MHC class I or II B. Our study provides evidence of mate choice for MHC compatibility in a bird with a high dependency on odour cues, suggesting that MHC odour-mediated mate choice occurs in birds.

  3. The Oligocene carbonate platform of the Zagros Basin, SW Iran: An assessment of highly-complex geological heritage

    Science.gov (United States)

    Habibi, Tahereh; Ruban, Dmitry A.

    2017-05-01

    North Africa and the Middle East possess rich geological heritage, but the latter is yet to be fully identified and described. The Oligocene carbonate platform of the Zagros Basin in southwest Iran, which corresponds to the lower part of the Asmari Formation, has significant potential for geoconservation and geotourism. The types of the geological heritage, their value, and the possible geosites have been assessed. The studied deposits are interesting because of lithology (carbonate rocks), fossils (larger foraminifera, other microfossils, diverse marine invertebrates, fish microremains, and trace fossils), biostratigraphical developments, facies (homoclinal carbonate ramp) and signature of global events (glacioeustatic fluctuations), and outstanding hydrocarbon resources. The five main geological heritage types are sedimentary, palaeontological, stratigraphical, palaeogeographical, and economical, from which the palaeontological, palaeogeographical, and economical types are of global rank. The Khollar and Kavar sections in the Fars Province of Iran are recommended as geosites suitable for research, education, and tourism. The high complexity of the geological heritage linked to the Oligocene carbonate platform of the Zagros Basin implies the phenomenon of geodiversity should be understood with regard to the relationships between types and their values.

  4. Smoke Dispersion Modeling Over Complex Terrain Using High-Resolution Meteorological Data and Satellite Observations: The FireHub Platform

    Science.gov (United States)

    Solomos, S.; Amiridis, V.; Zanis, P.; Gerasopoulos, E.; Sofiou, F. I.; Herekakis, T.; Brioude, J.; Stohl, A.; Kahn, R. A.; Kontoes, C.

    2015-01-01

    A total number of 20,212 fire hot spots were recorded by the Moderate Resolution Imaging Spectroradiometer (MODIS) satellite instrument over Greece during the period 2002e2013. The Fire Radiative Power (FRP) of these events ranged from 10 up to 6000 MW at 1 km resolution, and many of these fire episodes resulted in long-range transport of smoke over distances up to several hundred kilometers. Three different smoke episodes over Greece are analyzed here using real time hot-spot observations from the Spinning Enhanced Visible and Infrared Imager (SEVIRI) satellite instrument as well as from MODIS hot-spots. Simulations of smoke dispersion are performed with the FLEXPART-WRF model and particulate matter emissions are calculated directly from the observed FRP. The modeled smoke plumes are compared with smoke stereo-heights from the Multiangle Imaging Spectroradiometer (MISR) instrument and the sensitivities to atmospheric and modeling parameters are examined. Driving the simulations with high resolution meteorology (4 4 km) and using geostationary satellite data to identify the hot spots allows the description of local scale features that govern smoke dispersion. The long-range transport of smoke is found to be favored over the complex coastline environment of Greece due to the abrupt changes between land and marine planetary boundary layers (PBL) and the decoupling of smoke layers from the surface.

  5. Modeling the high-frequency complex modulus of silicone rubber using standing Lamb waves and an inverse finite element method.

    Science.gov (United States)

    Jonsson, Ulf; Lindahl, Olof; Andersson, Britt

    2014-12-01

    To gain an understanding of the high-frequency elastic properties of silicone rubber, a finite element model of a cylindrical piezoelectric element, in contact with a silicone rubber disk, was constructed. The frequency-dependent elastic modulus of the silicone rubber was modeled by a fourparameter fractional derivative viscoelastic model in the 100 to 250 kHz frequency range. The calculations were carried out in the range of the first radial resonance frequency of the sensor. At the resonance, the hyperelastic effect of the silicone rubber was modeled by a hyperelastic compensating function. The calculated response was matched to the measured response by using the transitional peaks in the impedance spectrum that originates from the switching of standing Lamb wave modes in the silicone rubber. To validate the results, the impedance responses of three 5-mm-thick silicone rubber disks, with different radial lengths, were measured. The calculated and measured transitional frequencies have been compared in detail. The comparison showed very good agreement, with average relative differences of 0.7%, 0.6%, and 0.7% for the silicone rubber samples with radial lengths of 38.0, 21.4, and 11.0 mm, respectively. The average complex elastic moduli of the samples were (0.97 + 0.009i) GPa at 100 kHz and (0.97 + 0.005i) GPa at 250 kHz.

  6. High-Resolution Imaging Reveals New Features of Nuclear Export of mRNA through the Nuclear Pore Complexes

    Directory of Open Access Journals (Sweden)

    Joseph M. Kelich

    2014-08-01

    Full Text Available The nuclear envelope (NE of eukaryotic cells provides a physical barrier for messenger RNA (mRNA and the associated proteins (mRNPs traveling from sites of transcription in the nucleus to locations of translation processing in the cytoplasm. Nuclear pore complexes (NPCs embedded in the NE serve as a dominant gateway for nuclear export of mRNA. However, the fundamental characterization of export dynamics of mRNPs through the NPC has been hindered by several technical limits. First, the size of NPC that is barely below the diffraction limit of conventional light microscopy requires a super-resolution microscopy imaging approach. Next, the fast transit of mRNPs through the NPC further demands a high temporal resolution by the imaging approach. Finally, the inherent three-dimensional (3D movements of mRNPs through the NPC demand the method to provide a 3D mapping of both transport kinetics and transport pathways of mRNPs. This review will highlight the recently developed super-resolution imaging techniques advanced from 1D to 3D for nuclear export of mRNPs and summarize the new features in the dynamic nuclear export process of mRNPs revealed from these technical advances.

  7. Heterometallic and homometallic complexes containing bifunctional ligands and their application in high-temperature oxide superconductor materials

    Science.gov (United States)

    Breeze, Steven R.

    We have been interested in the development of soluble precursors for the production of YBasb2Cusb3Osb{7-delta} and Bisb2(Ca,Sr)sbn+1CusbnOsb(2n + 4) + delta, superconductor materials. Several heterometallic and homometallic complexes containing the constituent metals of these superconductors and bifunctional ligands such as aminoalcohols, acetates and thioethers have been isolated and structurally characterized. The thermal decomposition properties and magnetic properties of some of these compounds have been investigated. The first ligand system investigated involved 1,3-bis(dimethylamino)-2-propanol (bdmapH). By varying the ratio of bdmapH, Cu(OCHsb3)sb2, and M(Osb2CCFsb3)sb2 (M = Ca, Sr) several heterometallic complexes have been obtained, including Srsb2Cusb2(bdmap)sb4(Osb2CCFsb3)sb4, CaCu(bdmap)sb2(Osb2CCFsb3)sb3(Hsb2O), Srsb2Cusb4(bdmap)sb6-(Osb2CCFsb3)sb4(musb 3-OH)sb2(THF)sb2 and SrCusb2(bdmap)sb3(Osb2CCFsb3)sb3(THF). With the exception of Srsb2Cusb4(bdmap)sb6(Osb2CCFsb3)sb4(musb 3-OH)sb2(THF)sb2, these compounds thermally decompose to form mixtures of fluorides and oxides. An analogous acetate compound SrCusb2(bdmap)sb3(Osb2CCHsb3)sb3(THF) has been produced, which forms the corresponding oxide at high temperature. A bismuth dimer, Bisb2(bdmap)sb2(Osb2CCHsb3)sb4(Hsb2O), has also been obtained. Superconducting powder of the Bisb2Srsb2CaCusb2Osb{8 + delta} and epitaxial superconducting films of the YBasb2Cusb3Osb{7-delta} superconductor have been produced using the bdmap and acetate ligands as cross-linking reagents. The second ligand system investigated involved di-2-pyridylmethanediol. Only homonuclear complexes have been obtained by using this ligand, including the mononuclear compound Cu ((2-py)sb2CO(OH)) sb2(HOsb2CCH sb3)sb2*CHsb2Clsb2, the tetranuclear compound Cusb4 ((2-py)sb2CO(OH)) sb2(Osb2CCHsb 3)sb6(Hsb2O)sb2*CHsb2Clsb2, and the bismuth dimer Bisb2 ((2-py)sb2CO(OH)) sb2(Osb 2CCFsb3)sb4*(THF)sb2. The tetranuclear Cusb4 compound was found to be

  8. ALMA Reveals Sequential High-mass Star Formation in the G9.62+0.19 Complex

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Tie; Kim, Kee-Tae [Korea Astronomy and Space Science Institute 776, Daedeokdae-ro, Yuseong-gu, Daejeon, Korea 34055 (Korea, Republic of); Lacy, John [Department of Astronomy, University of Texas at Austin, Austin, TX 78712 (United States); Li, Pak Shing [Astronomy Department, University of California, Berkeley, CA 94720 (United States); Wang, Ke [European Southern Observatory, Karl-Schwarzschild-Str.2, D-85748 Garching bei München (Germany); Qin, Sheng-Li [Department of Astronomy, Yunnan University, and Key Laboratory of Astroparticle Physics of Yunnan Province, Kunming, 650091 (China); Zhang, Qizhou [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Garay, Guido; Mardones, Diego [Departamento de Astronomía, Universidad de Chile, Casilla 36-D, Santiago (Chile); Wu, Yuefang [Department of Astronomy, Peking University, Beijing 100871 (China); Zhu, Qingfeng [Astronomy Department, University of Science and Technology, Chinese Academy of Sciences, Hefei 210008 (China); Tatematsu, Ken’ichi; Hirota, Tomoya [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan); Ren, Zhiyuan; Li, Di [National Astronomical Observatories, Chinese Academy of Science, A20 Datun Road, Chaoyang District, Beijing 100012 (China); Liu, Sheng-Yuan; Chen, Huei-Ru; Su, Yu-Nung, E-mail: liutiepku@gmail.com [Academia Sinica, Institute of Astronomy and Astrophysics, P.O. Box 23-141, Taipei 106, Taiwan (China)

    2017-11-01

    Stellar feedback from high-mass stars (e.g., H ii regions) can strongly influence the surrounding interstellar medium and regulate star formation. Our new ALMA observations reveal sequential high-mass star formation taking place within one subvirial filamentary clump (the G9.62 clump) in the G9.62+0.19 complex. The 12 dense cores (MM1–MM12) detected by ALMA are at very different evolutionary stages, from the starless core phase to the UC H ii region phase. Three dense cores (MM6, MM7/G, MM8/F) are associated with outflows. The mass–velocity diagrams of the outflows associated with MM7/G and MM8/F can be well-fit by broken power laws. The mass–velocity diagram of the SiO outflow associated with MM8/F breaks much earlier than other outflow tracers (e.g., CO, SO, CS, HCN), suggesting that SiO traces newly shocked gas, while the other molecular lines (e.g., CO, SO, CS, HCN) mainly trace the ambient gas continuously entrained by outflow jets. Five cores (MM1, MM3, MM5, MM9, MM10) are massive starless core candidates whose masses are estimated to be larger than 25 M {sub ☉}, assuming a dust temperature of ≤20 K. The shocks from the expanding H ii regions (“B” and “C”) to the west may have a great impact on the G9.62 clump by compressing it into a filament and inducing core collapse successively, leading to sequential star formation. Our findings suggest that stellar feedback from H ii regions may enhance the star formation efficiency and suppress low-mass star formation in adjacent pre-existing massive clumps.

  9. Atmospheric and dispersion modeling in areas of highly complex terrain employing a four-dimensional data assimilation technique

    International Nuclear Information System (INIS)

    Fast, J.D.; O'Steen, B.L.

    1994-01-01

    The results of this study indicate that the current data assimilation technique can have a positive impact on the mesoscale flow fields; however, care must be taken in its application to grids of relatively fine horizontal resolution. Continuous FDDA is a useful tool in producing high-resolution mesoscale analysis fields that can be used to (1) create a better initial conditions for mesoscale atmospheric models and (2) drive transport models for dispersion studies. While RAMS is capable of predicting the qualitative flow during this evening, additional experiments need to be performed to improve the prognostic forecasts made by RAMS and refine the FDDA procedure so that the overall errors are reduced even further. Despite the fact that a great deal of computational time is necessary in executing RAMS and LPDM in the configuration employed in this study, recent advances in workstations is making applications such as this more practical. As the speed of these machines increase in the next few years, it will become feasible to employ prognostic, three-dimensional mesoscale/transport models to routinely predict atmospheric dispersion of pollutants, even to highly complex terrain. For example, the version of RAMS in this study could be run in a ''nowcasting'' model that would continually assimilate local and regional observations as soon as they become available. The atmospheric physics in the model would be used to determine the wind field where no observations are available. The three-dimensional flow fields could be used as dynamic initial conditions for a model forecast. The output from this type of modeling system will have to be compared to existing diagnostic, mass-consistent models to determine whether the wind field and dispersion forecasts are significantly improved

  10. High-resolution MR imaging of triangular fibrocartilage complex (TFCC): comparison of microscopy coils and a conventional small surface coil

    Energy Technology Data Exchange (ETDEWEB)

    Yoshioka, Hiroshi [Department of Radiology, University of Tsukuba, Tsukuba (Japan); Department of Radiology, Brigham and Women' s Hospital, 75 Francis Street, 02115, Boston, MA (United States); Ueno, Teruko; Itai, Yuji [Department of Radiology, University of Tsukuba, Tsukuba (Japan); Tanaka, Toshikazu [Department of Orthopedic Surgery, Tsukuba Kinen Hospital, Tsukuba (Japan); Shindo, Masashi [Tsukuba University Hospital, Tsukuba (Japan)

    2003-10-01

    To compare MR images of the triangular fibrocartilage complex (TFCC) using microscopy coils with those using a conventional surface coil qualitatively and quantitatively. Proton density-weighted images and T2*-weighted images of the TFCC from ten normal volunteers were obtained with a conventional surface coil (C4 coil; 80 mm in diameter), a 47-mm microscopy surface coil and a 23-mm microscopy surface coil at 1.5 T. Qualitative image analysis of MR images with three coils was performed by two radiologists who assigned one of five numerical scores (0, nonvisualization; 1, poor; 2, average; 3, good; 4, excellent) for five TFCC components, which were disc proper, triangular ligament, meniscus homologue, ulnotriquetral and ulnolunate ligament. Quantitative analysis included the signal-to-noise ratio (S/N) of the disc proper of TFCC, the lunate cartilage, the lunate bone and the contrast-noise-ratio (C/N) between articular cartilage and disc proper or bone marrow were measured. All structures show higher scores qualitatively on MR with microscopy coils than those with a C4 coil, and the difference was significant with the exception of the ulnolunate ligament. MR with microscopy coils showed significantly higher S/N values than those with a conventional surface coil (P<0.05 to P<0.001). T2*-weighted images using microscopy coils showed significantly higher cartilage-disc proper C/N and cartilage-bone marrow C/N (P<0.01 to P<0.001). On proton density-weighted images, the C/N between cartilage and disc proper with two microscopy coils was significantly higher (P<0.01) than that with a conventional coil. High-resolution MR images of the normal wrist using microscopy coils were superior to those using a conventional surface coil qualitatively and quantitatively. High-resolution MR imaging with a microscopy coil would be a promising method to diagnose TFCC lesions. (orig.)

  11. High-Frequency Repetitive Sensory Stimulation as Intervention to Improve Sensory Loss in Patients with Complex Regional Pain Syndrome I.

    Science.gov (United States)

    David, Marianne; Dinse, Hubert R; Mainka, Tina; Tegenthoff, Martin; Maier, Christoph

    2015-01-01

    Achieving perceptual gains in healthy individuals or facilitating rehabilitation in patients is generally considered to require intense training to engage neuronal plasticity mechanisms. Recent work, however, suggested that beneficial outcome similar to training can be effectively acquired by a complementary approach in which the learning occurs in response to mere exposure to repetitive sensory stimulation (rSS). For example, high-frequency repetitive sensory stimulation (HF-rSS) enhances tactile performance and induces cortical reorganization in healthy subjects and patients after stroke. Patients with complex regional pain syndrome (CRPS) show impaired tactile performance associated with shrinkage of cortical maps. We here investigated the feasibility and efficacy of HF-rSS, and low-frequency rSS (LF-rSS) to enhance tactile performance and reduce pain intensity in 20 patients with CRPS type I. Intermittent high- or low-frequency electrical stimuli were applied for 45 min/day to all fingertips of the affected hand for 5 days. Main outcome measures were spatial two-point-discrimination thresholds and mechanical detection thresholds measured on the tip of the index finger bilaterally. Secondary endpoint was current pain intensity. All measures were assessed before and on day 5 after the last stimulation session. HF-rSS applied in 16 patients improved tactile discrimination on the affected hand significantly without changes contralaterally. Current pain intensity remained unchanged on average, but decreased in four patients by ≥30%. This limited pain relief might be due to the short stimulation period of 5 days only. In contrast, after LF-rSS, tactile discrimination was impaired in all four patients, while detection thresholds and pain were not affected. Our data suggest that HF-rSS could be used as a novel approach in CRPS treatment to improve sensory loss. Longer treatment periods might be required to induce consistent pain relief.

