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Sample records for modeling group iv

  1. Bifactor model of WISC-IV: Applicability and measurement invariance in low and normal IQ groups.

    PubMed

    Gomez, Rapson; Vance, Alasdair; Watson, Shaun

    2017-07-01

    This study examined the applicability and measurement invariance of the bifactor model of the 10 Wechsler Intelligence Scale for Children-Fourth Edition (WISC-IV) core subtests in groups of children and adolescents (age range from 6 to 16 years) with low (IQ ≤79; N = 229; % male = 75.9) and normal (IQ ≥80; N = 816; % male = 75.0) IQ scores. Results supported this model in both groups, and there was good support for measurement invariance for this model across these groups. For all participants together, the omega hierarchical and explained common variance (ECV) values were high for the general factor and low to negligible for the specific factors. Together, the findings favor the use of the Full Scale IQ (FSIQ) scores of the WISC-IV, but not the subscale index scores. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  2. Thermal conductivity of group-IV semiconductors from a kinetic-collective model

    PubMed Central

    de Tomas, C.; Cantarero, A.; Lopeandia, A. F.; Alvarez, F. X.

    2014-01-01

    The thermal conductivity of group-IV semiconductors (silicon, germanium, diamond and grey tin) with several isotopic compositions has been calculated from a kinetic-collective model. From this approach, significantly different to Callaway-like models in its physical interpretation, the thermal conductivity expression accounts for a transition from a kinetic (individual phonon transport) to a collective (hydrodynamic phonon transport) behaviour of the phonon field. Within the model, we confirm the theoretical proportionality between the phonon–phonon relaxation times of the group-IV semiconductors. This proportionality depends on some materials properties and it allows us to predict the thermal conductivity of the whole group of materials without the need to fit each material individually. The predictions on thermal conductivities are in good agreement with experimental data over a wide temperature range. PMID:25197256

  3. Generalization of Weber's adiabatic bond charge model to amorphous group IV semiconductors

    NASA Astrophysics Data System (ADS)

    Winer, K.; Wooten, F.

    1984-11-01

    The generalization of Weber's adiabatic bond charge model to amorphous group IV semiconductors is described. Methods of relaxing the coordinates to their equilibrium configuration and of calculating the dynamical matrix for the phonon spectra are given. Particular emphasis is given to the optimization of the Coulomb subroutines required in this model. Estimates of computation time are included for the calculation of equilibrium configuration on a Cray computer.

  4. Transferable tight binding model for strained group IV and III-V heterostructures

    NASA Astrophysics Data System (ADS)

    Tan, Yaohua; Povolotskyi, Micheal; Kubis, Tillmann; Boykin, Timothy; Klimeck, Gerhard

    Modern semiconductor devices have reached critical device dimensions in the range of several nanometers. For reliable prediction of device performance, it is critical to have a numerical efficient model that are transferable to material interfaces. In this work, we present an empirical tight binding (ETB) model with transferable parameters for strained IV and III-V group semiconductors. The ETB model is numerically highly efficient as it make use of an orthogonal sp3d5s* basis set with nearest neighbor inter-atomic interactions. The ETB parameters are generated from HSE06 hybrid functional calculations. Band structures of strained group IV and III-V materials by ETB model are in good agreement with corresponding HSE06 calculations. Furthermore, the ETB model is applied to strained superlattices which consist of group IV and III-V elements. The ETB model turns out to be transferable to nano-scale hetero-structure. The ETB band structures agree with the corresponding HSE06 results in the whole Brillouin zone. The ETB band gaps of superlattices with common cations or common anions have discrepancies within 0.05eV.

  5. Modeling Group IV elements with new transferable tight-binding models

    SciTech Connect

    Kwon, I.; Biswas, R.

    1993-10-01

    An outstanding problem in the computer-based microscopic description of Group IV materials, is the need for an accurate transferable model of the energetic and electronic properties of semiconductor structures. The three complementary approaches have been the ab-initio method including Car-Parinello simulations, the classical molecular dynamics method, and tight-binding molecular dynamics. While being very accurate, the ab-initio molecular dynamics has been performed on small systems ({approximately}100 atoms) for short time scales ({approximately}10 ps). On the other hand, classical potential models have had much success in describing melting of silicon, amorphous silicon structures, thin film growth and a variety of computationally intensive molecular dynamics simulations. However, the classical based models do not contain important electronic information which is essential in a variety of problems in electronic materials such as determining the gap states for structural defects. The accuracy of the classical models in configurations, far from the fitting database, may be uncertain. Our approach is to find transferable tight-binding models for silicon that are in between the ab-initio simulations and the classical models for molecular dynamics in level of sophistication.

  6. IVS Working Group 4: VLBI Data Structures

    NASA Technical Reports Server (NTRS)

    Gipson, John

    2010-01-01

    In 2007 the IVS Directing Board established IVS Working Group 4 on VLBI Data Structures. This note discusses the current VLBI data format, goals for a new format, the history and formation of the Working Group, and a timeline for the development of a new VLBI data format.

  7. Giant piezoelectricity of monolayer group IV monochalcogenides

    NASA Astrophysics Data System (ADS)

    Fei, Ruixiang; Li, Wenbin; Li, Ju; Yang, Li

    We predict enormous, anisotropic piezoelectric effects in intrinsic monolayer group IV monochalcogenides (MX, M =Sn or Ge, X =Se or S), including SnSe, SnS, GeSe, and GeS. Using first-principle simulations based on the modern theory of polarization, we find that their piezoelectric coefficients are about one to two orders of magnitude larger than those of other 2D materials, such as MoS2 and GaSe, and bulk quartz and AlN which are widely used in industry. This enhancement is a result of the unique ``puckered'' C2v symmetry and electronic structure of monolayer group IV monochalcogenides. Given the achieved experimental advances in the fabrication of monolayers, their flexible character, and ability to withstand enormous strain, these 2D structures with giant piezoelectric effects may be promising for a broad range of applications such as nano-sized sensors, piezotronics, and energy harvesting in portable electronic devices.

  8. Development of Silicon-Based Group IV Lasers

    DTIC Science & Technology

    2014-05-01

    Final 3. DATES COVERED (From - To) 22 Aug 2011 – 21 Aug 2013 4. TITLE AND SUBTITLE Development of Silicon-Based Group IV Lasers 5a...project is to develop silicon-based group IV heterostructure lasers by the incorporation of anoth er group IV element of Sn. We have made significant...distribution is unlimited Final Report for AOARD Grant FA2386-11-1-4113 “Development of Silicon-Based Group IV Lasers ” 1/5/2014 Name of Principal

  9. Group IV photonics for the mid infrared

    NASA Astrophysics Data System (ADS)

    Soref, Richard

    2013-02-01

    This paper outlines the challenges and benefits of applying silicon-based photonic techniques in the 2 to 5 μm midinfrared (MIR) wavelength range for chem.-bio-physical sensing, medical diagnostics, industrial process control, environmental monitoring, secure communications, Ladar, active imaging, and high-speed communications at 2 μm. Onchip passive and active components, mostly waveguided, will enable opto-electronic CMOS or BiCMOS integrated "circuits" for system-on-a-chip applications such as spectroscopy and lab-on-a-chip. Volume manufacture in a silicon foundry is expected to yield low-cost (or even disposable) chips with benefits in size-weight-power and ruggedness. This is "long-wavelength optoelectronic integration on silicon" which we call LIOS. Room temperature operation appears feasible, albeit with performance compromises at 4 to 5 μm. In addition to the electronics layer (which may include RF wireless), a 3-D LIOS chip can include several inter-communicating layers utilizing the photonic, plasmonic, photoniccrystal and opto-electro-mechanical technologies. The LIOS challenge can be met by (1) discovering new physics, (2) employing "new" IV and III-V alloys, (3) scaling-up and modifying telecom components, and (4) applying nonlinearoptical wavelength conversion in some cases. This paper presents proposals for MIR chip spectrometers employing frequency-comb and Ge blackbody sources. Active heterostructures employing Si, Ge, SiGe, GeSn and SiGeSn are key for laser diodes, photodetectors, LEDs, switches, amplifiers, and modulators that provide totally monolithic foundry integration, while numerous III-V semiconductor MIR devices within the InGaAsSb and InGaAsP families offer practical hybrid integration on Si PICs. Interband cascade and quantum cascade lasers on Ge waveguides are important in this context.