  12. High frequency repetitive sensory stimulation as intervention to improve sensory loss in patients with complex regional pain syndrome (CRPS I

    Directory of Open Access Journals (Sweden)

    Marianne eDavid

    2015-11-01

    Full Text Available Achieving perceptual gains in healthy individuals, or facilitating rehabilitation in patients is generally considered to require intense training to engage neuronal plasticity mechanisms. Recent work, however, suggested that beneficial outcome similar to training can be effectively acquired by a complementary approach in which the learning occurs in response to mere exposure to repetitive sensory stimulation (rSS. For example, high-frequency repetitive sensory stimulation (HF-rSS enhances tactile performance and induces cortical reorganization in healthy subjects and patients after stroke. Patients with complex regional pain syndrome (CRPS show impaired tactile performance associated with shrinkage of cortical maps. We here investigated the feasibility and efficacy of HF-rSS, and low-frequency rSS (LF-rSS to enhance tactile performance and reduce pain intensity in 20 patients with CRPS type I. Intermittent high or low frequency electrical stimuli were applied for 45min/day to all fingertips of the affected hand for 5 days. Main outcome measures were spatial 2-point-discrimination thresholds and mechanical detection thresholds measured on the tip of the index finger bilaterally. Secondary endpoint was current pain intensity. All measures were assessed before and on day 5 after the last stimulation session. HF-rSS applied in 16 patients improved tactile discrimination on the affected hand significantly without changes contralaterally. Current pain intensity remained unchanged on average, but decreased in 4 patients by 30%. This limited pain relief might be due to the short stimulation period of 5 days only. In contrast, after LF-rSS, tactile discrimination was impaired in all 4 patients, while detection thresholds and pain were not affected. Our data suggest that HF-rSS could be used as a novel approach in CRPS treatment to improve sensory loss. Longer treatment periods might be required to induce consistent pain relief.

  13. Type III odontoid fractures: A subgroup analysis of complex, high-energy fractures treated with external immobilization

    Directory of Open Access Journals (Sweden)

    Thomas E Niemeier

    2018-01-01

    Conclusions: Complex Type III odontoid fractures are distinctly different from low-energy injuries. In the current study, 21% of patients were unsuccessfully treated nonoperatively with external immobilization and required surgery. For complex Type III fractures, we recommend initial conservative treatment, while maintaining close monitoring throughout patient recovery and fracture union.

  14. Organoruthenium Complexes with CN Ligands are Highly Potent Cytotoxic Agents that Act by a New Mechanism of Action

    Czech Academy of Sciences Publication Activity Database

    Novohradský, Vojtěch; Yellol, J.; Stuchlíková, O.; Santana, M.D.; Kostrhunová, Hana; Yellol, G.; Kašpárková, Jana; Bautista, D.; Ruiz, J.; Brabec, Viktor

    2017-01-01

    Roč. 23, č. 61 (2017), s. 15294-15299 ISSN 0947-6539 R&D Projects: GA ČR(CZ) GA17-05302S Institutional support: RVO:68081707 Keywords : chemotherapeutic-agents * ruthenium(ii) complexes * iridium(iii) complexes Subject RIV: CE - Biochemistry OBOR OECD: Biochemistry and molecular biology Impact factor: 5.317, year: 2016

  15. Using high resolution aridity and drainage position data to better predict rainfall-runoff relationships in complex upland topography

    Science.gov (United States)

    Metzen, D.; Sheridan, G. J.; Benyon, R. G.; Lane, P. N. J.

    2015-12-01

    In topographically complex terrain, the interaction of aspect-dependent solar exposure and drainage-position-dependent flow accumulation results in energy and water partitioning that is highly spatially variable. Catchment scale rainfall-runoff relationships are dependent on these smaller scale spatial patterns. However, there remains considerable uncertainty as to how to represent this smaller scale variability within lumped parameter, catchment scale rainfall-runoff models. In this study we aim to measure and represent the key interactions between aridity and drainage position in complex terrain to inform the development of simple catchment-scale hydrologic model parameters. Six measurement plots were setup on opposing slopes in an east-west facing eucalypt forest headwater catchment. The field sites are spanning three drainage positions with two contrasting aridity indices each, while minimizing variations in other factors, e.g. geology and weather patterns. Sapflow, soil water content (SWC) and throughfall were continuously monitored on two convergent hillslopes with similar size (1.3 and 1.6ha) but contrasting aspects (north and south). Soil depth varied from 0.6m at the topslope to >2m at the bottomslope positions. Maximum tree heights ranged from 16.2m to 36.9m on the equator-facing slope and from 30.1m to 45.5m on the pole-facing slope, with height decreasing upslope on both aspects. Two evapotranspiration (ET) patterns emerged in relation to aridity and drainage position. On the equator-facing slope (AI~ 2.1), seasonal understorey and overstorey ET patterns were in sync, whereas on the pole-facing slope (AI~1.5) understorey ET showed larger seasonal fluctuations than overstorey ET. Seasonal ET patterns and competition between soil evaporation and root water uptake lead to distinct differences in profile SWC across the sites, likely caused by depletion from different depths. Topsoil water content on equator-facing slopes was generally lower and responded

  16. A highly selective and non-reaction based chemosensor for the detection of Hg2+ ions using a luminescent iridium(III complex.

    Directory of Open Access Journals (Sweden)

    Daniel Shiu-Hin Chan

    Full Text Available We report herein a novel luminescent iridium(III complex with two hydrophobic carbon chains as a non-reaction based chemosensor for the detection of Hg(2+ ions in aqueous solution (<0.002% of organic solvent attributed to the probe solution. Upon the addition of Hg(2+ ions, the emission intensity of the complex was significantly enhanced and this change could be monitored by the naked eye under UV irradiation. The iridium(III complex shows high specificity for Hg(2+ ions over eighteen other cations. The system is capable of detecting micromolar levels of Hg(2+ ions, which is within the range of many chemical systems.

  17. Comparison of arthoroscopic findings and high-resolution MRI using a microscopy coil findings for triangle fibrocartilage complex injury

    International Nuclear Information System (INIS)

    Satomi, Yoshiaki; Shimizu, Hiroyuki; Arai, Takeshi; Izumiyama, Kou; Beppu, Moroe

    2008-01-01

    Triangle fibrocartilage complex (TFCC) is very small and can be visualized in MRI. We compared image findings acquired by high-resolution MRI using a 47-mm-diameter microscopy coil with arthroscopic findings and reviewed the availability and possibility of application of both these techniques. The subjects were 16 patients who underwent arthroscopy of the radiocarpal joint and MRI for the diagnosis of pain in the ulnar wrist joint. Based on image evaluation, the impaired site was categorized as follows radius attachment, disc proper, triangular ligament (upper lamina), triangular ligament (lower lamina), lunate bone cartilage face, and triquete bone cartilage face; the findings of both techniques for impaired site around part 6 were compared. Joint morphology was assessed by the gradient-recalled echo (GRE) method with T2-weighted images, and the cartilage side was analyzed the fast SE (FSE) method with proton density-weighted image. Three orthopedic surgeons and 1 radiologist interpreted the results. The impaired site was verified in all 16 patients by high-resolution MRI using a microscopy coil. The MRI findings were as follows radius attachment in 2 patients, disc proper in 4, upper lamina in 7, lower lamina in 5, lunate bone cartilage face in 3, and triquete bone cartilage face in 0. The frequency of injury according to arthroscopic findings was as follows: radius attachment in 2 patients, disc proper in 4, lunate bone cartilage face in 6, and triquete bone cartilage face in 0. The sensibility/specificity of arthroscopic findings in comparison with MRI findings was as follows: radius attachment 100%/100%, disc proper 75%/91.7%, lunate bone cartilage face 50%/100%, and triquete bone cartilage face 0%/100%. Eight of 16 patients had depression of TFCC tone, and the sensibility/specificity of arthroscopic findings in comparison with MRI findings for the depression of site and TFCC tone was as follows: upper lamina 75%/87.5% and lower lamina 50%/87.5%. High

  18. Characterization of a tricationic trigonal bipyramidal iron(IV) cyanide complex, with a very high reduction potential, and its iron(II) and iron(III) congeners.

    Science.gov (United States)

    England, Jason; Farquhar, Erik R; Guo, Yisong; Cranswick, Matthew A; Ray, Kallol; Münck, Eckard; Que, Lawrence

    2011-04-04

    Currently, there are only a handful of synthetic S = 2 oxoiron(IV) complexes. These serve as models for the high-spin (S = 2) oxoiron(IV) species that have been postulated, and confirmed in several cases, as key intermediates in the catalytic cycles of a variety of nonheme oxygen activating enzymes. The trigonal bipyramidal complex [Fe(IV)(O)(TMG(3)tren)](2+) (1) was both the first S = 2 oxoiron(IV) model complex to be generated in high yield and the first to be crystallographically characterized. In this study, we demonstrate that the TMG(3)tren ligand is also capable of supporting a tricationic cyanoiron(IV) unit, [Fe(IV)(CN)(TMG(3)tren)](3+) (4). This complex was generated by electrolytic oxidation of the high-spin (S = 2) iron(II) complex [Fe(II)(CN)(TMG(3)tren)](+) (2), via the S = 5/2 complex [Fe(III)(CN)(TMG(3)tren)](2+) (3), the progress of which was conveniently monitored by using UV-vis spectroscopy to follow the growth of bathochromically shifting ligand-to-metal charge transfer (LMCT) bands. A combination of X-ray absorption spectroscopy (XAS), Mössbauer and NMR spectroscopies was used to establish that 4 has a S = 0 iron(IV) center. Consistent with its diamagnetic iron(IV) ground state, extended X-ray absorption fine structure (EXAFS) analysis of 4 indicated a significant contraction of the iron-donor atom bond lengths, relative to those of the crystallographically characterized complexes 2 and 3. Notably, 4 has an Fe(IV/III) reduction potential of ∼1.4 V vs Fc(+/o), the highest value yet observed for a monoiron complex. The relatively high stability of 4 (t(1/2) in CD(3)CN solution containing 0.1 M KPF(6) at 25 °C ≈ 15 min), as reflected by its high-yield accumulation via slow bulk electrolysis and amenability to (13)C NMR at -40 °C, highlights the ability of the sterically protecting, highly basic peralkylguanidyl donors of the TMG(3)tren ligand to support highly charged high-valent complexes.

  19. Fast and low-temperature sintering of silver complex using oximes as a potential reducing agent for solution-processible, highly conductive electrodes

    International Nuclear Information System (INIS)

    Yoo, Ji Hoon; Park, Su Bin; Kim, Ji Man; Han, Dae Sang; Chae, Jangwoo; Kwak, Jeonghun

    2014-01-01

    Highly conductive, solution-processed silver thin-films were obtained at a low sintering temperature of 100 °C in a short sintering time of 10 min by introducing oximes as a potential reductant for silver complex. The thermal properties and reducibility of three kinds of oximes, acetone oxime, 2-butanone oxime, and one dimethylglyoxime, were investigated as a reducing agent, and we found that the thermal decomposition product of oximes (ketones) accelerated the conversion of silver complex into highly conductive silver at low sintering temperature in a short time. Using the acetone oxime, the silver thin-film exhibited the lowest surface resistance (0.91 Ω sq −1 ) compared to those sing other oximes. The silver thin-film also showed a high reflectance of 97.8%, which is comparable to evaporated silver films. We also demonstrated inkjet printed silver patterns with the oxime-added silver complex inks. (paper)

  20. Ultra-low fouling and high antibody loading zwitterionic hydrogel coatings for sensing and detection in complex media.

    Science.gov (United States)

    Chou, Ying-Nien; Sun, Fang; Hung, Hsiang-Chieh; Jain, Priyesh; Sinclair, Andrew; Zhang, Peng; Bai, Tao; Chang, Yung; Wen, Ten-Chin; Yu, Qiuming; Jiang, Shaoyi

    2016-08-01

    For surface-based diagnostic devices to achieve reliable biomarker detection in complex media such as blood, preventing nonspecific protein adsorption and incorporating high loading of biorecognition elements are paramount. In this work, a novel method to produce nonfouling zwitterionic hydrogel coatings was developed to achieve these goals. Poly(carboxybetaine acrylamide) (pCBAA) hydrogel thin films (CBHTFs) prepared with a carboxybetaine diacrylamide crosslinker (CBAAX) were coated on gold and silicon dioxide surfaces via a simple spin coating process. The thickness of CBHTFs could be precisely controlled between 15 and 150nm by varying the crosslinker concentration, and the films demonstrated excellent long-term stability. Protein adsorption from undiluted human blood serum onto the CBHTFs was measured with surface plasmon resonance (SPR). Hydrogel thin films greater than 20nm exhibited ultra-low fouling (crosslinked, purely zwitterionic, carboxybetaine thin film hydrogel (CBHTF) coating platform. The CBHTF on a hydrophilic surface demonstrated long-term stability. By varying the crosslinker content in the spin-coated hydrogel solution, the thickness of CBHTFs could be precisely controlled. Optimized CBHTFs exhibited ultra-low nonspecific protein adsorption below 5ng/cm(2) measured by a surface plasmon resonance (SPR) sensor, and their 3D architecture allowed antibody loading to reach 693ng/cm(2). This strategy provides a facile method to modify SPR biosensor chips with an advanced nonfouling material, and can be potentially expanded to a variety of implantable medical devices and diagnostic biosensors. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  1. Simultaneous quantification of iodine and high valent metals via ICP-MS under acidic conditions in complex matrices.

    Science.gov (United States)

    Brix, Kristina; Hein, Christina; Sander, Jonas Michael; Kautenburger, Ralf

    2017-05-15

    The determination of iodine as a main fission product (especially the isotopes I-129 and I-131) of stored HLW in a disposal beside its distribution as a natural ingredient of many different products like milk, food and seawater is a matter of particular interest. The simultaneous ICP-MS determination of iodine as iodide together with other elements (especially higher valent metal ions) relevant for HLW is analytically very problematic. A reliable ICP-MS quantification of iodide must be performed at neutral or alkaline conditions in contrast to the analysis of metal ions which are determined in acidic pH ranges. Herein, we present a method to solve this problem by changing the iodine speciation resulting in an ICP-MS determination of iodide as iodate. The oxidation from iodide to iodate with sodium hypochlorite at room temperature is a fast and convenient method with flexible reaction time, from one hour up to three days, thus eliminating the disadvantages of quantifying iodine species via ICP-MS. In the analysed concentration range of iodine (0.1-100µgL -1 ) we obtain likely quantitative recovery rates for iodine between 91% and 102% as well as relatively low RSD values (0.3-4.0%). As an additional result, it is possible to measure different other element species in parallel together with the generated iodate, even high valent metals (europium and uranium beside caesium) at recovery rates in the same order of magnitude (93-104%). In addition, the oxidation process operates above pH 7 thus offering a wide pH range for sample preparation. Even analytes in complex matrices, like 5M saline (NaCl) solution or artificial cement pore water (ACW) can be quantified with this robust sample preparation method. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. High-resolution crystal structures of Drosophila melanogaster angiotensin-converting enzyme in complex with novel inhibitors and antihypertensive drugs.

    Science.gov (United States)

    Akif, Mohd; Georgiadis, Dimitris; Mahajan, Aman; Dive, Vincent; Sturrock, Edward D; Isaac, R Elwyn; Acharya, K Ravi

    2010-07-16

    Angiotensin I-converting enzyme (ACE), one of the central components of the renin-angiotensin system, is a key therapeutic target for the treatment of hypertension and cardiovascular disorders. Human somatic ACE (sACE) has two homologous domains (N and C). The N- and C-domain catalytic sites have different activities toward various substrates. Moreover, some of the undesirable side effects of the currently available and widely used ACE inhibitors may arise from their targeting both domains leading to defects in other pathways. In addition, structural studies have shown that although both these domains have much in common at the inhibitor binding site, there are significant differences and these are greater at the peptide binding sites than regions distal to the active site. As a model system, we have used an ACE homologue from Drosophila melanogaster (AnCE, a single domain protein with ACE activity) to study ACE inhibitor binding. In an extensive study, we present high-resolution structures for native AnCE and in complex with six known antihypertensive drugs, a novel C-domain sACE specific inhibitor, lisW-S, and two sACE domain-specific phosphinic peptidyl inhibitors, RXPA380 and RXP407 (i.e., nine structures). These structures show detailed binding features of the inhibitors and highlight subtle changes in the orientation of side chains at different binding pockets in the active site in comparison with the active site of N- and C-domains of sACE. This study provides information about the structure-activity relationships that could be utilized for designing new inhibitors with improved domain selectivity for sACE. 2010 Elsevier Ltd. All rights reserved.