  10. Oxidation Resistance of Monolayer Group-IV Monochalcogenides.

    PubMed

    Guo, Yu; Zhou, Si; Bai, Yizhen; Zhao, Jijun

    2017-03-21

    Ridged, orthorhombic two-dimensional (2D) group-V elemental and group IV-VI compound analogues of phosphorene provide a versatile platform for nanoelectronics, optoelectronics, and clean energy. However, phosphorene is vulnerable to oxygen in ambient air, which is a major obstacle for its applications. Regarding this issue, here we explore the oxidation behavior of monolayer group-IV monochalcogenides (GeS, GeSe, SnS, and SnSe), in comparison to that of phosphorene and arsenene by first-principles calculations. We find superior oxidation resistance of the monolayer group-IV monochalcogenides, with activation energies for the chemisorption of O2 on the 2D sheets in the range of 1.26-1.60 eV, about twice of the values of phosphorene and arsenene. The distinct oxidation behaviors of monolayer group-IV monochalcogenides and group-V phosphorene analogues originate from their different bond natures. Moreover, the chemisorption of a moderate amount of oxygen atoms does not severely deteriorate the electronic band structures of the monolayer group-IV monochalcogenides. These results shine light on the utilization of the monolayer group-IV monochalcogenides for next-generation 2D electronics and optoelectronics with high performance and stability.

  11. 77 FR 16508 - National Emission Standards for Hazardous Air Pollutant Emissions: Group IV Polymers and Resins...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-21

    ...: Group IV Polymers and Resins; Pesticide Active Ingredient Production; and Polyether Polyols Production... pollutants: National Emission Standards for Hazardous Air Pollutant Emissions: Group IV Polymers and Resins...: Group IV Polymers and Resins; Pesticide Active Ingredient Production; and Polyether Polyols...

  12. Superconductivity in intercalated group-IV honeycomb structures

    NASA Astrophysics Data System (ADS)

    Flores-Livas, José A.; Sanna, Antonio

    2015-02-01

    We present a theoretical investigation on the electron-phonon superconductivity of honeycomb M X2 layered structures where X is one element of group IV (C, Si, or Ge) and M is an alkali or an alkaline-earth metal. Among the studied compositions we predict a TC of 7 K in RbGe2, 9 K in RbSi2, and 11 K in SrC2. All these compounds feature a strongly anisotropic superconducting gap. Our results show that despite the different doping levels and structural properties, the three families of materials fall into a similar description of their superconducting behavior. This allows us to estimate an upper critical temperature of about 20 K for the class of intercalated group-IV structures, including intercalated graphite and doped graphene.

  13. Large excitonic effects in group-IV sulfide monolayers

    NASA Astrophysics Data System (ADS)

    Tuttle, Blair R.; Alhassan, Saeed M.; Pantelides, Sokrates T.

    2015-12-01

    Large exciton binding energies are a distinguishing feature of two-dimensional semiconductors because of reduced screening, potentially leading to unique optoelectronic applications. Here we use electronic structure methods to calculate the properties of a two-dimensional material class: group-IV monosulfides including SiS, GeS, and SnS. Bulk SiS is predicted to be a metastable layered material. Quasiparticle excitations are calculated with the G0W0 method and the Bethe-Salpeter equation is are used to include electron-hole interactions. For monolayers, strongly bound excitons are found below the quasiparticle absorption edge. The predicted excitonic binding energies are as high as 0.7 eV. Due to large excitonic effects, these group-IV sulfide monolayers have great potential for nanoscale optoelectronic applications.

  14. Band gap scaling laws in group IV nanotubes

    NASA Astrophysics Data System (ADS)

    Wang, Chongze; Fu, Xiaonan; Guo, Yangyang; Guo, Zhengxiao; Xia, Congxin; Jia, Yu

    2017-03-01

    By using the first-principles calculations, the band gap properties of nanotubes formed by group IV elements have been investigated systemically. Our results reveal that for armchair nanotubes, the energy gaps at K points in the Brillouin zone decrease as 1/r scaling law with the radii (r) increasing, while they are scaled by ‑1/r 2 + C at Γ points, here, C is a constant. Further studies show that such scaling law of K points is independent of both the chiral vector and the type of elements. Therefore, the band gaps of nanotubes for a given radius can be determined by these scaling laws easily. Interestingly, we also predict the existence of indirect band gap for both germanium and tin nanotubes. Our new findings provide an efficient way to determine the band gaps of group IV element nanotubes by knowing the radii, as well as to facilitate the design of functional nanodevices.

  15. Band gap scaling laws in group IV nanotubes.

    PubMed

    Wang, Chongze; Fu, Xiaonan; Guo, Yangyang; Guo, Zhengxiao; Xia, Congxin; Jia, Yu

    2017-03-17

    By using the first-principles calculations, the band gap properties of nanotubes formed by group IV elements have been investigated systemically. Our results reveal that for armchair nanotubes, the energy gaps at K points in the Brillouin zone decrease as 1/r scaling law with the radii (r) increasing, while they are scaled by -1/r (2) + C at Γ points, here, C is a constant. Further studies show that such scaling law of K points is independent of both the chiral vector and the type of elements. Therefore, the band gaps of nanotubes for a given radius can be determined by these scaling laws easily. Interestingly, we also predict the existence of indirect band gap for both germanium and tin nanotubes. Our new findings provide an efficient way to determine the band gaps of group IV element nanotubes by knowing the radii, as well as to facilitate the design of functional nanodevices.

  16. Beyond the Standard Model IV

    NASA Astrophysics Data System (ADS)

    Gunion, John F.; Han, Tao; Ohnemus, James

    1995-08-01

    The Table of Contents for the book is as follows: * Preface * Organizing and Advisory Committees * PLENARY SESSIONS * Looking Beyond the Standard Model from LEP1 and LEP2 * Virtual Effects of Physics Beyond the Standard Model * Extended Gauge Sectors * CLEO's Views Beyond the Standard Model * On Estimating Perturbative Coefficients in Quantum Field Theory and Statistical Physics * Perturbative Corrections to Inclusive Heavy Hadron Decay * Some Recent Developments in Sphalerons * Searching for New Matter Particles at Future Colliders * Issues in Dynamical Supersymmetry Breaking * Present Status of Fermilab Collider Accelerator Upgrades * The Extraordinary Scientific Opportunities from Upgrading Fermilab's Luminosity ≥ 1033 cm-2 sec-1 * Applications of Effective Lagrangians * Collider Phenomenology for Strongly Interacting Electroweak Sector * Physics of Self-Interacting Electroweak Bosons * Particle Physics at a TeV-Scale e+e- Linear Collider * Physics at γγ and eγ Colliders * Challenges for Non-Minimal Higgs Searchers at Future Colliders * Physics Potential and Development of μ+μ- Colliders * Beyond Standard Quantum Chromodynamics * Extracting Predictions from Supergravity/Superstrings for the Effective Theory Below the Planck Scale * Non-Universal SUSY Breaking, Hierarchy and Squark Degeneracy * Supersymmetric Phenomenology in the Light of Grand Unification * A Survey of Phenomenological Constraints on Supergravity Models * Precision Tests of the MSSM * The Search for Supersymmetry * Neutrino Physics * Neutrino Mass: Oscillations and Hot Dark Matter * Dark Matter and Large-Scale Structure * Electroweak Baryogenesis * Progress in Searches for Non-Baryonic Dark Matter * Big Bang Nucleosynthesis * Flavor Tests of Quark-Lepton * Where are We Coming from? What are We? Where are We Going? * Summary, Perspectives * PARALLEL SESSIONS * SUSY Phenomenology I * Is Rb Telling us that Superpartners will soon be Discovered? * Dark Matter in Constrained Minimal

  17. Group IV nanotube transistors for next generation ubiquitous computing

    NASA Astrophysics Data System (ADS)

    Fahad, Hossain M.; Hussain, Aftab M.; Sevilla Torres, Galo A.; Banerjee, Sanjay K.; Hussain, Muhammad M.

    2014-06-01

    Evolution in transistor technology from increasingly large power consuming single gate planar devices to energy efficient multiple gate non-planar ultra-narrow (< 20 nm) fins has enhanced the scaling trend to facilitate doubling performance. However, this performance gain happens at the expense of arraying multiple devices (fins) per operation bit, due to their ultra-narrow dimensions (width) originated limited number of charges to induce appreciable amount of drive current. Additionally arraying degrades device off-state leakage and increases short channel characteristics, resulting in reduced chip level energy-efficiency. In this paper, a novel nanotube device (NTFET) topology based on conventional group IV (Si, SiGe) channel materials is discussed. This device utilizes a core/shell dual gate strategy to capitalize on the volume-inversion properties of an ultra-thin (< 10 nm) group IV nanotube channel to minimize leakage and short channel effects while maximizing performance in an area-efficient manner. It is also shown that the NTFET is capable of providing a higher output drive performance per unit chip area than an array of gate-all-around nanowires, while maintaining the leakage and short channel characteristics similar to that of a single gate-all-around nanowire, the latter being the most superior in terms of electrostatic gate control. In the age of big data and the multitude of devices contributing to the internet of things, the NTFET offers a new transistor topology alternative with maximum benefits from performance-energy efficiency-functionality perspective.

  18. Synthesis and Properties of Group IV Graphane Analogues

    NASA Astrophysics Data System (ADS)

    Goldberger, Joshua

    Similar to how carbon networks can be sculpted into low-dimensional allotropes such as fullerenes, nanotubes, and graphene with fundamentally different properties, it is possible to create similar ligand terminated sp3-hybridized honeycomb graphane derivatives containing Ge or Sn that feature unique and tunable properties. Here, we will describe our recent success in the creation of hydrogen and organic-terminated group IV graphane analogues, from the topochemical deintercalation of precursor Zintl phases, such as CaGe2. We will discuss how the optical, electronic, and thermal properties of these materials can be systematically controlled by substituting either the surface ligand or via alloying with other Group IV elements. Additionally, we have also developed an epitopotaxial approach for integrating precise thicknesses of germanane layers onto Ge wafers that combines the epitaxial deposition of CaGe2 precursor phases with the topotactic interconversion into the 2D material. Finally, we will describe our recent efforts on the synthesis and crystal structures of Sn-containing graphane alloys in order to access novel topological phenomena predicted to occur in these graphanes.

  19. Nanomembrane-based materials for Group IV semiconductor quantum electronics

    PubMed Central

    Paskiewicz, D. M.; Savage, D. E.; Holt, M. V.; Evans, P. G.; Lagally, M. G.

    2014-01-01

    Strained-silicon/relaxed-silicon-germanium alloy (strained-Si/SiGe) heterostructures are the foundation of Group IV-element quantum electronics and quantum computation, but current materials quality limits the reliability and thus the achievable performance of devices. In comparison to conventional approaches, single-crystal SiGe nanomembranes are a promising alternative as substrates for the epitaxial growth of these heterostructures. Because the nanomembrane is truly a single crystal, in contrast to the conventional SiGe substrate made by compositionally grading SiGe grown on bulk Si, significant improvements in quantum electronic-device reliability may be expected with nanomembrane substrates. We compare lateral strain inhomogeneities and the local mosaic structure (crystalline tilt) in strained-Si/SiGe heterostructures that we grow on SiGe nanomembranes and on compositionally graded SiGe substrates, with micro-Raman mapping and nanodiffraction, respectively. Significant structural improvements are found using SiGe nanomembranes. PMID:24573089

  20. Nanomembrane-based materials for Group IV semiconductor quantum electronics.

    PubMed

    Paskiewicz, D M; Savage, D E; Holt, M V; Evans, P G; Lagally, M G

    2014-02-27

    Strained-silicon/relaxed-silicon-germanium alloy (strained-Si/SiGe) heterostructures are the foundation of Group IV-element quantum electronics and quantum computation, but current materials quality limits the reliability and thus the achievable performance of devices. In comparison to conventional approaches, single-crystal SiGe nanomembranes are a promising alternative as substrates for the epitaxial growth of these heterostructures. Because the nanomembrane is truly a single crystal, in contrast to the conventional SiGe substrate made by compositionally grading SiGe grown on bulk Si, significant improvements in quantum electronic-device reliability may be expected with nanomembrane substrates. We compare lateral strain inhomogeneities and the local mosaic structure (crystalline tilt) in strained-Si/SiGe heterostructures that we grow on SiGe nanomembranes and on compositionally graded SiGe substrates, with micro-Raman mapping and nanodiffraction, respectively. Significant structural improvements are found using SiGe nanomembranes.

  1. Polarization and valley switching in monolayer group-IV monochalcogenides

    NASA Astrophysics Data System (ADS)

    Hanakata, Paul Z.; Carvalho, Alexandra; Campbell, David K.; Park, Harold S.

    2016-07-01

    Group-IV monochalcogenides are a family of two-dimensional puckered materials with an orthorhombic structure that is comprised of polar layers. In this article, we use first principles calculations to show the multistability of monolayer SnS and GeSe, two prototype materials where the direction of the puckering can be switched by application of tensile stress or electric field. Furthermore, the two inequivalent valleys in momentum space, which are dictated by the puckering orientation, can be excited selectively using linearly polarized light, and this provides an additional tool to identify the polarization direction. Our findings suggest that SnS and GeSe monolayers may have observable ferroelectricity and multistability, with potential applications in information storage.

  2. Atmosphere of Mars: Mariner IV Models Compared.

    PubMed

    Fjeldbo, G; Fjeldbo, W C; Eshleman, V R

    1966-09-23

    Three classes of models for the atmosphere of Mars differ in identifying the main ionospheric layer measured by Mariner IV as being analogous to a terrestrial F(2), F(1), or E layer. At an altitude of several hundred kilometers, the relative atmospheric mass densities for these models (in the order named) are approximately 1, 10(2), and 10(4), and the temperatures are roughly 100 degrees , 200 degrees , and 400 degrees K. Theory and observation are in best agreement for an F, s model, for which photodissociation of CO(2), and diffusive separation result in an atomic-oxygen upper atmosphere, with O(+) being the principal ion in the isothermal topside of the ionosphere. The mesopause temperature minimum would be at or below the freezing point of CO(2), and dry ice particles would be expected to form. However, an F(1) model, with molecular ions in a mixed and warmer upper atmosphere, might result if photodissociation and diffusive separation are markedly less than would be expected from analogy with Earth's upper atmosphere. The E model proposed by Chamberlain and McElroy appears very unlikely; it is not compatible with the measured ionization profile unless rather unlikely assumptions are made about the values, and changes with height, of the effective recombination coefficient and the average ion mass. Moreover our theoretical heat-budget computations for the atmospheric region probed by Mariner IV indicate markedly lower temperatures and temperature gradients than were obtained for the E model.