  3. High temperature-induced phase transitions in Sr{sub 2}GdRuO{sub 6} complex perovskite

    Energy Technology Data Exchange (ETDEWEB)

    Triana, C.A.; Corredor, L.T.; Landinez Tellez, D.A. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, Bogota D.C. A.A. 14490 (Colombia); Roa-Rojas, J., E-mail: jroar@unal.edu.co [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, Bogota D.C. A.A. 14490 (Colombia)

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer Crystal structure, thermal expansion and phase transitions at high-temperature of Sr{sub 2}GdRuO{sub 6} perovskite has been investigated. Black-Right-Pointing-Pointer X-ray diffraction pattern at 298 K of Sr{sub 2}GdRuO{sub 6} corresponds to monoclinic perovskite-type structure with P2{sub 1}/n space group. Black-Right-Pointing-Pointer Evolution of X-ray diffraction patterns at high-temperature shows that the Sr{sub 2}GdRuO{sub 6} perovskite suffers two-phase transitions. Black-Right-Pointing-Pointer At 573 K the X-ray diffraction pattern of Sr{sub 2}GdRuO{sub 6} corresponds to monoclinic perovskite-type structure with I2/m space group. Black-Right-Pointing-Pointer At 1273 K the Sr{sub 2}GdRuO{sub 6} perovskite suffers a complete phase-transition from monoclinic I2/m (no. 12) to tetragonal I4/m (no. 87). -- Abstract: The crystal structure behavior of the Sr{sub 2}GdRuO{sub 6} complex perovskite at high-temperature has been investigated over a wide temperature range between 298 K {<=} T {<=} 1273 K. Measurements of X-ray diffraction at room-temperature and Rietveld analysis of the experimental patterns show that this compound crystallizes in a monoclinic perovskite-like structure, which belongs to the P2{sub 1}/n (no. 14) space group and 1:1 ordered arrangement of Ru{sup 5+} and Gd{sup 3+} cations over the six-coordinate M sites. Experimental lattice parameters were obtained to be a =5.8103(5) Angstrom-Sign , b =5.8234(1) Angstrom-Sign , c =8.2193(9) Angstrom-Sign , V = 278.11(2) Angstrom-Sign {sup 3} and angle {beta} = 90.310(5) Degree-Sign . The high-temperature analysis shows the occurrence of two-phase transitions on this material. First, at 573 K it adopts a monoclinic perovskite-type structure with I2/m (no. 12) space group with lattice parameters a = 5.8275(6) Angstrom-Sign , b = 5.8326(3) Angstrom-Sign , c = 8.2449(2) Angstrom-Sign , V = 280.31(3) Angstrom-Sign {sup 3} and angle {beta} = 90.251(3) Degree-Sign . Close

  4. Design Implementation and Testing of a VLSI High Performance ASIC for Extracting the Phase of a Complex Signal

    National Research Council Canada - National Science Library

    Altmeyer, Ronald

    2002-01-01

    This thesis documents the research, circuit design, and simulation testing of a VLSI ASIC which extracts phase angle information from a complex sampled signal using the arctangent relationship: (phi=tan/-1 (Q/1...

  5. Disdrometer-based C-Band Radar Quantitative Precipitation Estimation (QPE) in a highly complex terrain region in tropical Colombia.

    Science.gov (United States)

    Sepúlveda, J.; Hoyos Ortiz, C. D.

    2017-12-01

    An adequate quantification of precipitation over land is critical for many societal applications including agriculture, hydroelectricity generation, water supply, and risk management associated with extreme events. The use of rain gauges, a traditional method for precipitation estimation, and an excellent one, to estimate the volume of liquid water during a particular precipitation event, does not allow to fully capture the highly spatial variability of the phenomena which is a requirement for almost all practical applications. On the other hand, the weather radar, an active remote sensing sensor, provides a proxy for rainfall with fine spatial resolution and adequate temporary sampling, however, it does not measure surface precipitation. In order to fully exploit the capabilities of the weather radar, it is necessary to develop quantitative precipitation estimation (QPE) techniques combining radar information with in-situ measurements. Different QPE methodologies are explored and adapted to local observations in a highly complex terrain region in tropical Colombia using a C-Band radar and a relatively dense network of rain gauges and disdrometers. One important result is that the expressions reported in the literature for extratropical locations are not representative of the conditions found in the tropical region studied. In addition to reproducing the state-of-the-art techniques, a new multi-stage methodology based on radar-derived variables and disdrometer data is proposed in order to achieve the best QPE possible. The main motivation for this new methodology is based on the fact that most traditional QPE methods do not directly take into account the different uncertainty sources involved in the process. The main advantage of the multi-stage model compared to traditional models is that it allows assessing and quantifying the uncertainty in the surface rain rate estimation. The sub-hourly rainfall estimations using the multi-stage methodology are realistic

  6. Detection of LGI1 and CASPR2 antibodies with a commercial cell-based assay in patients with very high VGKC-complex antibody levels.

    Science.gov (United States)

    Yeo, T; Chen, Z; Chai, J Y H; Tan, K

    2017-07-15

    The presence of VGKC-complex antibodies, without LGI1/CASPR2 antibodies, as a standalone marker for neurological autoimmunity remains controversial. Additionally, the lack of an unequivocal VGKC-complex antibody cut-off level defining neurological autoimmunity makes it important to test for monospecific antibodies. We aim to determine the performance characteristics of a commercial assay (Euroimmun, Lübeck, Germany) for LGI1/CASPR2 antibody detection in patients with very high VGKC-complex antibody levels and report their clinico-serological associations. We identified 8 patients in our cohort with the highest VGKC-complex antibody levels (median 2663.5pM, range 933-6730pM) with VGKC-complex antibody related syndromes (Group A). Two other groups were identified; 1 group with suspected neuronal surface antibody syndromes and negative for VGKC-complex antibodies (Group B, n=8), and another group with cerebellar ataxia and negative for onconeuronal antibodies (Group C, n=8). Seven out of 8 patients (87.5%) in Group A had LGI1 and/or CASPR2 antibodies. One Group B patient had LGI1 antibodies but was negative on re-testing with a live cell assay. No Group C patients had monospecific antibodies. Inter-rater reliability was high; combining Groups A and B patients, the kappa statistic was 0.87 and 1.0 for LGI1 and CASPR2 antibodies respectively. We demonstrated that a high proportion of patients with very high VGKC-complex antibody levels and relevant clinical syndromes have LGI1 and/or CASPR2 antibodies detected by the commercial assay. Our findings lend support to the use of the assay for rapid and reliable detection of LGI1 and CASPR2 antibodies. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. High stability and biological activity of the copper(II) complexes of alloferon 1 analogues containing tryptophan.

    Science.gov (United States)

    Kadej, Agnieszka; Kuczer, Mariola; Czarniewska, Elżbieta; Urbański, Arkadiusz; Rosiński, Grzegorz; Kowalik-Jankowska, Teresa

    2016-10-01

    Copper(II) complex formation processes between the alloferon 1 (Allo1) (HGVSGHGQHGVHG) analogues where the tryptophan residue is introducing in the place His residue H1W, H6W, H9W and H12W have been studied by potentiometric, UV-visible, CD and EPR spectroscopic, and MS methods. For all analogues of alloferon 1 complex speciation have been obtained for a 1:1 metal-to-ligand molar ratio and 2:1 of H1W because of precipitation at higher (2:1, 3:1 and 4:1) ratios. At physiological pH7.4 and a 1:1 metal-to-ligand molar ratio the tryptophan analogues of alloferon 1 form the CuH -1 L and/or CuH -2 L complexes with the 4N binding mode. The introduction of tryptophan in place of histidine residues changes the distribution diagram of the complexes formed with the change of pH and their stability constants compared to the respective substituted alanine analogues of alloferon 1. The CuH -1 L, CuH -2 L and CuH -3 L complexes of the tryptophan analogues are more stable from 1 to 5 log units in comparison to those of the alanine analogues. This stabilization of the complexes may result from cation(Cu(II))-π and indole/imidazole ring interactions. The induction of apoptosis in vivo, in Tenebrio molitor cells by the ligands and their copper(II) complexes at pH7.4 was studied. The biological results show that copper(II) ions in vivo did not cause any apparent apoptotic features. The most active were the H12W peptide and Cu(II)-H12W complex formed at pH7.4. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. A New Bis(aquated) High Relaxivity Mn(II) Complex as an Alternative to Gd(III)-Based MRI Contrast Agent.

    Science.gov (United States)

    Phukan, Bedika; Mukherjee, Chandan; Goswami, Upashi; Sarmah, Amrit; Mukherjee, Subhajit; Sahoo, Suban K; Moi, Sankar Ch

    2018-03-05

    Disclosed here are a piperazine, a pyridine, and two carboxylate groups containing pentadentate ligand H 2 pmpa and its corresponding water-soluble Mn(II) complex (1). DFT-based structural optimization implied that the complex had pentagonal bipyramidal geometry where the axial positions were occupied by two water molecules, and the equatorial plane was constituted by the ligand ON 3 O donor set. Thus, a bis(aquated) disc-like Mn(II) complex has been synthesized. The complex showed higher stability compared with Mn(II)-EDTA complex [log K MnL = 14.29(3)] and showed a very high r 1 relaxivity value of 5.88 mM -1 s -1 at 1.41 T, 25 °C, and pH = 7.4. The relaxivity value remained almost unaffected by the pH of the medium in the range of 6-10. Although the presence of 200 equiv of fluoride and bicarbonate anions did not affect the relaxivity value appreciably, an increase in the value was noticed in the presence of phosphate anion due to slow tumbling of the complex. Cell viability measurements, as well as phantom MR images using clinical MRI imager, consolidated the possible candidature of complex 1 as a positive contrast agent.

  9. Malaria Parasite CLAG3, a Protein Linked to Nutrient Channels, Participates in High Molecular Weight Membrane-Associated Complexes in the Infected Erythrocyte.

    Directory of Open Access Journals (Sweden)

    Kayvan Zainabadi

    Full Text Available Malaria infected erythrocytes show increased permeability to a number of solutes important for parasite growth as mediated by the Plasmodial Surface Anion Channel (PSAC. The P. falciparum clag3 genes have recently been identified as key determinants of PSAC, though exactly how they contribute to channel function and whether additional host/parasite proteins are required remain unknown. To begin to answer these questions, I have taken a biochemical approach. Here I have used an epitope-tagged CLAG3 parasite to perform co-immunoprecipitation experiments using membrane fractions of infected erythrocytes. Native PAGE and mass spectrometry studies reveal that CLAG3 participate in at least three different high molecular weight complexes: a ~720kDa complex consisting of CLAG3, RHOPH2 and RHOPH3; a ~620kDa complex consisting of CLAG3 and RHOPH2; and a ~480kDa complex composed solely of CLAG3. Importantly, these complexes can be found throughout the parasite lifecycle but are absent in untransfected controls. Extracellular biotin labeling and protease susceptibility studies localize the 480kDa complex to the erythrocyte membrane. This complex, likely composed of a homo-oligomer of 160kDa CLAG3, may represent a functional subunit, possibly the pore, of PSAC.

  10. Dissecting the salt dependence of the Tus-Ter protein-DNA complexes by high-throughput differential scanning fluorimetry of a GFP-tagged Tus.

    Science.gov (United States)

    Moreau, Morgane J J; Schaeffer, Patrick M

    2013-12-01

    The analysis of the salt dependence of protein-DNA complexes provides useful information about the non-specific electrostatic and sequence-specific parameters driving complex formation and stability. The differential scanning fluorimetry of GFP-tagged protein (DSF-GTP) assay has been geared with an automatic Tm peak recognition system and was applied for the high-throughput (HT) determination of salt-induced effects on the GFP-tagged DNA replication protein Tus in complex with various Ter and Ter-lock sequences. The system was designed to generate two-dimensional heat map profiles of Tus-GFP protein stability allowing for a comparative study of the effect of eight increasing salt concentrations on ten different Ter DNA species at once. The data obtained with the new HT DSF-GTP allowed precise dissection of the non-specific electrostatic and sequence-specific parameters driving Tus-Ter and Tus-Ter-lock complex formation and stability. The major factor increasing the thermal resistance of Tus-Ter-lock complexes in high-salt is the formation of the TT-lock, e.g. a 10-fold higher Kspe was obtained for Tus-GFP:Ter-lockB than for Tus-GFP:TerB. It is anticipated that the system can be easily adapted for the study of other protein-DNA complexes.

  11. A Simple and High Performing Rate Control Initialization Method for H.264 AVC Coding Based on Motion Vector Map and Spatial Complexity at Low Bitrate

    Directory of Open Access Journals (Sweden)

    Yalin Wu

    2014-01-01

    Full Text Available The temporal complexity of video sequences can be characterized by motion vector map which consists of motion vectors of each macroblock (MB. In order to obtain the optimal initial QP (quantization parameter for the various video sequences which have different spatial and temporal complexities, this paper proposes a simple and high performance initial QP determining method based on motion vector map and temporal complexity to decide an initial QP in given target bit rate. The proposed algorithm produces the reconstructed video sequences with outstanding and stable quality. For any video sequences, the initial QP can be easily determined from matrices by target bit rate and mapped spatial complexity using proposed mapping method. Experimental results show that the proposed algorithm can show more outstanding objective and subjective performance than other conventional determining methods.

  12. Extending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations

    Energy Technology Data Exchange (ETDEWEB)

    Bylaska, Eric J., E-mail: Eric.Bylaska@pnnl.gov [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352 (United States); Weare, Jonathan Q., E-mail: weare@uchicago.edu [Department of Mathematics, University of Chicago, Chicago, Illinois 60637 (United States); Weare, John H., E-mail: jweare@ucsd.edu [Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093 (United States)

    2013-08-21

    Parallel in time simulation algorithms are presented and applied to conventional molecular dynamics (MD) and ab initio molecular dynamics (AIMD) models of realistic complexity. Assuming that a forward time integrator, f (e.g., Verlet algorithm), is available to propagate the system from time t{sub i} (trajectory positions and velocities x{sub i} = (r{sub i}, v{sub i})) to time t{sub i+1} (x{sub i+1}) by x{sub i+1} = f{sub i}(x{sub i}), the dynamics problem spanning an interval from t{sub 0}…t{sub M} can be transformed into a root finding problem, F(X) = [x{sub i} − f(x{sub (i−1})]{sub i} {sub =1,M} = 0, for the trajectory variables. The root finding problem is solved using a variety of root finding techniques, including quasi-Newton and preconditioned quasi-Newton schemes that are all unconditionally convergent. The algorithms are parallelized by assigning a processor to each time-step entry in the columns of F(X). The relation of this approach to other recently proposed parallel in time methods is discussed, and the effectiveness of various approaches to solving the root finding problem is tested. We demonstrate that more efficient dynamical models based on simplified interactions or coarsening time-steps provide preconditioners for the root finding problem. However, for MD and AIMD simulations, such preconditioners are not required to obtain reasonable convergence and their cost must be considered in the performance of the algorithm. The parallel in time algorithms developed are tested by applying them to MD and AIMD simulations of size and complexity similar to those encountered in present day applications. These include a 1000 Si atom MD simulation using Stillinger-Weber potentials, and a HCl + 4H{sub 2}O AIMD simulation at the MP2 level. The maximum speedup ((serial execution time)/(parallel execution time) ) obtained by parallelizing the Stillinger-Weber MD simulation was nearly 3.0. For the AIMD MP2 simulations, the algorithms achieved speedups of up

  13. Extending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations.

    Science.gov (United States)

    Bylaska, Eric J; Weare, Jonathan Q; Weare, John H

    2013-08-21

    Parallel in time simulation algorithms are presented and applied to conventional molecular dynamics (MD) and ab initio molecular dynamics (AIMD) models of realistic complexity. Assuming that a forward time integrator, f (e.g., Verlet algorithm), is available to propagate the system from time ti (trajectory positions and velocities xi = (ri, vi)) to time ti + 1 (xi + 1) by xi + 1 = fi(xi), the dynamics problem spanning an interval from t0[ellipsis (horizontal)]tM can be transformed into a root finding problem, F(X) = [xi - f(x(i - 1)]i = 1, M = 0, for the trajectory variables. The root finding problem is solved using a variety of root finding techniques, including quasi-Newton and preconditioned quasi-Newton schemes that are all unconditionally convergent. The algorithms are parallelized by assigning a processor to each time-step entry in the columns of F(X). The relation of this approach to other recently proposed parallel in time methods is discussed, and the effectiveness of various approaches to solving the root finding problem is tested. We demonstrate that more efficient dynamical models based on simplified interactions or coarsening time-steps provide preconditioners for the root finding problem. However, for MD and AIMD simulations, such preconditioners are not required to obtain reasonable convergence and their cost must be considered in the performance of the algorithm. The parallel in time algorithms developed are tested by applying them to MD and AIMD simulations of size and complexity similar to those encountered in present day applications. These include a 1000 Si atom MD simulation using Stillinger-Weber potentials, and a HCl + 4H2O AIMD simulation at the MP2 level. The maximum speedup (serial execution/timeparallel execution time) obtained by parallelizing the Stillinger-Weber MD simulation was nearly 3.0. For the AIMD MP2 simulations, the algorithms achieved speedups of up to 14.3. The parallel in time algorithms can be implemented in a

  14. Extending molecular simulation time scales: Parallel in time integrations for high-level quantum chemistry and complex force representations

    International Nuclear Information System (INIS)

    Bylaska, Eric J.; Weare, Jonathan Q.; Weare, John H.

    2013-01-01

    Parallel in time simulation algorithms are presented and applied to conventional molecular dynamics (MD) and ab initio molecular dynamics (AIMD) models of realistic complexity. Assuming that a forward time integrator, f (e.g., Verlet algorithm), is available to propagate the system from time t i (trajectory positions and velocities x i = (r i , v i )) to time t i+1 (x i+1 ) by x i+1 = f i (x i ), the dynamics problem spanning an interval from t 0 …t M can be transformed into a root finding problem, F(X) = [x i − f(x (i−1 )] i =1,M = 0, for the trajectory variables. The root finding problem is solved using a variety of root finding techniques, including quasi-Newton and preconditioned quasi-Newton schemes that are all unconditionally convergent. The algorithms are parallelized by assigning a processor to each time-step entry in the columns of F(X). The relation of this approach to other recently proposed parallel in time methods is discussed, and the effectiveness of various approaches to solving the root finding problem is tested. We demonstrate that more efficient dynamical models based on simplified interactions or coarsening time-steps provide preconditioners for the root finding problem. However, for MD and AIMD simulations, such preconditioners are not required to obtain reasonable convergence and their cost must be considered in the performance of the algorithm. The parallel in time algorithms developed are tested by applying them to MD and AIMD simulations of size and complexity similar to those encountered in present day applications. These include a 1000 Si atom MD simulation using Stillinger-Weber potentials, and a HCl + 4H 2 O AIMD simulation at the MP2 level. The maximum speedup ((serial execution time)/(parallel execution time) ) obtained by parallelizing the Stillinger-Weber MD simulation was nearly 3.0. For the AIMD MP2 simulations, the algorithms achieved speedups of up to 14.3. The parallel in time algorithms can be implemented in a

  15. High-resolution electron spectroscopy of lanthanide (Ce, Pr, and Nd) complexes of cyclooctatetraene: the role of 4f electrons.

    Science.gov (United States)

    Kumari, Sudesh; Roudjane, Mourad; Hewage, Dilrukshi; Liu, Yang; Yang, Dong-Sheng

    2013-04-28

    Cerium, praseodymium, and neodymium complexes of 1,3,5,7-cyclooctatetraene (COT) complexes were produced in a laser-vaporization metal cluster source and studied by pulsed-field ionization zero electron kinetic energy spectroscopy and quantum chemical calculations. The computations included the second-order Møller-Plesset perturbation theory, the coupled cluster method with single, double, and perturbative triple excitations, and the state-average complete active space self-consistent field method. The spectrum of each complex exhibits multiple band systems and is assigned to ionization of several low-energy electronic states of the neutral complex. This observation is different from previous studies of M(COT) (M = Sc, Y, La, and Gd), for which a single band system was observed. The presence of the multiple low-energy electronic states is caused by the splitting of the partially filled lanthanide 4f orbitals in the ligand field, and the number of the low-energy states increases rapidly with increasing number of the metal 4f electrons. On the other hand, the 4f electrons have a small effect on the geometries and vibrational frequencies of these lanthanide complexes.

  16. Successful Characterization and Remedial Contour of Highly Contaminated Mercury Soil at the Y-12 National Security Complex - 13593

    Energy Technology Data Exchange (ETDEWEB)

    White, Aaron; Rigas, Michael [U.S. Department of Energy Oak Ridge Operations, Oak Ridge, TN 37830 (United States); Birchfield, Joseph W. III [1528 Paxton Drive Knoxville, TN 37918 (United States)

    2013-07-01

    An area known as the 81-10 pad within the footprint of the Y-12 National Security Complex, suspected to be heavily contaminated with mercury, was slated for characterization in support of a Federal Facilities Agreement (FFA) milestone to be accomplished by September 30, 2012. A full remedial design report (RDR) required the soil in Exposure Unit -9 (EU-9) to be fully characterized for a number of contaminates of concern including mercury. The goal of this characterization effort was to determine what soil, if any, would need to be removed for the protection of industrial workers and impacts to the surface and ground water. Funding for this project was made available using buy-back scope under the American Recovery and Reinvestment Act (ARRA). The EU-9 soil unit involved 3 different classifications which were determined as follows: Class 1: Known to have been impacted, contamination is likely; Class 2: Suspected to have been impacted, contamination is unknown; Class 3: Area not known to have been impacted, contamination unlikely. Due to various sampling and analysis events since the 1980's, significant mercury contamination was expected under the concrete pad of an area known as 81-10. Mercury contamination outside of the boundary of this pad within the EU-9 footprint was not known and therefore an original planned estimate of 1,461 cubic meters of material were expected to be heavily contaminated with mercury requiring removal, treatment and disposal. Through the use of a highly effective nature and extent sampling and analysis design that involved a hybrid of statistically-based and judgmental sampling, the actual remedial contour requiring removal was approximately 717 cubic meters, roughly 12% of the original estimate. This characterization approach was executed in full compliance with the Record of Decision (ROD) [1] documents that were agreed upon by the U.S. Department of Energy, Environmental Protection Agency and Tennessee Department of Environment and

  17. The high water solubility of inclusion complex of taxifolin-γ-CD prepared and characterized by the emulsion solvent evaporation and the freeze drying combination method.

    Science.gov (United States)

    Zu, Yuangang; Wu, Weiwei; Zhao, Xiuhua; Li, Yong; Zhong, Chen; Zhang, Yin

    2014-12-30

    This study selected γ-cyclodextrin (γ-CD) as the inclusion material and prepared inclusion complex of taxifolin-γ-CD by the emulsion solvent evaporation and the freeze drying combination method to achieve the improvement of the solubility and oral bioavailability of taxifolin. We selected ethyl acetate as the oil phase, deionized water as the water phase. The taxifolin emulsion was prepared using adjustable speed homogenate machine in the process of this experiment, whose particle size was related to the concentration of taxifolin solution, the volume ratio of water phase to oil phase, the speed and time of homogenate. We knew through the single-factor test that, the optimum conditions were: the concentration of taxifolin solution was 40 mg/ml, the volume ratio of water phase to oil phase was 1.5, the speed of homogenate was 5,000 rpm, the homogenate time was 11 min. Taxifolin emulsion with a MPS of 142.5 nm was obtained under the optimum conditions, then the high-concentration taxifolin solution (3mg/ml) was obtained by the rotary evaporation process. Finally, the inclusion complex of taxifolin-γ-CD was prepared by vacuum freeze-dry. The characteristics of the inclusion complex of taxifolin-γ-CD were analyzed using SEM, FTIR, XRD, DSC, and TG. The FTIR results analyzed the interaction of taxifolin and γ-CD and determined the molecular structure of the inclusion complex of taxifolin-γ-CD. The analysis results of XRD, DSC and TG indicated that the inclusion complex of taxifolin-γ-CD was obtained and showed significantly different characteristics with taxifolin. In addition, dissolving capability test, antioxidant capacity test, solvent residue test were also carried out. The experimental datas showed that the solubility of inclusion complex of taxifolin-γ-CD at 25°C and 37°C were about 18.5 times and 19.8 times of raw taxifolin, the dissolution rate of inclusion complex of taxifolin-γ-CD were about 2.84 times of raw taxifolin, the bioavailability of

  18. Studies on electronic spectrum and electron spin resonance of vanadium (IV) complexes with organophosphorus compounds and high molecular weight amines

    International Nuclear Information System (INIS)

    Sato, Taichi; Nakamura, Takato

    1981-01-01

    In the extraction of vanadium (IV) from aqueous solutions containing hydrochloric acid and/or a mixture of hydrochloric acid and lithium chloride by bis(2-ethylhexyl) hydrogenphosphate (DEHPA; HX), trioctylmethylammonium chloride (Aliquat-336), trioctylamine (TOA), trioctylphosphine oxide (TOPO) and tributyl phosphate (TBP), the complexes formed in the organic phases have been examined by spectrophotometry and electron spin resonance spectroscopy. It is found that in the extraction by DEHPA, the vanadium in the organic phase exists as the monomeric species, VO(X 2 H) 2 , or the polymeric one, (VOX 2 )sub(n), and that in the extractions by Aliquat-336, TOA, TOPO, and TBP, tetravalent vanadium complexes are stable in the organic phases extracted from a mixed solution of hydrochloric acid and lithium chloride, while complexes containing pentavalent vanadium and VOV 4+ ions are formed in the organic phases extracted from hydrochloric acid solutions. (author)

  19. The Highly Conserved COPII Coat Complex Sorts Cargo from the Endoplasmic Reticulum and Targets It to the Golgi

    OpenAIRE

    Lord, Christopher; Ferro-Novick, Susan; Miller, Elizabeth A.

    2013-01-01

    Protein egress from the endoplasmic reticulum (ER) is driven by a conserved cytoplasmic coat complex called the COPII coat. The COPII coat complex contains an inner shell (Sec23/Sec24) that sorts cargo into ER-derived vesicles and an outer cage (Sec13/Sec31) that leads to coat polymerization. Once released from the ER, vesicles must tether to and fuse with the target membrane to deliver their protein and lipid contents. This delivery step also depends on the COPII coat, with coat proteins bin...

  20. Highly specific ''sensing'' of tryptophan by a luminescent europium(III) complex

    Energy Technology Data Exchange (ETDEWEB)

    Stubenrauch, Jan A.; Mevissen, Christian; Schulte, Marie F.; Bochenek, Steffen; Albrecht, Markus [RWTH Univ. Aachen (Germany). Inst. fuer Organische Chemie; Subramanian, Palani S. [Central Salt and Marine Chemicals, Research Institute (CSRI), Gujarat (India)

    2016-07-01

    The europium(III) complex 1-Cl{sub 3} (S,S-2,2{sup '}-(((1,10-phenanthroline-2,9-diyl)bis(methanylylidene))bis (azanylyliden e))bis(3-methylbutanamide)europiumtrichloride) undergoes, only in the presence of the amino acid tryptophan, a change of emission at 615 nm. In the presence of few equivalents of tryptophan, emission of the europium complex is enhanced while it disappears upon addition of large amounts. This behavior can be assigned to displacement of the sensitizing phenanthroline ligand of 1-Cl{sub 2} x Trp in the latter case.

  1. Scalable high-performance algorithm for the simulation of exciton-dynamics. Application to the light harvesting complex II in the presence of resonant vibrational modes

    DEFF Research Database (Denmark)

    Kreisbeck, Christoph; Kramer, Tobias; Aspuru-Guzik, Alán

    2014-01-01

    high-performance many-core platforms using the Open Compute Language (OpenCL). For the light-harvesting complex II (LHC II) found in spinach, the HEOM results deviate from predictions of approximate theories and clarify the time-scale of the transfer-process. We investigate the impact of resonantly...

  2. Two new species of sympatric Fergusonina flies (Diptera: Fergusoninidae) from bud galls on high elevation snow gums (Eucalyptus pauciflora Sieb. ex Spreng. complex) in the Australian Alps

    Science.gov (United States)

    Two species of Fergusonina Malloch fly, F. daviesae Nelson sp.n. and F. taylori Nelson sp.n. (Diptera: Fergusoninidae), are described from terminal leaf bud galls on high elevation snow gums (Eucalyptus pauciflora complex) in the Australian Alps. These species occur in sympatry at the six locations...

  3. A highly effective in vivo photothermal nanoplatform with dual imaging-guided therapy of cancer based on the charge reversal complex of dye and iron oxide

    NARCIS (Netherlands)

    Chang, Y.; Li, X.; Kong, X.; Li, Y.; Liu, X.; Zhang, Y.; Tu, L.; Xue, B.; Wu, F.; Cao, D.; Zhao, H.; Zhang, H.

    2015-01-01

    To enhance the treatment efficiency of photothermal therapy (PTT) with very little light-associated side effect, we have constructed a highly effective PTT nanoplatform for fluorescence and MRI dual imaging-guided PTT of cancer, based on IR806 dye and iron oxide complex functionalized with

  4. Complex three dimensional modelling of porous media using high performance computing and multi-scale incompressible approach

    Science.gov (United States)

    Martin, R.; Orgogozo, L.; Noiriel, C. N.; Guibert, R.; Golfier, F.; Debenest, G.; Quintard, M.

    2013-05-01

    In the context of biofilm growth in porous media, we developed high performance computing tools to study the impact of biofilms on the fluid transport through pores of a solid matrix. Indeed, biofilms are consortia of micro-organisms that are developing in polymeric extracellular substances that are generally located at a fluid-solid interfaces like pore interfaces in a water-saturated porous medium. Several applications of biofilms in porous media are encountered for instance in bio-remediation methods by allowing the dissolution of organic pollutants. Many theoretical studies have been done on the resulting effective properties of these modified media ([1],[2], [3]) but the bio-colonized porous media under consideration are mainly described following simplified theoretical media (stratified media, cubic networks of spheres ...). Therefore, recent experimental advances have provided tomography images of bio-colonized porous media which allow us to observe realistic biofilm micro-structures inside the porous media [4]. To solve closure system of equations related to upscaling procedures in realistic porous media, we solve the velocity field of fluids through pores on complex geometries that are described with a huge number of cells (up to billions). Calculations are made on a realistic 3D sample geometry obtained by X micro-tomography. Cell volumes are coming from a percolation experiment performed to estimate the impact of precipitation processes on the properties of a fluid transport phenomena in porous media [5]. Average permeabilities of the sample are obtained from velocities by using MPI-based high performance computing on up to 1000 processors. Steady state Stokes equations are solved using finite volume approach. Relaxation pre-conditioning is introduced to accelerate the code further. Good weak or strong scaling are reached with results obtained in hours instead of weeks. Factors of accelerations of 20 up to 40 can be reached. Tens of geometries can now be

  5. Analysis of complex-type chromosome exchanges in astronauts' lymphocytes after space flight as a biomarker of high-LET exposure

    International Nuclear Information System (INIS)

    George, K.; Wu, H.; Willingham, V.; Cucinotta, F.A.

    2002-01-01

    High-linear energy transfer (LET) radiation is moreefficient in producing complex-type chromosome exchanges than sparsely ionizing radiation, and this can potentially be used as a biomarker of radiation quality. To investigate if complex chromosome exchanges are induced by the high-LET component of space radiation exposure, damage was assessed in astronauts' blood lymphocytes before and after longduration missions of 3-4 months. The frequency of simple translocations increased significantly for most of the crewmembers studied. However, there were few complex exchanges detected and only one crewmember had a significant increase after flight. It has been suggested that the yield of complex chromosome damage could be underestimated when analyzing metaphase cellscollected at one time point after irradiation, andanalysis of chemically-induced premature chromosomecondensation (PCC) may be more accurate since problems with complicated cell-cycle delays are avoided.However, in this case the yields of chromosome damage were similar for metaphase and PCC analysis of astronauts' lymphocytes. It appears that the use of complex-type exchanges as biomarkerof radiation quality in vivo after low-dose chronicexposure in mixed radiation fields is hampered by statistical uncertainties. (author)

  6. Regulation of hepatic branched-chain alpha-keto acid dehydrogenase complex in rats fed a high-fat diet

    Science.gov (United States)

    Objective: Branched-chain alpha-keto acid dehydrogenase complex (BCKDC) regulates branched-chain amino acid (BCAA) metabolism at the level of branched chain alpha-ketoacid (BCKA) catabolism. It has been demonstrated that the activity of hepatic BCKDC is markedly decreased in type 2 diabetic animal...

  7. Optical electromagnetic vector-field modeling for the accurate analysis of finite diffractive structures of high complexity

    DEFF Research Database (Denmark)

    Dridi, Kim; Bjarklev, Anders Overgaard

    1999-01-01

    An electromagnetic vector-field modle for design of optical components based on the finite-difference-time-domain method and radiation integrals in presented. Its ability to predict the optical electromagnetic dynamics in structures with complex material distribution is demonstrated. Theoretical...

  8. Effect of mono-unsaturated fatty acids versus complex carbohydrates on high-density lipoproteins in healthy men and women.

    NARCIS (Netherlands)

    Mensink, R.P.; Katan, M.B.

    1987-01-01

    The effects of two strictly controlled diets, one rich in complex carbohydrates, the other rich in olive oil, on serum lipids were studied in healthy men and women. Serum cholesterol levels fell on average by 0?44 mmol/l in the carbohydrate group and 0?46 mmol/l in the olive oil group. HDL

  9. Industrial complex in organizing the high-speed in-line construction of reactor compartments at the Balakovo NPP

    International Nuclear Information System (INIS)

    Maksakov, A.I.; Kovrigin, Yu.K.; Zhila, V.P.

    1986-01-01

    Qualitatively new technology of reactor compartment construction presupposing organizing of an industrial-mounting in-line complex is described. Maximum level of construction industrialization and noticeable reduction of construction duration are noted to be ensured by means of this technology

  10. Single conversion audio amplifier and DC-AC converters with high performance and low complexity control scheme

    DEFF Research Database (Denmark)

    Poulsen, Søren; Andersen, Michael Andreas E.

    2004-01-01

    This paper proposes a novel control topology for a mains isolated single conversion audio amplifier and DC-AC converters. The topology is made for use in audio applications, and differs from prior art in terms of significantly reduced distortion as well as lower system complexity. The topology can...

  11. Resting and Task-Modulated High-Frequency Brain Rhythms Measured by Scalp Encephalography in Infants with Tuberous Sclerosis Complex

    Science.gov (United States)

    Stamoulis, Catherine; Vogel-Farley, Vanessa; Degregorio, Geneva; Jeste, Shafali S.; Nelson, Charles A.

    2015-01-01

    The electrophysiological correlates of cognitive deficits in tuberous sclerosis complex (TSC) are not well understood, and modulations of neural dynamics by neuroanatomical abnormalities that characterize the disorder remain elusive. Neural oscillations (rhythms) are a fundamental aspect of brain function, and have dominant frequencies in a wide…

  12. REE distributions in a high-grade Archaean gneiss complex in Scotland: Implications for the genesis of ancient sialic crust

    International Nuclear Information System (INIS)

    Drury, S.A.