  3. Single-layer group IV-V and group V-IV-III-VI semiconductors: Structural stability, electronic structures, optical properties, and photocatalysis

    NASA Astrophysics Data System (ADS)

    Lin, Jia-He; Zhang, Hong; Cheng, Xin-Lu; Miyamoto, Yoshiyuki

    2017-07-01

    Recently, single-layer group III monochalcogenides have attracted both theoretical and experimental interest at their potential applications in photonic devices, electronic devices, and solar energy conversion. Excited by this, we theoretically design two kinds of highly stable single-layer group IV-V (IV =Si ,Ge , and Sn; V =N and P) and group V-IV-III-VI (IV =Si ,Ge , and Sn; V =N and P; III =Al ,Ga , and In; VI =O and S) compounds with the same structures with single-layer group III monochalcogenides via first-principles simulations. By using accurate hybrid functional and quasiparticle methods, we show the single-layer group IV-V and group V-IV-III-VI are indirect bandgap semiconductors with their bandgaps and band edge positions conforming to the criteria of photocatalysts for water splitting. By applying a biaxial strain on single-layer group IV-V, single-layer group IV nitrides show a potential on mechanical sensors due to their bandgaps showing an almost linear response for strain. Furthermore, our calculations show that both single-layer group IV-V and group V-IV-III-VI have absorption from the visible light region to far-ultraviolet region, especially for single-layer SiN-AlO and SnN-InO, which have strong absorption in the visible light region, resulting in excellent potential for solar energy conversion and visible light photocatalytic water splitting. Our research provides valuable insight for finding more potential functional two-dimensional semiconductors applied in optoelectronics, solar energy conversion, and photocatalytic water splitting.

  4. Two-dimensional multiferroics in monolayer group IV monochalcogenides

    NASA Astrophysics Data System (ADS)

    Wang, Hua; Qian, Xiaofeng

    2017-03-01

    Low-dimensional multiferroic materials hold great promises in miniaturized device applications such as nanoscale transducers, actuators, sensors, photovoltaics, and nonvolatile memories. Here, using first-principles theory we predict that two-dimensional (2D) monolayer group IV monochalcogenides including GeS, GeSe, SnS, and SnSe are a class of 2D semiconducting multiferroics with giant strongly-coupled in-plane spontaneous ferroelectric polarization and spontaneous ferroelastic lattice strain that are thermodynamically stable at room temperature and beyond, and can be effectively modulated by elastic strain engineering. Their optical absorption spectra exhibit strong in-plane anisotropy with visible-spectrum excitonic gaps and sizable exciton binding energies, rendering the unique characteristics of low-dimensional semiconductors. More importantly, the predicted low domain wall energy and small migration barrier together with the coupled multiferroic order and anisotropic electronic structures suggest their great potentials for tunable multiferroic functional devices by manipulating external electrical, mechanical, and optical field to control the internal responses, and enable the development of four device concepts including 2D ferroelectric memory, 2D ferroelastic memory, and 2D ferroelastoelectric nonvolatile photonic memory as well as 2D ferroelectric excitonic photovoltaics.

  5. Ratchet model for type IV pilus retraction

    NASA Astrophysics Data System (ADS)

    Lindén, Martin; Tuohimaa, Tomi; Jonsson, Ann-Beth; Wallin, Mats

    2004-03-01

    Type IV pilus rectraction is required for twitching motility in a wide range of bacteriae, including Neisseria gonorrhoeae, Myxococcus xanthus and Pseudomonas aeruginosa. The mechanism of retraction is believed to be filament disassembly mediated by PilT, a member of the AAA family of motor proteins. Recent laser tweezer measurements of the force-velocity relation of PilT in N. gonorrhoeae, reveal that single PilT complexes generate forces of over 100 pN. We assume that PilT forms a cyclic ATPase surrounding the base of the pilus and formulate a model of retraction in terms of coupled flashing ratchets. We obtain a force-velocity relation by numerical simulation of the model which is in qualitative agreement with the experimental results.

  6. Diversity of the Germination Apparatus in Clostridium botulinum Groups I, II, III, and IV

    PubMed Central

    Brunt, Jason; van Vliet, Arnoud H. M.; van den Bos, Fédor; Carter, Andrew T.; Peck, Michael W.

    2016-01-01

    Clostridium botulinum is a highly dangerous pathogen that forms very resistant endospores that are ubiquitous in the environment, and which, under favorable conditions germinate to produce vegetative cells that multiply and form the exceptionally potent botulinum neurotoxin. To improve the control of botulinum neurotoxin-forming clostridia, it is important to understand the mechanisms involved in spore germination. Here we present models for spore germination in C. botulinum based on comparative genomics analyses, with C. botulinum Groups I and III sharing similar pathways, which differ from those proposed for C. botulinum Groups II and IV. All spores germinate in response to amino acids interacting with a germinant receptor, with four types of germinant receptor identified [encoded by various combinations of gerA, gerB, and gerC genes (gerX)]. There are three gene clusters with an ABC-like configuration; ABC [gerX1], ABABCB [gerX2] and ACxBBB [gerX4], and a single CA-B [gerX3] gene cluster. Subtypes have been identified for most germinant receptor types, and the individual GerX subunits of each cluster show similar grouping in phylogenetic trees. C. botulinum Group I contained the largest variety of gerX subtypes, with three gerX1, three gerX2, and one gerX3 subtypes, while C. botulinum Group III contained two gerX1 types and one gerX4. C. botulinum Groups II and IV contained a single germinant receptor, gerX3 and gerX1, respectively. It is likely that all four C. botulinum Groups include a SpoVA channel involved in dipicolinic acid release. The cortex-lytic enzymes present in C. botulinum Groups I and III appear to be CwlJ and SleB, while in C. botulinum Groups II and IV, SleC appears to be important. PMID:27840626

  7. Optical Harmonic Generation from Interfaces with Group IV Semiconductors.

    NASA Astrophysics Data System (ADS)

    Bottomley, David John

    Nonlinear optical techniques have been used to investigate the symmetry properties of interfaces between media comprising at least one Group IV semiconductor. Second harmonic generation (SHG) and third harmonic generation (THG) have been performed for s and p polarization states of the fundamental and harmonic beams as a function of sample azimuthal angle at a fixed fundamental wavelength of 775 nm. In addition to these experimental measurements, the thesis contains theoretical calculations of the optical harmonic response from such media with vicinal surfaces, that is surfaces miscut from a low-index face by {<}{~}10^ circ. The phenomenological theory of Sipe, Moss and van Driel (Phys. Rev. B 35, 1129 (1987)) for SHG and THG in reflection from the low-index faces of cubic centrosymmetric media has been extended to all faces of both cubic centrosymmetric and cubic noncentrosymmetric media. This theory is applied in many parts of the thesis to interpreting the symmetry information present in nonlinear optical data. Experimentally, measurements of SHG and THG from vicinal semiconductor wafers have been performed, and using the above theory the wafer orientations have been obtained to within +/-0.1^circ . In addition, the above theory has been applied to achieve an approximate separation of bulk and surface contributions to SHG measurements from vincinal Si(001) and Si(111) surfaces which Sipe et al. showed is not possible on the low-index faces. The SiO_2/Si interface on vicinal Si(001) has been studied with SHG, and evidence has been obtained for the presence of noncentrosymmetric phases of c-SiO_2 at this interface whose relative concentrations are influenced by the oxidation conditions. For oxidation temperatures below 600 ^circC, the SHG data is shown to be consistent with the presence of tridymite at the buried interface, whereas for oxidation at 900^ circC the SHG data is consistent with the presence of cristobalite. Finally, SHG has been measured from odd

  8. Grouping Children for Instruction in Team Teaching. Module IV.

    ERIC Educational Resources Information Center

    York, L. Jean

    The fourth of seven modules on team teaching, this document deals with grouping children for instruction, in order that teachers may understand the purposes of grouping, the various kinds of grouping, the variables to be considered in choosing a method, the ways grouping can facilitate individualized instruction, and the need for a flexible…

  9. Wyoming's Early Settlement and Ethnic Groups, Unit IV.

    ERIC Educational Resources Information Center

    Robinson, Terry

    This unit on Wyoming's early settlement and ethnic groups provides concepts, activities, stories, charts, and graphs for elementary school students. Concepts include the attraction Wyoming held for trappers; the major social, economic, and religious event called "The Rendezvous"; the different ethnic and religious groups that presently…

  10. Psychometric Properties of the Generalized Anxiety Disorder Questionnaire for DSM-IV Among Four Racial Groups

    PubMed Central

    Robinson, Christina M.; Klenck, Suzanne C.; Norton, Peter J.

    2010-01-01

    The Generalized Anxiety Disorder Questionnaire-IV (GAD-Q-IV) is a self-report diagnostic measure of generalized anxiety disorder. Previous studies have established the psychometric properties of the GAD-Q-IV revealing excellent diagnostic specificity and sensitivity as well as good test-retest reliability and convergent and discriminant validity (Newman et al., 2002). Recent analyses with other measures of anxiety symptoms have revealed differences across racial or national groups. Given that the GAD-Q-IV was tested primarily on Caucasian (78%) participants, the purpose of this study was to demonstrate the psychometric properties of the GAD-Q-IV across four racial groups: African American, Caucasian, Hispanic/Latino, and Asian. A student sample of 585 undergraduate psychology students completed the GAD-Q-IV as well as other measures of anxiety symptoms. A clinical replication sample was obtained from 188 clinical participants who completed the GAD-Q-IV as part of a larger psychotherapy study. Results indicated excellent and very similar factor structures in the student sample, and similar psychometric properties across both samples across the racial groups. Implications for the use of the GAD-Q-IV across racial groups are discussed. PMID:20830629

  11. Cationic Group-IV pincer-type complexes for polymerization and hydroamination catalysis.

    PubMed

    Luconi, Lapo; Klosin, Jerzy; Smith, Austin J; Germain, Stéphane; Schulz, Emmanuelle; Hannedouche, Jérôme; Giambastiani, Giuliano

    2014-03-21

    Neutral Zr(IV) and Hf(IV) dimethyl complexes stabilized by unsymmetrical dianionic {N,C,N'} pincer ligands have been prepared from their corresponding bis-amido complexes upon treatment with AlMe₃. Their structure consists of a central ó-bonded aryl donor group (C) capable of forming robust M-C bonds with the metal center, enforced by the synergic effect of both the coordination of peripheral donor groups (N) and the chelating rigid structure of the {N,C,N} ligand framework. Such a combination translates into systems having a unique balance between stability and reactivity. These Zr(IV) and Hf(IV) dimethyl complexes were converted in situ into cationic species [M(IV){N⁻,C⁻,N}Me][B(C₆F₅)₄] which are active catalysts for the room temperature (r.t.) intramolecular hydroamination/cyclization of primary and secondary aminoalkenes as well as for the high temperature ethylene-1-octene copolymerizations.

  12. Hydrogen-bond Specific Materials Modification in Group IV Semiconductors

    SciTech Connect

    Tolk, Norman H.; Feldman, L. C.; Luepke, G.

    2015-09-14

    impurity states under transient compression. This research focused on the characterization of photon and ion stimulated hydrogen related defect and impurity reactions and migration in solid state matter, which requires a detailed understanding of the rates and pathways of vibrational energy flow, of the transfer channels and of the coupling mechanisms between local vibrational modes (LVMs) and phonon bath as well as the electronic system of the host material. It should be stressed that researchers at Vanderbilt and William and Mary represented a unique group with a research focus and capabilities for low temperature creation and investigation of such material systems. Later in the program, we carried out a vigorous research effort addressing the roles of defects, interfaces, and dopants on the optical and electronic characteristics of semiconductor crystals, using phonon generation by means of ultrafast coherent acoustic phonon (CAP) spectroscopy, nonlinear characterization using second harmonic generation (SHG), and ultrafast pump-and-probe reflectivity and absorption measurements. This program featured research efforts from hydrogen defects in silicon alone to other forms of defects such as interfaces and dopant layers, as well as other important semiconducting systems. Even so, the emphasis remains on phenomena and processes far from equilibrium, such as hot electron effects and travelling localized phonon waves. This program relates directly to the mission of the Department of Energy. Knowledge of the rates and pathways of vibrational energy flow in condensed matter is critical for understanding dynamical processes in solids including electronically, optically and thermally stimulated defect and impurity reactions and migration. The ability to directly probe these pathways and rates allows tests of theory and scaling laws at new levels of precision. Hydrogen embedded in model crystalline semiconductors and metal oxides is of particular interest, since the associated

  13. Atomic Layer Epitaxy of Group IV Materials: Surface Processes, Thin Films, Devices and their Characterization

    DTIC Science & Technology

    1993-12-01

    U AD-A274 325 Semiannual Technical Report U Atomic Layer Epitaxy of Group IV Materials: Surface Processes, Thin Films, Devices and Their... Group IV Materials: Surface Processes, Thin 414v001---01 Films, Devices and Their Characterization 1114SS S. AUTHOS) N00179 Robert F. Davis, Salah... Conformal deposition of SiC has been demonstrated within trenches etched into Si(100) wafers. P-type films have also been achieved using Al as a

  14. Evaluation of multidimensional models of WAIS-IV subtest performance.

    PubMed

    McFarland, Dennis J

    The present study examined the extent to which the covariance structure of the WAIS-IV is best accounted for by models that assume that test performance is the result of group-level factors and multiple independent general factors. Structural models with one to four general factors were evaluated with either four or five group-level factors. Simulations based on four general factors were run to clarify the adequacy of the estimates of the allocation of covariance by the models. Four independent general factors provided better fit than a single general factor for either model with four or five group-level factors. While one of the general factors had much larger loadings than all other factors, simulation results suggested that this might be an artifact of the statistical procedure rather than a reflection of the nature of individual differences in cognitive abilities. These results argue against the contention that clinical interpretation of cognitive test batteries should primarily be at the level of general intelligence. It is a fallacy to assume that factor analysis can reveal the structure of human abilities. Test validity should not be based solely on the results of modeling the covariance of test batteries.

  15. Group Sparse Additive Models

    PubMed Central

    Yin, Junming; Chen, Xi; Xing, Eric P.

    2016-01-01

    We consider the problem of sparse variable selection in nonparametric additive models, with the prior knowledge of the structure among the covariates to encourage those variables within a group to be selected jointly. Previous works either study the group sparsity in the parametric setting (e.g., group lasso), or address the problem in the nonparametric setting without exploiting the structural information (e.g., sparse additive models). In this paper, we present a new method, called group sparse additive models (GroupSpAM), which can handle group sparsity in additive models. We generalize the ℓ1/ℓ2 norm to Hilbert spaces as the sparsity-inducing penalty in GroupSpAM. Moreover, we derive a novel thresholding condition for identifying the functional sparsity at the group level, and propose an efficient block coordinate descent algorithm for constructing the estimate. We demonstrate by simulation that GroupSpAM substantially outperforms the competing methods in terms of support recovery and prediction accuracy in additive models, and also conduct a comparative experiment on a real breast cancer dataset.

  16. Adsorption and dynamics of group IV, V atoms and molecular oxygen on semiconductor group IV (0 0 1) surfaces.

    PubMed

    Afanasieva, T

    2016-08-10

    In this review we address (1) the co-adsorption of group V (As, Sb, Bi) atoms and molecular oxygen on the Si(0 0 1) surface and (2) the adsorption and dynamics of Sb, Bi, Si and Ge ad-dimers on the Si(0 0 1) and Ge(0 0 1) surfaces. The adsorption and diffusion processes of group IV and V atoms on the (0 0 1) surfaces of group IV semiconductor surfaces have been studied using multi-configuration self-consistent field methods and density functional theory calculations. Results obtained by various types of first-principle total energy calculations are mutually compared and discussed. Our results demonstrate the capability of these quantum chemistry methods to provide relevant and reliable information on the interaction between adsorbate and semiconductor surfaces.

  17. Optimization of TCR and heat transport in group-IV multiple-quantum-well microbolometers

    NASA Astrophysics Data System (ADS)

    Morea, Matthew; Gu, Kevin; Savikhin, Victoria; Fenrich, Colleen S.; Pop, Eric; Harris, James S.