    1978-01-01

    Seventeen rocks from the Lewisian Gneiss of the Inner Hebrides of Scotland, which represent three distinct lithological types at granulite to greenschist facies of metamorphism show rare-earth element patterns which seem not to have been disturbed by their complex metamorphic history. Some indication of their origin can be obtained by simple geochemical models. (Auth.)

  13. Planar Perovskite Solar Cells with High Open-Circuit Voltage Containing a Supramolecular Iron Complex as Hole Transport Material Dopant.

    Science.gov (United States)

    Saygili, Yasemin; Turren-Cruz, Silver-Hamill; Olthof, Selina; Saes, Bartholomeus Wilhelmus Henricus; Pehlivan, Ilknur Bayrak; Saliba, Michael; Meerholz, Klaus; Edvinsson, Tomas; Zakeeruddin, Shaik M; Grätzel, Michael; Correa-Baena, Juan-Pablo; Hagfeldt, Anders; Freitag, Marina; Tress, Wolfgang

    2018-04-26

    In perovskite solar cells (PSCs), the most commonly used hole transport material (HTM) is spiro-OMeTAD, which is typically doped by metalorganic complexes, for example, based on Co, to improve charge transport properties and thereby enhance the photovoltaic performance of the device. In this study, we report a new hemicage-structured iron complex, 1,3,5-tris(5'-methyl-2,2'-bipyridin-5-yl)ethylbenzene Fe(III)-tris(bis(trifluoromethylsulfonyl)imide), as a p-type dopant for spiro-OMeTAD. The formal redox potential of this compound was measured as 1.29 V vs. the standard hydrogen electrode, which is slightly (20 mV) more positive than that of the commercial cobalt dopant FK209. Photoelectron spectroscopy measurements confirm that the iron complex acts as an efficient p-dopant, as evidenced in an increase of the spiro-OMeTAD work function. When fabricating planar PSCs with the HTM spiro-OMeTAD doped by 5 mol % of the iron complex, a power conversion efficiency of 19.5 % (AM 1.5G, 100 mW cm -2 ) is achieved, compared to 19.3 % for reference devices with FK209. Open circuit voltages exceeding 1.2 V at 1 sun and reaching 1.27 V at 3 suns indicate that recombination at the perovskite/HTM interface is low when employing this iron complex. This work contributes to recent endeavors to reduce recombination losses in perovskite solar cells. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. A high-confidence interaction map identifies SIRT1 as a mediator of acetylation of USP22 and the SAGA coactivator complex.

    Science.gov (United States)

    Armour, Sean M; Bennett, Eric J; Braun, Craig R; Zhang, Xiao-Yong; McMahon, Steven B; Gygi, Steven P; Harper, J Wade; Sinclair, David A

    2013-04-01

    Although many functions and targets have been attributed to the histone and protein deacetylase SIRT1, a comprehensive analysis of SIRT1 binding proteins yielding a high-confidence interaction map has not been established. Using a comparative statistical analysis of binding partners, we have assembled a high-confidence SIRT1 interactome. Employing this method, we identified the deubiquitinating enzyme ubiquitin-specific protease 22 (USP22), a component of the deubiquitinating module (DUBm) of the SAGA transcriptional coactivating complex, as a SIRT1-interacting partner. We found that this interaction is highly specific, requires the ZnF-UBP domain of USP22, and is disrupted by the inactivating H363Y mutation within SIRT1. Moreover, we show that USP22 is acetylated on multiple lysine residues and that alteration of a single lysine (K129) within the ZnF-UBP domain is sufficient to alter interaction of the DUBm with the core SAGA complex. Furthermore, USP22-mediated recruitment of SIRT1 activity promotes the deacetylation of individual SAGA complex components. Our results indicate an important role of SIRT1-mediated deacetylation in regulating the formation of DUBm subcomplexes within the larger SAGA complex.

  15. HSTLBO: A hybrid algorithm based on Harmony Search and Teaching-Learning-Based Optimization for complex high-dimensional optimization problems.

    Directory of Open Access Journals (Sweden)

    Shouheng Tuo

    Full Text Available Harmony Search (HS and Teaching-Learning-Based Optimization (TLBO as new swarm intelligent optimization algorithms have received much attention in recent years. Both of them have shown outstanding performance for solving NP-Hard optimization problems. However, they also suffer dramatic performance degradation for some complex high-dimensional optimization problems. Through a lot of experiments, we find that the HS and TLBO have strong complementarity each other. The HS has strong global exploration power but low convergence speed. Reversely, the TLBO has much fast convergence speed but it is easily trapped into local search. In this work, we propose a hybrid search algorithm named HSTLBO that merges the two algorithms together for synergistically solving complex optimization problems using a self-adaptive selection strategy. In the HSTLBO, both HS and TLBO are modified with the aim of balancing the global exploration and exploitation abilities, where the HS aims mainly to explore the unknown regions and the TLBO aims to rapidly exploit high-precision solutions in the known regions. Our experimental results demonstrate better performance and faster speed than five state-of-the-art HS variants and show better exploration power than five good TLBO variants with similar run time, which illustrates that our method is promising in solving complex high-dimensional optimization problems. The experiment on portfolio optimization problems also demonstrate that the HSTLBO is effective in solving complex read-world application.

  16. On the complex ageing characteristics of high-power LiFePO4/graphite battery cells cycled with high charge and discharge currents

    DEFF Research Database (Denmark)

    Groot, Jens; Swierczynski, Maciej Jozef; Stroe, Ana-Irina

    2015-01-01

    Li-ion batteries are known to undergo complex ageing processes, where the operating conditions have a profound and non-linear effect on both calendar life and cycle life. This is especially a challenge for the automotive industry, where the requirements on product lifetime and reliability...

  17. Complexation-mediated electromembrane extraction of highly polar basic drugs – a fundamental study with catecholamines in urine as model system

    DEFF Research Database (Denmark)

    Fernández, Elena; Vårdal, Linda; Vidal, Lorena

    2017-01-01

    Complexation-mediated electromembrane extraction (EME) of highly polar basic drugs (log P ... as complexation reagent, and selectively formed boronate esters by reversible covalent binding with the model analytes at the sample/SLM interface. This enhanced the mass transfer of the highly polar model analytes across the SLM, and EME of basic drugs with log P in the range -1 to -2 was shown for the first...... chromatography coupled to tandem mass spectrometry and evaluated for quantification of epinephrine and dopamine. Standard addition calibration was applied to a pooled human urine sample. Calibration curves using standards between 25 and 125 μg L-1 gave a high level of linearity with a correlation coefficient...

  18. Subtle spectral effects accompanying the assembly of bacteriochlorophylls into cyclic light harvesting complexes revealed by high-resolution fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rätsep, Margus, E-mail: margus.ratsep@ut.ee; Pajusalu, Mihkel, E-mail: mihkel.pajusalu@ut.ee; Linnanto, Juha Matti, E-mail: juha.matti.linnanto@ut.ee [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Freiberg, Arvi, E-mail: arvi.freiberg@ut.ee [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu, Estonia and Institute of Molecular and Cell Biology, University of Tartu, Riia 23, 51010 Tartu (Estonia)

    2014-10-21

    We have observed that an assembly of the bacteriochloropyll a molecules into B850 and B875 groups of cyclic bacterial light-harvesting complexes LH2 and LH1, respectively, results an almost total loss of the intra-molecular vibronic structure in the fluorescence spectrum, and simultaneously, an essential enhancement of its phonon sideband due to electron-phonon coupling. While the suppression of the vibronic coupling in delocalized (excitonic) molecular systems is predictable, as also confirmed by our model calculations, a boost of the electron-phonon coupling is rather unexpected. The latter phenomenon is explained by exciton self-trapping, promoted by mixing the molecular exciton states with charge transfer states between the adjacent chromophores in the tightly packed B850 and B875 arrangements. Similar, although less dramatic trends were noted for the light-harvesting complexes containing chlorophyll pigments.

  19. Synthesis of highly reactive polyisobutylene with FeCl3/ether complexes in hexane; kinetic and mechanistic studies

    KAUST Repository

    Kumar, Rajeev Ananda; De, Priyadarsi; Zheng, Bin; Huang, Kuo-Wei; Emert, Jack I.; Faust, Rudolf

    2015-01-01

    The kinetics and mechanism of the polymerization of isobutylene catalyzed by FeCl3·ether complexes in hexane at 0°C were investigated. The polymerization rates increased in the diisopropyl ether< 2-chloroethyl ethyl ether < bis(2-chloroethyl) ether order, attributed to electronic effects. The polymerization rates increased with increasing initiator and catalyst concentrations. The first order plots, however, deviated from the linear suggesting that the cation concentration decreases with time. The previously proposed mechanism is inadequate to explain this finding. The decrease in the polymerization rate with time is explained by the low solubility of the H+ROR′FeCl4 - complexes that precipitate during polymerization. Based on mechanistic studies the revised mechanism now also includes the equilibrium H+ROR′FeCl4 - ⇋ HCl + FeCl3·ROR′.

  20. Camphyl-based α-diimine palladium complexes: highly efficient precatalysts for direct arylation of thiazoles in open-air.

    Science.gov (United States)

    Chen, Fu-Min; Lu, Dong-Dong; Hu, Li-Qun; Huang, Ju; Liu, Feng-Shou

    2017-07-21

    Based on the strategy of the development of phosphine-free palladium-catalyzed direct C-H arylation, a series of camphyl-based α-diimine palladium complexes bearing sterically bulky substituents were synthesized and characterized. The palladium complexes were applied for the cross-coupling of thiazole derivatives with aryl bromides. The effect of the sterically bulky substituent on the N-aryl moiety as well as the reaction conditions was screened. Under the optimal protocols, a wide range of aryl bromides can be smoothly coupled with thiazoles in good to excellent yields in the presence of a low palladium loading of 0.2 mol% under open-air conditions.

  1. 1,2,4-Triazines in the Synthesis of Bipyridine Bisphenolate ONNO Ligands and Their Highly Luminescent Tetradentate Pt(II) Complexes for Solution-Processable OLEDs.

    Science.gov (United States)

    Pander, Piotr; Bulmer, Rachel; Martinscroft, Ross; Thompson, Stuart; Lewis, Frank W; Penfold, Thomas J; Dias, Fernando B; Kozhevnikov, Valery N

    2018-04-02

    This article describes a convenient method for the synthesis of ONNO-type tetradentate 6,6'-bis(2-phenoxy)-2,2'-bipyridine (bipyridine bisphenolate, BpyBph) ligands and their platinum(II) complexes. The methodology includes the synthesis of 1,2,4-triazine precursors followed by their transformation to functionalized pyridines by the Boger reaction. Two complementary routes employing 3,3'- and 5,5'-bis-triazines allow a modification of the central pyridine rings in different positions, which was exemplified by the introduction of cyclopentene rings. The new ligands were used to prepare highly luminescent ONNO-type Pt(II) complexes. The position of the cyclopentene rings significantly influences the solubility and photophysical properties of these complexes. Derivatives with closely positioned cyclopentene rings are soluble in organic solvents and proved to be the best candidate for solution-processable organic light-emitting devices (OLEDs), showing efficient single-dopant candlelight electroluminescence.

  2. Synthesis of New Silicon-linked Lanthanocene Complexes and Their High Catalytic Activity for Methyl Methacrylate Polymerization with Nanometric Sodium Hydride as Co-catalyst

    Institute of Scientific and Technical Information of China (English)

    谢小敏; 黄吉玲

    2005-01-01

    The synthesis and characterization of four new silicon-linked lanthanocene complexes with pendant phenyl groups on cyclopentadiene were reported. Based on the data of elemental analyses, MS and IR, the complexes were presumed to be unsolvated and dimeric complexes [Me2Si(C5H3CMe2C6H5)2LnC1]2 [Ln=Er (1), Gd (2), Sm (3), Dy (4)]. In conjunction with AlEt3 or sodium hydride as the co-catalyst, these complexes could efficiently catalyze the polymerization of methyl methacrylate (MMA). When the nanometric sodium hydride was used as a co-catalyst, the complexes were highly effective for the polymerization of MMA. At low temperature and in short time, in [MeESi(C5H3CMe2C6H5)2LnC1]2/NaH (nanometric) system, the polymer was obtained in more than 80% yield and the molecular weight was greater than 105. The activity reached that of organolanthanide hydride as a single-component catalyst. In ]MeESi(C5H3CMe2C6H5)2ErC1]2/Nail (nanometric) system, the effects of the molar ratio of MMA/catalyst and catalyst/co-catalyst, and the temperature on polymerization were studied.

  3. Using an adaptive expertise lens to understand the quality of teachers' classroom implementation of computer-supported complex systems curricula in high school science

    Science.gov (United States)

    Yoon, Susan A.; Koehler-Yom, Jessica; Anderson, Emma; Lin, Joyce; Klopfer, Eric

    2015-05-01

    Background: This exploratory study is part of a larger-scale research project aimed at building theoretical and practical knowledge of complex systems in students and teachers with the goal of improving high school biology learning through professional development and a classroom intervention. Purpose: We propose a model of adaptive expertise to better understand teachers' classroom practices as they attempt to navigate myriad variables in the implementation of biology units that include working with computer simulations, and learning about and teaching through complex systems ideas. Sample: Research participants were three high school biology teachers, two females and one male, ranging in teaching experience from six to 16 years. Their teaching contexts also ranged in student achievement from 14-47% advanced science proficiency. Design and methods: We used a holistic multiple case study methodology and collected data during the 2011-2012 school year. Data sources include classroom observations, teacher and student surveys, and interviews. Data analyses and trustworthiness measures were conducted through qualitative mining of data sources and triangulation of findings. Results: We illustrate the characteristics of adaptive expertise of more or less successful teaching and learning when implementing complex systems curricula. We also demonstrate differences between case study teachers in terms of particular variables associated with adaptive expertise. Conclusions: This research contributes to scholarship on practices and professional development needed to better support teachers to teach through a complex systems pedagogical and curricular approach.

  4. High-efficiency tris(8-hydroxyquinoline)aluminum (Alq3) complexes for organic white-light-emitting diodes and solid-state lighting.

    Science.gov (United States)

    Pérez-Bolívar, César; Takizawa, Shin-ya; Nishimura, Go; Montes, Victor A; Anzenbacher, Pavel

    2011-08-08

    Combinations of electron-withdrawing and -donating substituents on the 8-hydroxyquinoline ligand of the tris(8-hydroxyquinoline)aluminum (Alq(3)) complexes allow for control of the HOMO and LUMO energies and the HOMO-LUMO gap responsible for emission from the complexes. Here, we present a systematic study on tuning the emission and electroluminescence (EL) from Alq(3) complexes from the green to blue region. In this study, we explored the combination of electron-donating substituents on C4 and C6. Compounds 1-6 displayed the emission tuning between 478 and 526 nm, and fluorescence quantum yield between 0.15 and 0.57. The compounds 2-6 were used as emitters and hosts in organic light-emitting diodes (OLEDs). The highest OLED external quantum efficiency (EQE) observed was 4.6%, which is among the highest observed for Alq(3) complexes. Also, the compounds 3-5 were used as hosts for red phosphorescent dopants to obtain white light-emitting diodes (WOLED). The WOLEDs displayed high efficiency (EQE up to 19%) and high white color purity (color rendering index (CRI≈85). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Hydration energies and specific influence of oxo complexes and high coordination numbers on the predicted chemistry of superheavy elements

    International Nuclear Information System (INIS)

    Jorgensen, C.K.; Penneman, R.A.

    1975-01-01

    On the basis of an analysis of the known ionization energies of gaseous ions and aqua ions of the 3d, 4f, and 6d transition groups and the radius effects, the chemistry of the superheavy elements is predicted. The formation of aqua ion and oxo complexes in the elements with Z below 121 is considered. It is probable that the series from 123 to 140 constitute a close analogy to the lanthanides with Th-like chemistry. Above Z = 140 the elements will probably displace a transition group behavior. A brief comment is made on the analytical aspects to be expected. (U.S.)

  6. EFFICACY OF FIXED COMBINATION OF VALSARTAN, AMLODIPINE AND HYDROCHLOROTHIAZIDE IN COMPLEX THERAPY OF THE PATIENT OF VERY HIGH CARDIOVASCULAR RISK

    Directory of Open Access Journals (Sweden)

    I. M. Sokolov

    2012-01-01

    Full Text Available The high prevalence of arterial hypertension in association with high and very high cardiovascular risk requires widespread use of combined therapy. Current approaches to selection of combination components of antihypertensive drugs are based the efficacy of these drugs proven in multicenter randomized clinical trials. The triple combination of calcium antagonist, angiotensin II receptor blocker and thiazide diuretic is regarded as the best option for combined therapy in patients with arterial hypertension and ischemic heart disease to reduce cardiovascular risk.