    2016-09-01

    Group-IV semiconductors have the opportunity to have an equivalent or better temperature coefficient of resistance (TCR) than other microbolometer thermistor materials. By using multiple-quantum-well (MQW) structures, their TCR values can be optimized due to a confinement of carriers. Through two approaches - an activation energy approximation and a custom Monte Carlo transfer matrix method - we simulated this effect for a combination of Group-IV semiconductors and their alloys (e.g., SiGe and GeSn) to find the highest possible TCR, while keeping in mind the critical thicknesses of such layers in a MQW epitaxial stack. We calculated the TCR for a critical-thickness-limited Ge0.8Sn0.2/Ge MQW device to be about -1.9 %/K. Although this TCR is lower than similar SiGe/Si MQW thermistors, GeSn offers possible advantages in terms of fabricating suspended devices with its interesting etch-stop properties shown in previous literature. Furthermore, using finite element modeling of heat transport, we looked at another key bolometer parameter: the thermal time constant. The dimensions of a suspended Ge microbolometer's supporting legs were fine-tuned for a target response time of 5 ms, incorporating estimations for the size effects of the nanowire-like legs on thermal conductivity.

  18. Introduction of bifunctional groups into mesoporous silica for enhancing uptake of thorium(IV) from aqueous solution.

    PubMed

    Yuan, Li-Yong; Bai, Zhi-Qiang; Zhao, Ran; Liu, Ya-Lan; Li, Zi-Jie; Chu, Sheng-Qi; Zheng, Li-Rong; Zhang, Jing; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun

    2014-04-09

    The potential industrial application of thorium (Th), as well as the environmental and human healthy problems caused by thorium, promotes the development of reliable methods for the separation and removal of Th(IV) from environmental and geological samples. Herein, the phosphonate-amino bifunctionalized mesoporous silica (PAMS) was fabricated by a one-step self-assembly approach for enhancing Th(IV) uptake from aqueous solution. The synthesized sorbent was found to possess ordered mesoporous structures with uniform pore diameter and large surface area, characterized by SEM, XRD, and N2 sorption/desorption measurements. The enhancement of Th(IV) uptake by PAMS was achieved by coupling of an access mechanism to a complexation mechanism, and the sorption can be optimized by adjusting the coverage of the functional groups in the PAMS sorbent. The systemic study on Th(IV) sorption/desorption by using one coverage of PAMS (PAMS12) shows that the Th(IV) sorption by PAMS is fast with equilibrium time of less than 1 h, and the sorption capacity is more than 160 mg/g at a relatively low pH. The sorption isotherm has been successfully modeled by the Langmuir isotherm and D-R isotherm, which reveals a monolayer homogeneous chemisorption of Th(IV) in PAMS. The Th(IV) sorption by PAMS is pH dependent but ionic strength independent. In addition, the sorbed Th(IV) can be completely desorbed using 0.2 mol/L or more concentrated nitric acid solution. The sorption test performed in the solution containing a range of competing metal ions suggests that the PAMS sorbent has a desirable selectivity for Th(IV) ions.

  19. Voltage-dependent sodium (NaV) channels in group IV sensory afferents

    PubMed Central

    Elmslie, Keith S

    2016-01-01

    Patients with intermittent claudication suffer from both muscle pain and an exacerbated exercise pressor reflex. Excitability of the group III and group IV afferent fibers mediating these functions is controlled in part by voltage-dependent sodium (NaV) channels. We previously found tetrodotoxin-resistant NaV1.8 channels to be the primary type in muscle afferent somata. However, action potentials in group III and IV afferent axons are blocked by TTX, supporting a minimal role of NaV1.8 channels. To address these apparent differences in NaV channel expression between axon and soma, we used immunohistochemistry to identify the NaV channels expressed in group IV axons within the gastrocnemius muscle and the dorsal root ganglia sections. Positive labeling by an antibody against the neurofilament protein peripherin was used to identify group IV neurons and axons. We show that >67% of group IV fibers express NaV1.8, NaV1.6, or NaV1.7. Interestingly, expression of NaV1.8 channels in group IV somata was significantly higher than in the fibers, whereas there were no significant differences for either NaV1.6 or NaV1.7. When combined with previous work, our results suggest that NaV1.8 channels are expressed in most group IV axons, but that, under normal conditions, NaV1.6 and/or NaV1.7 play a more important role in action potential generation to signal muscle pain and the exercise pressor reflex. PMID:27385723

  20. Mechanistic and cytotoxicity studies of group IV β-diketonate complexes.

    PubMed

    Lord, Rianne M; Mannion, James J; Hebden, Andrew J; Nako, Adi E; Crossley, Benjamin D; McMullon, Max W; Janeway, Felix D; Phillips, Roger M; McGowan, Patrick C

    2014-06-01

    Group IV metal complexes have previously shown promise as novel anticancer agents. Here, we discuss the mechanistic and cytotoxic nature of a series of group IV β-diketonate coordination complexes. Clear evidence that the ligands are exchangeable on the metal centre and that the β-diketonate ligands can act as potential drug delivery vehicles of the group IV metal ions was obtained. When evaluated for the cytotoxicity against human colon adenocarcinoma (HT-29) and human breast adenocarcinoma (MCF-7) cell lines, a general trend of decreasing potency down the group IV metals was observed. The most promising results obtained were for the hafnium complexes, with the tris diphenyl β-diketonate hafnium complex exhibiting IC50 values of 4.9 ± 0.9 μM and 3.2 ± 0.3 μM against HT-29 and MCF-7, respectively, which are comparable with the activity of cisplatin against the same cell lines. This tri β-diketonate hafnium complex is the first to show potent in vitro cytotoxic activity. The results reported show that ligand design has a significant effect on the cytotoxic potential of the complexes, and that these group IV complexes warrant further evaluation as novel metal-containing anticancer agents. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. The Specification of Causal Models with Tetrad IV: A Review

    ERIC Educational Resources Information Center

    Landsheer, J. A.

    2010-01-01

    Tetrad IV is a program designed for the specification of causal models. It is specifically designed to search for causal relations, but also offers the possibility to estimate the parameters of a structural equation model. It offers a remarkable graphical user interface, which facilitates building, evaluating, and searching for causal models. The…

  2. A Spectrum of IV and V Modeling Techniques

    NASA Technical Reports Server (NTRS)

    Heimdahl, Mats; Owen, David

    2004-01-01

    The aerospace industry in general and NASA in particular is using more (semi-formal) model-based software development. Model-based development produces a collection of artifacts, for example, state diagrams, module diagrams (such as class diagrams), control-block diagrams, etc. These artifacts may than be used as a basis for auto code generation for production use. Therefore, these models must be properly evaluated in the IV and V process. IV and V practitioners know how assess standard procedural systems. But what can we du about IV and V of model-based systems? The goal of the work outlined in this proposal is to use cost effective automated techniques to the largest extent possible during the IV and V process. Our working hypotheses are: 1. There exists a range of validation techniques that can assess models built using a range of modeling techniques of increasing cost and complexity. Specifically, we hypotesize that the "cheaper" techniques can find faults cheaply and early in a project. These early results are then used to predict if this is a problem system and if a more elaborate and expensive IV and V effort is justified. 2. There exists a set of migration procedures that let us seamlessly move from simple models using cheaper techniques into more elaborate models suitable for a more expensive and detailed analysis. 3. We further hypothesize that this migration process is much cheaper than simply remodeling the system under investigation from scratch when moving to models needed for the more detailed and expensive IV and V assessments.

  3. Group Capability Model

    NASA Technical Reports Server (NTRS)

    Olejarski, Michael; Appleton, Amy; Deltorchio, Stephen

    2009-01-01

    The Group Capability Model (GCM) is a software tool that allows an organization, from first line management to senior executive, to monitor and track the health (capability) of various groups in performing their contractual obligations. GCM calculates a Group Capability Index (GCI) by comparing actual head counts, certifications, and/or skills within a group. The model can also be used to simulate the effects of employee usage, training, and attrition on the GCI. A universal tool and common method was required due to the high risk of losing skills necessary to complete the Space Shuttle Program and meet the needs of the Constellation Program. During this transition from one space vehicle to another, the uncertainty among the critical skilled workforce is high and attrition has the potential to be unmanageable. GCM allows managers to establish requirements for their group in the form of head counts, certification requirements, or skills requirements. GCM then calculates a Group Capability Index (GCI), where a score of 1 indicates that the group is at the appropriate level; anything less than 1 indicates a potential for improvement. This shows the health of a group, both currently and over time. GCM accepts as input head count, certification needs, critical needs, competency needs, and competency critical needs. In addition, team members are categorized by years of experience, percentage of contribution, ex-members and their skills, availability, function, and in-work requirements. Outputs are several reports, including actual vs. required head count, actual vs. required certificates, CGI change over time (by month), and more. The program stores historical data for summary and historical reporting, which is done via an Excel spreadsheet that is color-coded to show health statistics at a glance. GCM has provided the Shuttle Ground Processing team with a quantifiable, repeatable approach to assessing and managing the skills in their organization. They now have a common

  4. Computational prediction of two-dimensional group-IV mono-chalcogenides

    NASA Astrophysics Data System (ADS)

    Singh, Arunima K.; Hennig, Richard G.

    2014-07-01

    Density functional calculations determine the structure, stability, and electronic properties of two-dimensional materials in the family of group-IV monochalcogenides, MX (M = Ge, Sn, Pb; X = O, S, Se, Te). Calculations with a van der Waals functional show that the two-dimensional IV-VI compounds are most stable in either a highly distorted NaCl-type structure or a single-layer litharge type tetragonal structure. Their formation energies are comparable to single-layer MoS2, indicating the ease of mechanical exfoliation from their layered bulk structures. The phonon spectra confirm their dynamical stability. Using the hybrid HSE06 functional, we find that these materials are semiconductors with bandgaps that are generally larger than for their bulk counterparts due to quantum confinement. The band edge alignments of monolayer group IV-VI materials reveal several type-I and type-II heterostructures, suited for optoelectronics and solar energy conversion.

  5. Spectrosmicroscopic and spectroscopic investigation of U(IV) speciation in model mineral-organic matter assemblages

    NASA Astrophysics Data System (ADS)

    Bone, S.; Dynes, J.; Bargar, J.

    2015-12-01

    Both nanocrystalline uraninite (UO2) and non-crystalline U(IV) occur in anoxic sediments, controlling the fate and transport of U in contaminated aquifers. It is important to distinguish between these forms of U because non-crystalline species are more reactive towards oxidants and aqueous complexing ligands, increasing the likelihood of U re-release into groundwater in the presence of such solutes. Much work has been done to elucidate microbiological and geochemical conditions favoring non-crystalline U(IV) or UO2 formation, primarily in model systems containing a single type of U(VI)-reducing bacterium. Research suggests that microbial biomass, including cell walls and exopolymeric substances (EPS), can adsorb U(IV), likely via phosphoryl groups. Furthermore, conditions that favor EPS formation appear to promote non-crystalline U(IV) formation. Non-crystalline U(IV) formation is also favored in the presence of phosphate. However, U(IV) behavior in complicated systems containing competing U(IV) sorbents has not been studied. Investigations of U(IV) behavior in such systems are needed to understand uranium mobility in natural sediments, which contain multiple sinks for U(IV). We have developed a model system in which the native microbial consortia associated with partially decayed plant roots utilize homogenized root material to facilitate U(VI) reduction during anaerobic incubations. The model is intended to simulate an environment similar to that found in anoxic sediments where buried organic matter drives anaerobic respiration. We use this model to address the following questions: (1) Does U(IV) become associated with organic materials or minerals (or both)? (2) Does U(IV) form complexes with particular ligands, such as P? (3) Is UO2 produced when aqueous U(VI) concentrations are relatively low (~1 μM), which is typical of even contaminated sites? We have found that U(IV) does not form UO2 at low, environmentally relevant U:sorbent ratios. Furthermore

  6. Spectrosmicroscopic and spectroscopic investigation of U(IV) speciation in model mineral-organic matter assemblages

    NASA Astrophysics Data System (ADS)

    Booij, M. J.; Houtenbos, H.; Hoekstra, A. Y. Y.

    2014-12-01

    Both nanocrystalline uraninite (UO2) and non-crystalline U(IV) occur in anoxic sediments, controlling the fate and transport of U in contaminated aquifers. It is important to distinguish between these forms of U because non-crystalline species are more reactive towards oxidants and aqueous complexing ligands, increasing the likelihood of U re-release into groundwater in the presence of such solutes. Much work has been done to elucidate microbiological and geochemical conditions favoring non-crystalline U(IV) or UO2 formation, primarily in model systems containing a single type of U(VI)-reducing bacterium. Research suggests that microbial biomass, including cell walls and exopolymeric substances (EPS), can adsorb U(IV), likely via phosphoryl groups. Furthermore, conditions that favor EPS formation appear to promote non-crystalline U(IV) formation. Non-crystalline U(IV) formation is also favored in the presence of phosphate. However, U(IV) behavior in complicated systems containing competing U(IV) sorbents has not been studied. Investigations of U(IV) behavior in such systems are needed to understand uranium mobility in natural sediments, which contain multiple sinks for U(IV). We have developed a model system in which the native microbial consortia associated with partially decayed plant roots utilize homogenized root material to facilitate U(VI) reduction during anaerobic incubations. The model is intended to simulate an environment similar to that found in anoxic sediments where buried organic matter drives anaerobic respiration. We use this model to address the following questions: (1) Does U(IV) become associated with organic materials or minerals (or both)? (2) Does U(IV) form complexes with particular ligands, such as P? (3) Is UO2 produced when aqueous U(VI) concentrations are relatively low (~1 μM), which is typical of even contaminated sites? We have found that U(IV) does not form UO2 at low, environmentally relevant U:sorbent ratios. Furthermore

  7. Theory and modeling group

    NASA Technical Reports Server (NTRS)

    Holman, Gordon D.

    1989-01-01

    The primary purpose of the Theory and Modeling Group meeting was to identify scientists engaged or interested in theoretical work pertinent to the Max '91 program, and to encourage theorists to pursue modeling which is directly relevant to data which can be expected to result from the program. A list of participants and their institutions is presented. Two solar flare paradigms were discussed during the meeting -- the importance of magnetic reconnection in flares and the applicability of numerical simulation results to solar flare studies.

  8. Cationic Group-IV pincer-type complexes for polymerization and hydroamination catalysis.

    PubMed

    Luconi, Lapo; Klosin, Jerzy; Smith, Austin J; Germain, Stéphane; Schulz, Emmanuelle; Hannedouche, Jérôme; Giambastiani, Giuliano

    2013-12-07

    Neutral Zr(IV) and Hf(IV) dimethyl complexes stabilized by unsymmetrical dianionic {N,C,N'} pincer ligands have been prepared from their corresponding bis-amido complexes upon treatment with AlMe3. Their structure consists of a central σ-bonded aryl donor group (C) capable of forming robust M-C bonds with the metal center, enforced by the synergic effect of both the coordination of peripheral donor groups (N) and the chelating rigid structure of the {N,C,N} ligand framework. Such a combination translates into systems having a unique balance between stability and reactivity. These Zr(IV) and Hf(IV) dimethyl complexes were converted in situ into cationic species [M(IV){N(-),C(-),N}Me][B(C6F5)4] which are active catalysts for the room temperature (r.t.) intramolecular hydroamination/cyclization of primary and secondary aminoalkenes as well as for the high temperature ethylene-1-octene copolymerizations.