  7. Synthesis of an oxo trialkyl tungsten fluoride complex and its dual reactivity with silica dehydroxylated at high temperature

    KAUST Repository

    Merle, Nicolas

    2018-05-22

    The novel complex W (=O)Np3F has been prepared by fluorination of the corresponding chloride counterpart with AgBF4. The reactivity of this complex with silica dehydroxylated at 700 °C afforded a well-defined silica supported monopodal tungsten oxo trialkyl surface species (≡SiO)W (=O)Np3. The reaction proceeds both through silanolysis of the W-F bond and opening of a siloxane bridge, with formation of a Si-F fragment, thanks to the affinity of silicon for fluoride. The resulting surface species was characterized by elemental analysis, DRIFT, solid state NMR and EXAFS spectroscopy. This material presenting fluorine on its surface shows an enhanced catalytic activity in propylene self-metathesis compared to its monopodal counterpart (≡SiO)W (=O)Np3 (prepared from W (=O)Np3Cl) suggesting that the Si-F in a close vicinity to the W decreases the electron density of the W and thus increases its reactivity towards the olefinic substrate.

  8. Selective transport and incorporation of highly charged metal and metal complex ions in self-assembled polyelectrolyte multilayer membranes

    International Nuclear Information System (INIS)

    Toutianoush, Ali; Tieke, Bernd

    2002-01-01

    The transport of aqueous salts containing mono-, di- and trivalent metal and tetravalent metal complex ions across ultrathin polyvinylammonium/polyvinylsulphate (PVA/PVS) membranes is described. The membranes were prepared by electrostatic layer-by-layer (LBL) assembly of the two polyelectrolytes. Using spectroscopic measurements and permeability studies, it is demonstrated that the transport of copper(II) chloride, lanthanum(III) chloride, barium chloride and potassium hexacyanoferrate(II) is accompanied by the permanent incorporation of the metal and metal complex ions in the membrane. Upon the uptake of copper, lanthanum and hexacyanoferrate ions, the membranes become cross-linked so that the permeation rates of other salts not taken up by the membrane, e.g. sodium chloride, potassium chloride and magnesium chloride, are decreased. The uptake of barium ions leads to a decrease of the cross-linking density of the membrane so that the permeation rate of NaCl is increased. Possible mechanisms for the ion uptake are discussed

  9. Synthesis of an oxo trialkyl tungsten fluoride complex and its dual reactivity with silica dehydroxylated at high temperature

    KAUST Repository

    Merle, Nicolas; Mazoyer, Etienne; Szeto, Kai C.; Rouge, Pascal; de Mallmann, Aimery; Berrier, Elise; Delevoye, Laurent; Gauvin, Ré gis M.; Nicholas, Christopher P.; Basset, Jean-Marie; Taoufik, Mostafa

    2018-01-01

    The novel complex W (=O)Np3F has been prepared by fluorination of the corresponding chloride counterpart with AgBF4. The reactivity of this complex with silica dehydroxylated at 700 °C afforded a well-defined silica supported monopodal tungsten oxo trialkyl surface species (≡SiO)W (=O)Np3. The reaction proceeds both through silanolysis of the W-F bond and opening of a siloxane bridge, with formation of a Si-F fragment, thanks to the affinity of silicon for fluoride. The resulting surface species was characterized by elemental analysis, DRIFT, solid state NMR and EXAFS spectroscopy. This material presenting fluorine on its surface shows an enhanced catalytic activity in propylene self-metathesis compared to its monopodal counterpart (≡SiO)W (=O)Np3 (prepared from W (=O)Np3Cl) suggesting that the Si-F in a close vicinity to the W decreases the electron density of the W and thus increases its reactivity towards the olefinic substrate.

  10. Simultaneous determination of trace amounts of metals by high-performance liquid chromatography after preconcentration with adsorption on chlorotrifluoroethylene polymer as their hexamethylenedithiocarbamate complexes

    International Nuclear Information System (INIS)

    Shijo, Yoshio; Yoshida, Hideaki; Uehara, Nobuo; Kitamura, Teruo; Yoshimoto, Eiji.

    1996-01-01

    A method for the simultaneous determination of Bi, Cd, Cu, In, Ni and Pb by high-performance liquid chromatography is presented. These metals are preconcentrated on poly(chlorotrifluoroethylene) resin particles as their hexamethylenedithiocarbamate (HMDC) complexes, and eluted with dimethyl sulfoxide, followed by HPLC separation and determination using an ODS column. The conditions for the adsorption of metal-HMDC complexes, such as the pH, HMDC concentration, amount of the resin particles and elution times with dimethyl sulfoxide, are discussed. The resulting solution is suitable for injection into reversed-phase HPLC. The detection limits for the metals were found to be at sub μgl -1 levels. The application of this principle to the trace analysis of Bi, Cd, Cu, In, Ni and Pb in high-purity aluminum is demonstrated. (author)

  11. Highly Active and Isospecific Styrene Polymerization Catalyzed by Zirconium Complexes Bearing Aryl-substituted [OSSO]-Type Bis(phenolate Ligands

    Directory of Open Access Journals (Sweden)

    Norio Nakata

    2016-01-01

    Full Text Available [OSSO]-type dibenzyl zirconium(IV complexes 9 and 10 possessing aryl substituents ortho to the phenoxide moieties (ortho substituents, phenyl and 2,6-dimethylphenyl (Dmp were synthesized and characterized. Upon activation with dMAO (dried methylaluminoxane, complex 9 was found to promote highly isospecific styrene polymerizations ([mm] = 97.5%–99% with high molecular weights Mw up to 181,000 g·mmol−1. When the Dmp-substituted pre-catalyst 10/dMAO system was used, the highest activity, over 7700 g·mmol(10−1·h−1, was recorded involving the formation of precisely isospecific polystyrenes of [mm] more than 99%.

  12. High-resolution numerical simulation of summer wind field comparing WRF boundary-layer parametrizations over complex Arctic topography: case study from central Spitsbergen

    Czech Academy of Sciences Publication Activity Database

    Láska, K.; Chládová, Zuzana; Hošek, Jiří

    2017-01-01

    Roč. 26, č. 4 (2017), s. 391-408 ISSN 0941-2948 Institutional support: RVO:68378289 Keywords : surface wind field * model evaluation * topographic effect * circulation pattern * Svalbard Subject RIV: DG - Athmosphere Sciences, Meteorology OBOR OECD: Meteorology and atmospheric sciences Impact factor: 1.989, year: 2016 http://www.schweizerbart.de/papers/metz/detail/prepub/87659/High_resolution_numerical_simulation_of_summer_wind_field_comparing_WRF_boundary_layer_parametrizations_over_complex_Arctic_topography_case_study_from_central_Spitsbergen

  13. Analysis of the High-Frequency Content in Human QRS Complexes by the Continuous Wavelet Transform: An Automatized Analysis for the Prediction of Sudden Cardiac Death.

    Science.gov (United States)

    García Iglesias, Daniel; Roqueñi Gutiérrez, Nieves; De Cos, Francisco Javier; Calvo, David

    2018-02-12

    Fragmentation and delayed potentials in the QRS signal of patients have been postulated as risk markers for Sudden Cardiac Death (SCD). The analysis of the high-frequency spectral content may be useful for quantification. Forty-two consecutive patients with prior history of SCD or malignant arrhythmias (patients) where compared with 120 healthy individuals (controls). The QRS complexes were extracted with a modified Pan-Tompkins algorithm and processed with the Continuous Wavelet Transform to analyze the high-frequency content (85-130 Hz). Overall, the power of the high-frequency content was higher in patients compared with controls (170.9 vs. 47.3 10³nV²Hz -1 ; p = 0.007), with a prolonged time to reach the maximal power (68.9 vs. 64.8 ms; p = 0.002). An analysis of the signal intensity (instantaneous average of cumulative power), revealed a distinct function between patients and controls. The total intensity was higher in patients compared with controls (137.1 vs. 39 10³nV²Hz -1 s -1 ; p = 0.001) and the time to reach the maximal intensity was also prolonged (88.7 vs. 82.1 ms; p content of the QRS complexes was distinct between patients at risk of SCD and healthy controls. The wavelet transform is an efficient tool for spectral analysis of the QRS complexes that may contribute to stratification of risk.

  14. Crystal Structures of the Pro-Inflammatory Cytokine Interleukin-23 and Its Complex with a High-Affinity Neutralizing Antibody

    Energy Technology Data Exchange (ETDEWEB)

    Beyer, Brian M.; Ingram, Richard; Ramanathan, Lata; Reichert, Paul; Le, Hung V.; Madison, Vincent; Orth, Peter (SPRI)

    2009-06-25

    Interleukin (IL)-23 is a pro-inflammatory cytokine playing a key role in the pathogenesis of several autoimmune and inflammatory diseases. We have determined the crystal structures of the heterodimeric p19-p40 IL-23 and its complex with the Fab (antigen-binding fragment) of a neutralizing antibody at 2.9 and 1.9 {angstrom}, respectively. The IL-23 structure closely resembles that of IL-12. They share the common p40 subunit, and IL-23 p19 overlaps well with IL-12 p35. Along the hydrophilic heterodimeric interface, fewer charged residues are involved for IL-23 compared with IL-12. The binding site of the Fab is located exclusively on the p19 subunit, and comparison with published cytokine-receptor structures suggests that it overlaps with the IL-23 receptor binding site.

  15. VOCABULARY, TEXTUAL COMPLEXITY AND READING COMPREHENSION IN DIGITAL LEARNING ENVIRONMENTS: AN INITIAL INVESTIGATION WITH HIGH SCHOOL STUDENTS

    Directory of Open Access Journals (Sweden)

    Maria José Bocorny Finatto

    2016-12-01

    Full Text Available In this paper, we describe an initial investigation that intended to qualify the elaboration and usability of didactic resources for Distance Learning (DL in the field of Languages/Portuguese Language and Reading. We present the planning of the resource, the selection of materials and the theoretical notions involved, and the initial design of the activity, which consisted in reading and evaluating the complexity of a set of short texts. The experience was successful only for a small controlled group of students and unsuccessful for the large uncontrolled group. In order to improve the devised resource and implement it didactically, there is the need to perform previous presential learning activities with the involved groups and proceed with the student’s evaluation of the results after the task is accomplished.

  16. Final summarizing report on Grant DE-SC0001014 "Separation of Highly Complex Mixtures by Two-dimension Liquid Chromatography"

    Energy Technology Data Exchange (ETDEWEB)

    Guiochon, Georges [Univ. of Tennessee, Knoxville, TN (United States)

    2013-09-16

    The goal of our research was a fundamental investigation of methods available for the coupling of two separate chromatographic separations that would considerably enhance the individual separation power of each of these two separations. This gain arises from the combination of two independent retention mechanisms, one of them separating the components that coelute on the other column, making possible the separation of many more compounds in a given time. The two separation mechanisms used must be very different. This is possible because many retention mechanisms are available, using different kinds of molecular interactions, hydrophobic or hydrophilic interactions, polar interactions, hydrogen bonding, complex formation, ionic interactions, steric exclusion. Two methods can be used, allowing separations to be performed in space (spreading the bands of sample components on a plate covered with stationary phase layer) or in time (eluting the sample components through a column and detecting the bands leaving the column). Both offer a wide variety of possible combinations and were studied.

  17. Electronic and atomic structure of complex defects in Al- and Ga-highly doped ZnO films

    Energy Technology Data Exchange (ETDEWEB)

    Menéndez-Proupin, Eduardo [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, 780-0003 Ñuñoa, Santiago (Chile); Palacios, Pablo, E-mail: pablo.palacios@upm.es [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Dpt. FAIAN, E.T.S.I. Aeronáutica y del Espacio, UPM, Pz. Cardenal Cisneros 3, 28040 Madrid (Spain); Wahnón, Perla [Instituto de Energía Solar, Universidad Politécnica de Madrid (UPM), Ciudad Universitaria, 28040 Madrid (Spain); Dpt. TFO, E.T.S.I. Telecomunicación, UPM, Ciudad Universitaria, 28040 Madrid (Spain)

    2015-06-15

    Point defects in Ga- and Al-doped ZnO thin films are studied by means of first principles electronic structure calculations. Candidate defects are identified to explain recently observed differences in electrical and spectroscopic behavior of both systems. Substitutional doping in Ga–ZnO explain the metallic behavior of the electrical properties. Complexes of interstitial oxygen with substitutional Ga can behave as acceptor and cause partial compensation, as well as gap states below the conduction band minimum as observed in photoemission experiments. Zn vacancies can also act as compensating acceptors. On the other hand, the semiconducting behavior of Al–ZnO and the small variation in the optical gap compared with pure ZnO, can be explained by almost complete compensation between acceptor Zn vacancies and substitutional Al donors. Interstitial Al can also be donor levels and can be the origin of the small band observed in photoemission experiments below the Fermi level. Combinations of substitutional Al with interstitial oxygen can act simultaneously as compensating acceptor and generator of the mentioned photoemission band. The theoretical calculations have been done using density functional theory (DFT) within the generalized gradient approximation with on-site Coulomb interaction. In selected cases, DFT calculations with semilocal-exact exchange hybrid functionals have been performed. Results explain photoelectron spectra of Ga–ZnO and Al–ZnO at the corresponding doping levels. - Highlights: • Defects in Ga- and Al-heavy-doped ZnO films are studied by quantum calculations. • Defects compatible with electrical, optical, and HAXPES spectra are proposed. • Doping efficiency is reduced by Zn vacancies and O interstitials. • HAXPES bands near the Fermi level are induced by Al{sub i}, and complexes Ga{sub Zn}-O{sub i}, and Al{sub Zn}-O{sub i}.

  18. Investigation of the thermophysical properties of high-melting materials with the aid of a complex of instruments

    Science.gov (United States)

    Bolgar, A. S.; Gordiyenko, S. P.; Guseva, Y. A.; Turchanin, A. G.; Fenochka, B. V.; Fesenko, V. V.

    1984-01-01

    The evaporation rate, vapor pressure, heats of evaporation reaction (sublimation, dissociation), enthalpy, electrical resistance, heat capacity, emissivity, and heat conductivity of various carbides, borides, sulfides, nitrides, selenides, and phosphides were investigated. A set of high temperature high vacuum devices, calorimeters (designed for operation at 400 to 1300 K and from 1200 K), and mass spectrometers, most of which were specially developed for these studies, is described.

  19. High efficiency light harvesting by carotenoids in the LH2 complex from photosynthetic bacteria: unique adaptation to growth under low-light conditions.

    Science.gov (United States)

    Magdaong, Nikki M; LaFountain, Amy M; Greco, Jordan A; Gardiner, Alastair T; Carey, Anne-Marie; Cogdell, Richard J; Gibson, George N; Birge, Robert R; Frank, Harry A

    2014-09-25

    Rhodopin, rhodopinal, and their glucoside derivatives are carotenoids that accumulate in different amounts in the photosynthetic bacterium, Rhodoblastus (Rbl.) acidophilus strain 7050, depending on the intensity of the light under which the organism is grown. The different growth conditions also have a profound effect on the spectra of the bacteriochlorophyll (BChl) pigments that assemble in the major LH2 light-harvesting pigment-protein complex. Under high-light conditions the well-characterized B800-850 LH2 complex is formed and accumulates rhodopin and rhodopin glucoside as the primary carotenoids. Under low-light conditions, a variant LH2, denoted B800-820, is formed, and rhodopinal and rhodopinal glucoside are the most abundant carotenoids. The present investigation compares and contrasts the spectral properties and dynamics of the excited states of rhodopin and rhodopinal in solution. In addition, the systematic differences in pigment composition and structure of the chromophores in the LH2 complexes provide an opportunity to explore the effect of these factors on the rate and efficiency of carotenoid-to-BChl energy transfer. It is found that the enzymatic conversion of rhodopin to rhodopinal by Rbl. acidophilus 7050 grown under low-light conditions results in nearly 100% carotenoid-to-BChl energy transfer efficiency in the LH2 complex. This comparative analysis provides insight into how photosynthetic systems are able to adapt and survive under challenging environmental conditions.

  20. Synthesis of Aluminum Complexes Bearing 8-Anilide-5,6,7-trihydroquinoline Ligands: Highly Active Catalyst Precursors for Ring-Opening Polymerization of Cyclic Esters

    Directory of Open Access Journals (Sweden)

    Shaofeng Liu

    2017-03-01

    Full Text Available The stoichiometric reactions of 8-(2,6-R1-4-R2-anilide-5,6,7-trihydroquinoline (LH with AlR3 (R = Me or Et afforded the aluminum complexes LAlR2 (Al1–Al5,Al1: R1 = iPr, R2 = H, R = Me; Al2: R1 = Me, R2 = H, R = Me; Al3: R1 = H, R2 = H, R = Me; Al4: R1 = Me, R2 = Me, R = Me; Al5: R1 = Me, R2 = Me, R = Et in high yields. All aluminum complexes were characterized by NMR spectroscopy and elemental analysis. The molecular structures of complexes Al4 and Al5 were determined by single-crystal X-ray diffractions and revealed a distorted tetrahedral geometry at aluminum. In the presence of BnOH, complexes Al1–Al5 efficiently initiated the ring-opening homopolymerization of ε-caprolactone (ε-CL and rac-lactide (rac-LA, respectively, in a living/controlled manner.

  1. General Synthesis of Transition-Metal Oxide Hollow Nanospheres/Nitrogen-Doped Graphene Hybrids by Metal-Ammine Complex Chemistry for High-Performance Lithium-Ion Batteries.

    Science.gov (United States)

    Chen, Jiayuan; Wu, Xiaofeng; Gong, Yan; Wang, Pengfei; Li, Wenhui; Mo, Shengpeng; Peng, Shengpan; Tan, Qiangqiang; Chen, Yunfa

    2018-02-09

    We present a general and facile synthesis strategy, on the basis of metal-ammine complex chemistry, for synthesizing hollow transition-metal oxides (Co 3 O 4 , NiO, CuO-Cu 2 O, and ZnO)/nitrogen-doped graphene hybrids, potentially applied in high-performance lithium-ion batteries. The oxygen-containing functional groups of graphene oxide play a prerequisite role in the formation of hollow transition-metal oxides on graphene nanosheets, and a significant hollowing process occurs only when forming metal (Co 2+ , Ni 2+ , Cu 2+ , or Zn 2+ )-ammine complex ions. Moreover, the hollowing process is well correlated with the complexing capacity between metal ions and NH 3 molecules. The significant hollowing process occurs for strong metal-ammine complex ions including Co 2+ , Ni 2+ , Cu 2+ , and Zn 2+ ions, and no hollow structures formed for weak and/or noncomplex Mn 2+ and Fe 3+ ions. Simultaneously, this novel strategy can also achieve the direct doping of nitrogen atoms into the graphene framework. The electrochemical performance of two typical hollow Co 3 O 4 or NiO/nitrogen-doped graphene hybrids was evaluated by their use as anodic materials. It was demonstrated that these unique nanostructured hybrids, in contrast with the bare counterparts, solid transition-metal oxides/nitrogen-doped graphene hybrids, perform with significantly improved specific capacity, superior rate capability, and excellent capacity retention. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. High-Order Ca(II)-Chloro Complexes in Mixed CaCl2-LiCl Aqueous Solution: Insights from Density Functional Theory and Molecular Dynamics Simulations.

    Science.gov (United States)

    Wang, Yu-Lin; Wang, Ying; Yi, Hai-Bo

    2016-07-21

    In this study, the structural characteristics of high-coordinated Ca-Cl complexes present in mixed CaCl2-LiCl aqueous solution were investigated using density functional theory (DFT) and molecular dynamics (MD) simulations. The DFT results show that [CaClx](2-x) (x = 4-6) clusters are quite unstable in the gas phase, but these clusters become metastable when hydration is considered. The MD simulations show that high-coordinated Ca-chloro complexes are possible transient species that exist for up to nanoseconds in concentrated (11.10 mol·kg(-1)) Cl(-) solution at 273 and 298 K. As the temperature increases to 423 K, these high-coordinated structures tend to disassociate and convert into smaller clusters and single free ions. The presence of high-order Ca-Cl species in concentrated LiCl solution can be attributed to their enhanced hydration shell and the inadequate hydration of ions. The probability of the [CaClx](2-x)aq (x = 4-6) species being present in concentrated LiCl solution decreases greatly with increasing temperature, which also indicates that the formation of the high-coordinated Ca-Cl structure is related to its hydration characteristics.

  3. Complexity explained

    CERN Document Server

    Erdi, Peter

    2008-01-01

    This book explains why complex systems research is important in understanding the structure, function and dynamics of complex natural and social phenomena. Readers will learn the basic concepts and methods of complex system research.

  4. Gene-carried hepatoma targeting complex induced high gene transfection efficiency with low toxicity and significant antitumor activity

    Directory of Open Access Journals (Sweden)

    Zhao QQ

    2012-06-01

    Full Text Available Qing-Qing Zhao,1,2 Yu-Lan Hu,1 Yang Zhou,3 Ni Li,1 Min Han,1 Gu-Ping Tang,4 Feng Qiu,2 Yasuhiko Tabata,5 Jian-Qing Gao,11Institute of Pharmaceutics, Zhejiang University, Hangzhou, China; 2Department of Pharmacy, The First Affiliated Hospital of Chongqing Medical University, Chongqing, China; 3Institute of Biochemistry, Iowa State University, Ames, IA, USA; 4Institute of Chemical Biology and Pharmaceutical Chemistry, Zhejiang University, Hangzhou, China; 5Institute for Frontier Medical Sciences, Kyoto University, Kyoto, JapanBackground: The success of gene transfection is largely dependent on the development of a vehicle or vector that can efficiently deliver a gene to cells with minimal toxicity.Methods: A liver cancer-targeted specific peptide (FQHPSF sequence was successfully synthesized and linked with chitosan-linked polyethylenimine (CP to form a new targeted gene delivery vector called CPT (CP/peptide. The structure of CPT was confirmed by 1H nuclear magnetic resonance spectroscopy and ultraviolet spectrophotometry. The particle size of CPT/DNA complexes was measured using laser diffraction spectrometry and the cytotoxicity of the copolymer was evaluated by methylthiazol tetrazolium method. The transfection efficiency evaluation of the CP copolymer was performed using luciferase activity assay. Cellular internalization of the CP/DNA complex was observed under confocal laser scanning microscopy. The targeting specificity of the polymer coupled to peptide was measured by competitive inhibition transfection study. The liver targeting specificity of the CPT copolymer in vivo was demonstrated by combining the copolymer with a therapeutic gene, interleukin-12, and assessed by its abilities in suppressing the growth of ascites tumor in mouse model.Results: The results showed that the liver cancer-targeted specific peptide was successfully synthesized and linked with CP to form a new targeted gene delivery vector called CPT. The composition of CPT

  5. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  6. Structures of an Apo and a Binary Complex of an Evolved Archeal B Family DNA Polymerase Capable of Synthesising Highly Cy-Dye Labelled DNA

    Science.gov (United States)

    Wynne, Samantha A.; Pinheiro, Vitor B.; Holliger, Philipp; Leslie, Andrew G. W.

    2013-01-01

    Thermophilic DNA polymerases of the polB family are of great importance in biotechnological applications including high-fidelity PCR. Of particular interest is the relative promiscuity of engineered versions of the exo- form of polymerases from the Thermo- and Pyrococcales families towards non-canonical substrates, which enables key advances in Next-generation sequencing. Despite this there is a paucity of structural information to guide further engineering of this group of polymerases. Here we report two structures, of the apo form and of a binary complex of a previously described variant (E10) of Pyrococcus furiosus (Pfu) polymerase with an ability to fully replace dCTP with Cyanine dye-labeled dCTP (Cy3-dCTP or Cy5-dCTP) in PCR and synthesise highly fluorescent “CyDNA” densely decorated with cyanine dye heterocycles. The apo form of Pfu-E10 closely matches reported apo form structures of wild-type Pfu. In contrast, the binary complex (in the replicative state with a duplex DNA oligonucleotide) reveals a closing movement of the thumb domain, increasing the contact surface with the nascent DNA duplex strand. Modelling based on the binary complex suggests how bulky fluorophores may be accommodated during processive synthesis and has aided the identification of residues important for the synthesis of unnatural nucleic acid polymers. PMID:23940661

  7. Advances in ultra-high performance liquid chromatography coupled to tandem mass spectrometry for sensitive detection of several food allergens in complex and processed foodstuffs.

    Science.gov (United States)

    Planque, M; Arnould, T; Dieu, M; Delahaut, P; Renard, P; Gillard, N

    2016-09-16

    Sensitive detection of food allergens is affected by food processing and foodstuff complexity. It is therefore a challenge to detect cross-contamination in food production that could endanger an allergic customer's life. Here we used ultra-high performance liquid chromatography coupled to tandem mass spectrometry for simultaneous detection of traces of milk (casein, whey protein), egg (yolk, white), soybean, and peanut allergens in different complex and/or heat-processed foodstuffs. The method is based on a single protocol (extraction, trypsin digestion, and purification) applicable to the different tested foodstuffs: chocolate, ice cream, tomato sauce, and processed cookies. The determined limits of quantitation, expressed in total milk, egg, peanut, or soy proteins (and not soluble proteins) per kilogram of food, are: 0.5mg/kg for milk (detection of caseins), 5mg/kg for milk (detection of whey), 2.5mg/kg for peanut, 5mg/kg for soy, 3.4mg/kg for egg (detection of egg white), and 30.8mg/kg for egg (detection of egg yolk). The main advantage is the ability of the method to detect four major food allergens simultaneously in processed and complex matrices with very high sensitivity and specificity. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. Extractive spectrophotometric determination of molybdenum in steels and nickel base high-temperature alloys as a ternary complex with hydroxylamine hydrochloride and 4-(2-pyridylazo) resorcinol

    International Nuclear Information System (INIS)

    Reddy, M.R.P.; Kumar, P.V.S.; Shyamsundar, J.P.; Anjaneyulu, Y.

    1990-01-01

    The red coloured, ternary complex formed by molybdenum(VI) with hydroxylamine hydrchloride and 4-(2-pyridylazo) resorcinol (PAR), on heating for 20 minutes in a hot water bath at pH 6-8, can be extracted with a mixture of n-butanol and benzene (4:1). This complex exhibits absorption maximum at 530nm with a molar absorptivity of 2.8x10 4 lit. mol -1 cm -1 and obeys Beer's law upto 4.5μg/ml of Mo(VI). The composition of the complex is found to be 1:1:1, for Mo(VI): hydroxylamine hydrochloride: PAR. Large amounts of tartaric acid and 2, 2-diamino-cyclohexane tetra acetic acid (CyDTA) can be tolerated in this method. The extraction becomes highly selective in presence of CyDTA (3ml of 5x10 -2 M) and interference of ions like Fe(III)(5mg), Pb(II)(4mg), Zn(II)(2mg), Cu(II)(4mg), Mn(II)(3mg), Ni(II)(4mg), Sn(II)(3mg), Cr(VI)(2mg) and Bi(III)(0.5mg) can be effectively supressed in the determination of 10-45μg of molybdenum. The method can be successfully applied for the determination of molybdenum in steels and nickel base high temperature alloys. (author). 2 tabs., 8 refs

  9. High-Order Finite-Difference Solution of the Poisson Equation Involving Complex Geometries in Embedded Meshes

    Science.gov (United States)

    Marques, Alexandre; Nave, Jean-Christophe; Rosales, Ruben

    2011-11-01

    The Poisson equation is of central importance in the description of fluid flows and other physical phenomena. In prior work, Marques, Nave, and Rosales introduced the Correction Function Method (CFM) to obtain fourth-order accurate solutions for the constant coefficient Poisson problem with prescribed jump conditions for the solution and its normal derivative across arbitrary interfaces. Here we combine this method with the ideas introduced by Mayo to solve other Poisson problems involving complex geometries. In summary, we are able to rewrite the problem as a boundary integral equation in terms of a potential distribution over the boundary or interface. The solution of this integral equation is discontinuous across the boundary or interface. Hence, after this integral equation is solved using standard techniques, the potential distribution can be used to determine the jump discontinuities. We are then able to use the CFM to solve the resulting Poisson equation with jump discontinuities. The outcome is a fourth-order accurate scheme to solve general Poisson problems which, over arbitrary geometries, has a cost that is approximately twice that of a fast Poisson solver using FFT on a rectangular geometry of the same size. Details of the method and applications will be presented.

  10. A highly sensitive PVC membrane iodide electrode based on complexes of mercury(II) as neutral carrier.

    Science.gov (United States)

    Chai, Y-Q; Yuan, R; Xu, L; Xu, W-J; Dai, J-Y; Jiang, F

    2004-09-01

    A novel solvent polymeric membrane electrode based on bis(1,3,4-thiadiazole) complexes of Hg(II) is described which has excellent selectivity and sensitivity toward iodide ion. The electrode, containing 1,4-bis(5-methyl-1,3,4-thiadiazole-2-yl-thio)butanemercury(II) [Hg(II)BMTB(NO3)4], has a Nernstian potentiometric response from 2.0 x 10(-8) to 2.0 x 10(-2) mol L(-1) with a detection limit of 8.0 x 10(-9) mol L(-1) and a slope of -59.0+/-0.5 mV/decade in 0.01 mol L(-1) phosphate buffer solution (pH 3.0, 20 degrees C). The selectivity sequence observed is iodide>bromide>thiocyanate>nitrite>nitrate>chloride>perchlorate>acetate>sulfate. The selectivity behavior is discussed in terms of the UV-Vis spectrum, and the process of transfer of iodide across the membrane interface is investigated by use of the AC impedance technique. The electrode was successfully applied to the determination of iodide in Jialing River and Spring in Jinyun Mountains, with satisfactory results.

  11. High-resolution spatial databases of monthly climate variables (1961-2010) over a complex terrain region in southwestern China

    Science.gov (United States)

    Wu, Wei; Xu, An-Ding; Liu, Hong-Bin

    2015-01-01

    Climate data in gridded format are critical for understanding climate change and its impact on eco-environment. The aim of the current study is to develop spatial databases for three climate variables (maximum, minimum temperatures, and relative humidity) over a large region with complex topography in southwestern China. Five widely used approaches including inverse distance weighting, ordinary kriging, universal kriging, co-kriging, and thin-plate smoothing spline were tested. Root mean square error (RMSE), mean absolute error (MAE), and mean absolute percentage error (MAPE) showed that thin-plate smoothing spline with latitude, longitude, and elevation outperformed other models. Average RMSE, MAE, and MAPE of the best models were 1.16 °C, 0.74 °C, and 7.38 % for maximum temperature; 0.826 °C, 0.58 °C, and 6.41 % for minimum temperature; and 3.44, 2.28, and 3.21 % for relative humidity, respectively. Spatial datasets of annual and monthly climate variables with 1-km resolution covering the period 1961-2010 were then obtained using the best performance methods. Comparative study showed that the current outcomes were in well agreement with public datasets. Based on the gridded datasets, changes in temperature variables were investigated across the study area. Future study might be needed to capture the uncertainty induced by environmental conditions through remote sensing and knowledge-based methods.

  12. Effective Anti-miRNA Oligonucleotides Show High Releasing Rate of MicroRNA from RNA-Induced Silencing Complex.

    Science.gov (United States)

    Ariyoshi, Jumpei; Matsuyama, Yohei; Kobori, Akio; Murakami, Akira; Sugiyama, Hiroshi; Yamayoshi, Asako

    2017-10-01

    MicroRNAs (miRNAs) regulate gene expression by forming RNA-induced silencing complexes (RISCs) and have been considered as promising therapeutic targets. MiRNA is an essential component of RISC for the modulation of gene expression. Therefore, the release of miRNA from RISC is considered as an effective method for the inhibition of miRNA functions. In our previous study, we reported that anti-miRNA oligonucleotides (AMOs), which are composed of the 2'-O-methyl (2'-OMe) RNA, could induce the release of miRNA from RISC. However, the mechanisms underlying the miRNA-releasing effects of chemically modified AMOs, which are conventionally used as anti-cancer drugs, are still unclear. In this study, we investigated the relationship between the miRNA releasing rate from RISC and the inhibitory effect on RISC activity (IC 50 ) using conventional chemically modified AMOs. We demonstrated that the miRNA-releasing effects of AMOs are directly proportional to the IC 50 values, and AMOs, which have an ability to promote the release of miRNA from RISC, can effectively inhibit RISC activity in living cells.

  13. Development of a structure-dependent materials model for complex high-temperature loads: Turbine blades of IN 738 LC

    International Nuclear Information System (INIS)

    1989-01-01

    In the framework of a material research programme of the Federal Ministry for Research and Technology a joint project of 10 institutes has started. It aims at developing new concepts for high-temperature components. A subtask is concerned with the internally cooled turbine blade of IN 738 LC for stationary gas turbines. The envisaged procedure for the development of the design conception and the level of knowledge concerning the influencing parameters of the structure and the mechanical behaviour at high operating temperatures are reported on. (orig.) [de

  14. The function of glycine decarboxylase complex is optimized to maintain high photorespiratory flux via buffering of its reaction products

    DEFF Research Database (Denmark)

    Bykova, Natalia V; Møller, Ian Max; Gardeström, Per

    2014-01-01

    oxidase. We discuss here possible mechanisms of high photorespiratory flux maintenance in mitochondria and suggest that it is fulfilled under conditions where the concentrations of glycine decarboxylase reaction products NADH and CO2 achieve an equilibrium provided by malate dehydrogenase and carbonic...

  15. Testing candidate genes for attention-deficit/hyperactivity disorder in fruit flies using a high throughput assay for complex behavior

    DEFF Research Database (Denmark)

    Rohde, Palle Duun; Madsen, Lisbeth Strøm; Arvidson, Sandra Marie Neumann

    2016-01-01

    Fruit flies are important model organisms for functional testing of candidate genes in multiple disciplines, including the study of human diseases. Here we use a high-throughput locomotor activity assay to test the response on activity behavior of gene disruption in Drosophila melanogaster. The aim...

  16. High expression of PI3K core complex genes is associated with poor prognosis in chronic lymphocytic leukemia

    DEFF Research Database (Denmark)

    Kristensen, Louise; Kielsgaard Kristensen, Thomas; Abildgaard, Niels

    2015-01-01

    included in the study. All three genes were observed to be independent markers of prognosis in CLL with high expression being associated with more aggressive disease. With this clear association with outcome in CLL, these genes thereby represent promising candidates for future functional studies...

  17. Evaluation of High-Speed EML-based IM/DD links with PAM Modulations and Low-Complexity Equalization

    DEFF Research Database (Denmark)

    Pang, Xiaodan; Ozolins, Oskars; Gaiarin, Simone

    2017-01-01

    We experimentally evaluated up to 96 Gb/s/lambda PAM IM/DD transmissions with an EML and digital equalizations. Symbol-spaced FFE/DFEs with fewer than 10 taps are shown being sufficient for a high and stable performance over a 4 km SMF link....

  18. The complex fate in plasma of gadolinium incorporated into high-density lipoproteins used for magnetic imaging of atherosclerotic plaques

    NARCIS (Netherlands)

    Barazza, Alessandra; Blachford, Courtney; Even-Or, Orli; Joaquin, Victor A.; Briley-Saebo, Karen C.; Chen, Wei; Jiang, Xian-Cheng; Mulder, Willem J. M.; Cormode, David P.; Fayad, Zahi A.; Fisher, Edward A.

    2013-01-01

    We have previously reported enhancing the imaging of atherosclerotic plaques in mice using reconstituted high density lipoproteins (HDL) as nanocarriers for the MRI contrast agent gadolinium (Gd). This study focuses on the underlying mechanisms of Gd delivery to atherosclerotic plaques. HDL, LDL,

  19. Vacancy-fluorine complexes and their impact on the properties of metal-oxide transistors with high-k gate dielectrics studied using monoenergetic positron beams

    Science.gov (United States)

    Uedono, A.; Inumiya, S.; Matsuki, T.; Aoyama, T.; Nara, Y.; Ishibashi, S.; Ohdaira, T.; Suzuki, R.; Miyazaki, S.; Yamada, K.

    2007-09-01

    Vacancy-fluorine complexes in metal-oxide semiconductors (MOS) with high-k gate dielectrics were studied using a positron annihilation technique. F+ ions were implanted into Si substrates before the deposition of gate dielectrics (HfSiON). The shift of threshold voltage (Vth) in MOS capacitors and an increase in Fermi level position below the HfSiON/Si interface were observed after F+ implantation. Doppler broadening spectra of the annihilation radiation and positron lifetimes were measured before and after HfSiON fabrication processes. From a comparison between Doppler broadening spectra and those obtained by first-principles calculation, the major defect species in Si substrates after annealing treatment (1050 °C, 5 s) was identified as vacancy-fluorine complexes (V3F2). The origin of the Vth shift in the MOS capacitors was attributed to V3F2 located in channel regions.

  20. Methodological approach in determination of small spatial units in a highly complex terrain in atmospheric pollution research: the case of Zasavje region in Slovenia.

    Science.gov (United States)

    Kukec, Andreja; Boznar, Marija Z; Mlakar, Primoz; Grasic, Bostjan; Herakovic, Andrej; Zadnik, Vesna; Zaletel-Kragelj, Lijana; Farkas, Jerneja; Erzen, Ivan

    2014-05-01

    The study of atmospheric air pollution research in complex terrains is challenged by the lack of appropriate methodology supporting the analysis of the spatial relationship between phenomena affected by a multitude of factors. The key is optimal design of a meaningful approach based on small spatial units of observation. The Zasavje region, Slovenia, was chosen as study area with the main objective to investigate in practice the role of such units in a test environment. The process consisted of three steps: modelling of pollution in the atmosphere with dispersion models, transfer of the results to geographical information system software, and then moving on to final determination of the function of small spatial units. A methodology capable of designing useful units for atmospheric air pollution research in highly complex terrains was created, and the results were deemed useful in offering starting points for further research in the field of geospatial health.

  1. High-performance liquid chromatography coupled with post-column dual-bioactivity assay for simultaneous screening of xanthine oxidase inhibitors and free radical scavengers from complex mixture.

    Science.gov (United States)

    Li, D Q; Zhao, J; Li, S P

    2014-06-06

    Xanthine oxidase (XO) can catalyze hypoxanthine and xanthine to generate uric acid and reactive oxygen species (ROS), including superoxide anion radical (O₂(•-)) and hydrogen peroxide. XO inhibitors and free radical scavengers are beneficial to the treatment of gout and many related diseases. In the present study, an on-line high-performance liquid chromatography (HPLC) coupled with post-column dual-bioactivity assay was established and successfully applied to simultaneously screening of XO inhibitors and free radical scavengers from a complex mixture, Oroxylum indicum extract. The integrated system of HPLC separation, bioactivity screening and mass spectrometry identification was proved to be simple and effective for rapid and sensitive screening of individual bioactive compounds in complex mixtures. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Fe- and Cu-complex formation with artificial ligands investigated by ultra-high resolution Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS: Implications for natural metal-organic complex studies

    Directory of Open Access Journals (Sweden)

    Hannelore Waska

    2016-07-01

    Full Text Available In recent years, electrospray-ionization mass spectrometry (ESI-MS has been increasingly used to complement the bulk determination of metal-ligand equilibria, for example via competitive ligand exchange-adsorptive cathodic stripping voltammetry (CLE-ACSV. However, ESI-MS speciation analyses may be impacted by instrumental artefacts such as reduction reactions, fragmentation, and adduct formation at the ESI source, changes in the ionization efficiencies of the detected species in relation to sample matrix, and peak overlaps in response to increasing sample complexity. In our study, equilibria of the known artificial ligands citrate, ethylenediaminetetraacetic acid (EDTA, 1-nitroso-2-naphthol (NN, and salicylaldoxime (SA with iron (Fe and copper (Cu were investigated by ultra-high resolution ESI-MS, Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS, under a variety of sample matrix and ionization settings. The acquired mass spectra were compared with metal-ligand equilibrium data from the literature as well as an adapted speciation model. Overall, the mass spectra produced representative species mentioned in previous reports and predicted by the speciation calculations, such as Fe(Cit, Cu(Cit2, Fe(EDTA, Cu(EDTA, Fe(NN3, and Cu(SA2. The analyses furthermore revealed new species which had been hypothesized but not measured directly using other methods, for example ternary complexes of citrate with Fe and Cu, Cu(SA monomers, and the dimer Fe(SA2. Finally, parallel measurements of a Cu+SA calibration series and a Cu+SA+EDTA competition series indicated that FT-ICR-MS can produce linear responses and low detection limits analogous to those of ACSV. We propose that ultra-high resolution FT-ICR-MS can be used as a representative tool to study interactions of trace metals with artificial as well as natural, unknown ligands at the molecular level.

  3. Disorder and intermolecular interactions in a family of tetranuclear Ni(II) complexes probed by high-frequency electron paramagnetic resonance.

    Science.gov (United States)

    Lawrence, Jon; Yang, En-Che; Edwards, Rachel; Olmstead, Marilyn M; Ramsey, Chris; Dalal, Naresh S; Gantzel, Peter K; Hill, Stephen; Hendrickson, David N

    2008-03-17

    High-frequency electron paramagnetic resonance (HFEPR) data are presented for four closely related tetranuclear Ni(II) complexes, [Ni(hmp)(MeOH)Cl]4.H2O (1a), [Ni(hmp)(MeOH)Br]4.H2O (1b), [Ni(hmp)(EtOH)Cl]4.H2O (2), and [Ni(hmp)(dmb)Cl]4 (3) (where hmp(-) is the anion of 2-hydroxymethylpyridine and dmb is 3,3'-dimethyl-1-butanol), which exhibit magnetic bistability (hysteresis) and fast magnetization tunneling at low temperatures, properties which suggest they are single-molecule magnets (SMMs). The HFEPR spectra confirm spin S = 4 ground states and dominant uniaxial anisotropy (DSz(2), D SMM. The individual fine structure peaks (due to zero-field splitting) for complexes 1a, 1b, and 2 are rather broad. They also exhibit further (significant) splitting, which can be explained by the fact that there exists two crystallographically distinct Ni 4 sites in the lattices for these complexes, with associated differences in metal-ligand bond lengths and different zero-field splitting (ZFS) parameters. The broad EPR lines, meanwhile, may be attributed to ligand and solvent disorder, which results in additional distributions of microenvironments. In the case of complex 3, there are no solvate molecules in the structure, and only one distinct Ni 4 molecule in the lattice. Consequently, the HFEPR data for complex 3 are extremely sharp. As the temperature of a crystal of complex 3 is decreased, the HFEPR spectrum splits abruptly at approximately 46 K into two patterns with very slightly different ZFS parameters. Heat capacity data suggest that this is caused by a structural transition at 46.6 K. A single-crystal X-ray structure at 12(2) K indicates large thermal parameters on the terminal methyl groups of the dmb (3,3-dimethyl-1-butanol) ligand. Most likely there exists dynamic disorder of parts of the dmb ligand above 46.6 K; an order-disorder structural phase transition at 46.6 K then removes some of the motion. A further decrease in temperature (<6 K) leads to further fine

  4. High Resolution Millimeter Wave Absorption Spectroscopy of Flexi- Ble Complex Organic Molecules: Laboratory Spectrum of 1, 2-Butanediol

    Science.gov (United States)

    Maris, Assimo

    2017-11-01

    The enhancing sensibility of radioastronomical observations allows for detec- tion of complex organic molecules (COMs) with increasing size. Observations performed by the Atacama Large Millimeter Array (ALMA) open up new oppor- tunities to reveal the COMs, at the same time, the huge amount of data collected and the extremely rich surveys represent a challenge for the astrochemistry community. Among all the detected molecules, the diols are object of chemical interest, because of their similarity with important biological building block molecules such as sugar alcohols. The simplest of them, ethylene glycol (EG), is one of the largest COMs detected in space thus far. Lines attributable to the most stable conformer of EG were detected in different environments and recently also the higher energy conformer has been observed both towards IRAS 16293-2422 and the Orion KL. Observations of 1, 2- and 1, 3-propanediol toward Sgr B2 (N-LMH) were attempted as part of the GBT Prebiotic Interstellar Molecule Sur- vey Legacy Project, but no transitions were detected. Although up to now, due the fact that the column densities of molecules tend to decrease with increasing molecular weight, no large diols have been observed in interstellar space, owing to the raising sensitivity of the radioastronomy observations, their future detection can not be excluded. In this context we report, for the first time, the laboratory millimeter spectrum of 1, 2-butanediol (BD) recorded in the 59.6-103.6 GHz frequency region (5.03-2.89 mm). BD (the ethylated form of EG) is a flexible molecule characterized by a great conformational complexity, thus at room condi- tions the population is distributed in a large number of species, leading to a very congested spectrum. This problem has been overcome exploiting the rotational and conformational cooling produced by the supersonic expansion technique. Six conformers of BD, including the global minimum, have been assigned yielding the rotational constants

  5. High-throughput preparation of complex multi-scale patterns from block copolymer/homopolymer blend films

    Science.gov (United States)

    Park, Hyungmin; Kim, Jae-Up; Park, Soojin

    2012-02-01

    A simple, straightforward process for fabricating multi-scale micro- and nanostructured patterns from polystyrene-block-poly(2-vinylpyridine) (PS-b-P2VP)/poly(methyl methacrylate) (PMMA) homopolymer in a preferential solvent for PS and PMMA is demonstrated. When the PS-b-P2VP/PMMA blend films were spin-coated onto a silicon wafer, PS-b-P2VP micellar arrays consisting of a PS corona and a P2VP core were formed, while the PMMA macrodomains were isolated, due to the macrophase separation caused by the incompatibility between block copolymer micelles and PMMA homopolymer during the spin-coating process. With an increase of PMMA composition, the size of PMMA macrodomains increased. Moreover, the P2VP blocks have a strong interaction with a native oxide of the surface of the silicon wafer, so that the P2VP wetting layer was first formed during spin-coating, and PS nanoclusters were observed on the PMMA macrodomains beneath. Whereas when a silicon surface was modified with a PS brush layer, the PS nanoclusters underlying PMMA domains were not formed. The multi-scale patterns prepared from copolymer micelle/homopolymer blend films are used as templates for the fabrication of gold nanoparticle arrays by incorporating the gold precursor into the P2VP chains. The combination of nanostructures prepared from block copolymer micellar arrays and macrostructures induced by incompatibility between the copolymer and the homopolymer leads to the formation of complex, multi-scale surface patterns by a simple casting process.A simple, straightforward process for fabricating multi-scale micro- and nanostructured patterns from polystyrene-block-poly(2-vinylpyridine) (PS-b-P2VP)/poly(methyl methacrylate) (PMMA) homopolymer in a preferential solvent for PS and PMMA is demonstrated. When the PS-b-P2VP/PMMA blend films were spin-coated onto a silicon wafer, PS-b-P2VP micellar arrays consisting of a PS corona and a P2VP core were formed, while the PMMA macrodomains were isolated, due to the

  6. The DinB•RecA complex of Escherichia coli mediates an efficient and high-fidelity response to ubiquitous alkylation lesions.

    Science.gov (United States)

    Cafarelli, Tiziana M; Rands, Thomas J; Godoy, Veronica G

    2014-03-01

    Alkylation DNA lesions are ubiquitous, and result from normal cellular metabolism as well as from treatment with methylating agents and chemotherapeutics. DNA damage tolerance by translesion synthesis DNA polymerases has an important role in cellular resistance to alkylating agents. However, it is not yet known whether Escherichia coli (E. coli) DNA Pol IV (DinB) alkylation lesion bypass efficiency and fidelity in vitro are similar to those inferred by genetic analyses. We hypothesized that DinB-mediated bypass of 3-deaza-3-methyladenine, a stable analog of 3-methyladenine, the primary replication fork-stalling alkylation lesion, would be of high fidelity. We performed here the first kinetic analyses of E. coli DinB•RecA binary complexes. Whether alone or in a binary complex, DinB inserted the correct deoxyribonucleoside triphosphate (dNTP) opposite either lesion-containing or undamaged template; the incorporation of other dNTPs was largely inefficient. DinB prefers undamaged DNA, but the DinB•RecA binary complex increases its catalytic efficiency on lesion-containing template, perhaps as part of a regulatory mechanism to better respond to alkylation damage. Notably, we find that a DinB derivative with enhanced affinity for RecA, either alone or in a binary complex, is less efficient and has a lower fidelity than DinB or DinB•RecA. This finding contrasts our previous genetic analyses. Therefore, mutagenesis resulting from alkylation lesions is likely limited in cells by the activity of DinB•RecA. These two highly conserved proteins play an important role in maintaining genomic stability when cells are faced with ubiquitous DNA damage. Kinetic analyses are important to gain insights into the mechanism(s) regulating TLS DNA polymerases. Copyright © 2013 Wiley Periodicals, Inc.

  7. 3,4,3-LI(1,2-HOPO): In Vitro Formation of Highly Stable Lanthanide Complexes Translates into Efficacious In Vivo Europium Decorporation

    Energy Technology Data Exchange (ETDEWEB)

    Sturzbecher-Hoehne, Manuel; Ng Pak Leung, Clara; Daleo, Anthony; Kullgren, Birgitta; Prigent, Anne-Laure; Shuh, David K.; Raymond, Kenneth N.; Abergel, Rebecca J.

    2011-07-13

    The spermine-based hydroxypyridonate octadentate chelator 3,4,3-LI(1,2-HOPO) was investigated for its ability to act as an antennae that sensitizes the emission of Sm{sup III}, Eu{sup III}, and Tb{sup III} in the Visible range (Φ{sub tot} = 0.2 - 7%) and the emission of Pr{sup III}, Nd{sup III}, Sm{sup III}, and Yb{sup III} in the Near Infra-Red range, with decay times varying from 1.78 μs to 805 μs at room temperature. The particular luminescence spectroscopic properties of these lanthanide complexes formed with 3,4,3-LI(1,2-HOPO) were used to characterize their respective solution thermodynamic stabilities as well as those of the corresponding La{sup III}, Gd{sup III}, Dy{sup III}, Ho{sup III}, Er{sup III}, Tm{sup III}, and Lu{sup III} complexes. The remarkably high affinity of 3,4,3-LI(1,2-HOPO) for lanthanide metal ions and the resulting high complex stabilities (pM values ranging from 17.2 for La{sup III} to 23.1 for Yb{sup III}) constitute a necessary but not sufficient criteria to consider this octadentate ligand an optimal candidate for in vivo metal decorporation. The in vivo lanthanide complex stability and decorporation capacity of the ligand were assessed, using the radioactive isotope {sup 152}Eu as a tracer in a rodent model, which provided a direct comparison with the in vitro thermodynamic results and demonstrated the great potential of 3,4,3-LI(1,2-HOPO) as a therapeutic metal chelating agent.

  8. Novel bipyridinyl oxadiazole-based metal coordination complexes: High efficient and green synthesis of 3,4-dihydropyrimidin-2(1H)-ones through the Biginelli reactions

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jin-Hua; Zhang, E. [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Tang, Gui-Mei, E-mail: meiguit@163.com [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Wang, Yong-Tao, E-mail: ceswyt@qlu.edu.cn [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Cui, Yue-Zhi [Department of Chemical Engineering, Shandong Provincial Key Laboratory of Fine Chemicals, Qilu University of Technology, Jinan 250353 (China); Ng, Seik Weng [Department of Chemistry, University of Malaya, Kuala Lumpur 50603 (Malaysia)

    2016-09-15

    Three new metal coordination complexes, namely, [Co(BPO){sub 2}(H{sub 2}O){sub 4}](BS){sub 2}(H{sub 2}O){sub 2} (1), [Co(BPO){sub 2}(H{sub 2}O){sub 4}](ABS){sub 2}(H{sub 2}O){sub 2} (2), [Co(BPO){sub 2}(H{sub 2}O){sub 4}