  9. CDC Group IV c-2: a New Ralstonia Species Close to Ralstonia eutropha

    PubMed Central

    Moissenet, Didier; Goujon, Christophe P.; Garbarg-Chenon, Antoine; Vu-Thien, Hoang

    1999-01-01

    CDC group IV c-2, an environmental gram-negative bacillus recently proposed for inclusion in the genus Ralstonia, has been isolated in several human infections. Biochemical characterization and 16S ribosomal DNA (rDNA) sequencing with phylogenetic analysis were used to characterize eight clinical isolates and four type strains. Other typing tools, such as pulsed-field gel electrophoresis (PFGE) and randomly amplified polymorphic DNA (RAPD) analysis, were also used. PFGE typing of clinical isolates was unsuccessful because the DNA was degraded, and RAPD analysis was poorly discriminatory. In contrast, the type strains were clearly distinguished with both PFGE and RAPD analysis. All of the 16S rDNA sequences were identical. Comparison of the 16S rDNA sequences to the GenBank sequences showed that they were consistent with CDC group IV c-2 belonging to the genus Ralstonia. The closest matches were obtained with Ralstonia eutropha. However, four differences in 32 biochemical tests separated R. eutropha from CDC group IV c-2, which suggests that CDC group IV c-2 is a new species of the genus Ralstonia. PMID:10325323

  10. Serotype IV Sequence Type 468 Group B Streptococcus Neonatal Invasive Disease, Minnesota, USA

    PubMed Central

    Teatero, Sarah; Ferrieri, Patricia

    2016-01-01

    To further understand the emergence of serotype IV group B Streptococcus (GBS) invasive disease, we used whole-genome sequencing to characterize 3 sequence type 468 strains isolated from neonates in Minnesota, USA. We found that strains of tetracycline-resistant sequence type 468 GBS have acquired virulence genes from a putative clonal complex 17 GBS donor by recombination. PMID:27767922

  11. Efficient uptake of dimethyl sulfoxide by the desoxomolybdenum(IV) dithiolate complex containing bulky hydrophobic groups.

    PubMed

    Hasenaka, Yuki; Okamura, Taka-aki; Onitsuka, Kiyotaka

    2015-04-07

    A desoxomolybdenum(IV) complex containing bulky hydrophobic groups and NH···S hydrogen bonds, (Et4N)[Mo(IV)(OSi(t)BuPh2)(1,2-S2-3,6-{(4-(t)BuC6H4)3CCONH}2C6H2)2], was synthesized. This complex promotes the oxygen-atom-transfer (OAT) reaction of DMSO by efficient uptake of the substrate into the active center. The clean OAT reaction of Me3NO is also achieved.

  12. Autonomic responses to exercise: group III/IV muscle afferents and fatigue.

    PubMed

    Amann, Markus; Sidhu, Simranjit K; Weavil, Joshua C; Mangum, Tyler S; Venturelli, Massimo

    2015-03-01

    Group III and IV muscle afferents originating in exercising limb muscle play a significant role in the development of fatigue during exercise in humans. Feedback from these sensory neurons to the central nervous system (CNS) reflexively increases ventilation and central (cardiac output) and peripheral (limb blood flow) hemodynamic responses during exercise and thereby assures adequate muscle blood flow and O2 delivery. This response depicts a key factor in minimizing the rate of development of peripheral fatigue and in optimizing aerobic exercise capacity. On the other hand, the central projection of group III/IV muscle afferents impairs performance and limits the exercising human via its diminishing effect on the output from spinal motoneurons which decreases voluntary muscle activation (i.e. facilitates central fatigue). Accumulating evidence from recent animal studies suggests the existence of two subtypes of group III/IV muscle afferents. While one subtype only responds to physiological and innocuous levels of endogenous intramuscular metabolites (lactate, ATP, protons) associated with 'normal', predominantly aerobic exercise, the other subtype only responds to higher and concurrently noxious levels of metabolites present in muscle during ischemic contractions or following, for example, hypertonic saline infusions. This review discusses the mechanisms through which group III/IV muscle afferent feedback mediates both central and peripheral fatigue in exercising humans. We also briefly summarize the accumulating evidence from recent animal and human studies documenting the existence of two subtypes of group III/IV muscle afferents and the relevance of this discovery to the interpretation of previous work and the design of future studies.

  13. AUTONOMIC RESPONSES TO EXERCISE: GROUP III/IV MUSCLE AFFERENTS AND FATIGUE

    PubMed Central

    Amann, Markus; Sidhu, Simranjit K; Weavil, Joshua; Mangum, Tyler; Venturelli, Massimo

    2014-01-01

    Group III and IV muscle afferents originating in exercising limb muscle play a significant role in the development of fatigue during exercise in humans. Feedback from these sensory neurons to the central nervous system (CNS) reflexively increases ventilation and central (cardiac output) and peripheral (limb blood flow) hemodynamic responses during exercise and thereby assures adequate muscle blood flow and O2 delivery. This response depicts a key factor in minimizing the rate of development of peripheral fatigue and in optimizing aerobic exercise capacity. On the other hand, the central projection of group III/IV muscle afferents impairs performance and limits the exercising human via its diminishing effect on the output from spinal motoneurons which decreases voluntary muscle activation (i.e. facilitates central fatigue). Accumulating evidence from recent animal studies suggests the existence of two subtypes of group III/IV muscle afferents. While one subtype only responds to physiological and innocuous levels of endogenous intramuscular metabolites (lactate, ATP, protons) associated with ‘normal’, predominantly aerobic exercise, the other subtype only responds to higher and concurrently noxious levels of metabolites present in muscle during ischaemic contractions or following, for example, hypertonic saline infusions. This review discusses the mechanisms through which group III/IV muscle afferent feedback mediates both central and peripheral fatigue in exercising humans. We also briefly summarize accumulating evidence from recent animal and human studies documenting the existence of two subtypes of group III/IV muscle afferents and the relevance of this discovery for the interpretation of previous work and the design of future studies. PMID:25458423

  14. Surface Chemistry Exchange of Alloyed Germanium Nanocrystals: A Pathway Toward Conductive Group IV Nanocrystal Films.

    PubMed

    Ruddy, Daniel A; Erslev, Peter T; Habas, Susan E; Seabold, Jason A; Neale, Nathan R

    2013-02-07

    We present an expansion of the mixed-valence iodide reduction method for the synthesis of Ge nanocrystals (NCs) to incorporate low levels (∼1 mol %) of groups III, IV, and V elements to yield main-group element-alloyed Ge NCs (Ge1-xEx NCs). Nearly every main-group element (E) that surrounds Ge on the periodic table (Al, P, Ga, As, In, Sn, and Sb) may be incorporated into Ge1-xEx NCs with remarkably high E incorporation into the product (>45% of E added to the reaction). Importantly, surface chemistry modification via ligand exchange allowed conductive films of Ge1-xEx NCs to be prepared, which exhibit conductivities over large distances (25 μm) relevant to optoelectronic device development of group IV NC thin films.

  15. FACES IV and the Circumplex Model: Validation Study

    ERIC Educational Resources Information Center

    Olson, David

    2011-01-01

    Family Adaptability and Cohesion Evaluation Scale (FACES) IV was developed to tap the full continuum of the cohesion and flexibility dimensions from the Circumplex Model of Marital and Family Systems. Six scales were developed, with two balanced scales and four unbalanced scales designed to tap low and high cohesion (disengaged and enmeshed) and…

  16. FACES IV and the Circumplex Model: Validation Study

    ERIC Educational Resources Information Center

    Olson, David

    2011-01-01

    Family Adaptability and Cohesion Evaluation Scale (FACES) IV was developed to tap the full continuum of the cohesion and flexibility dimensions from the Circumplex Model of Marital and Family Systems. Six scales were developed, with two balanced scales and four unbalanced scales designed to tap low and high cohesion (disengaged and enmeshed) and…

  17. The Ultraviolet Photoelectron Spectroscopy of Group IV 2-15 Atom Cluster Anions

    NASA Astrophysics Data System (ADS)

    Craycraft, Mary Jo.

    The ability to map valence electronic structure is the result of a recent advance in photoelectron spectroscopy; its union with cluster molecular beam technology. The task of interpreting the spectra is hampered by a serious lack of understanding of cluster electronic structure in general. Recently progress has been made in finding models for single s valence electron systems. Alkali and noble metal clusters can be treated as free electron systems and simple interatomic potentials can be used with rare gas clusters. Neither a smeared jellium background nor a simple interatomic potential is adequate to describe covalent bonding, however. The isoelectronic Group IV members have a valence configuration of ns^2 np^2. All readily form clusters, and the elements differ in both their atomic and bulk properties; thus the series provides an ideal system for studying electronic structure. The mass selected cluster ion beam is crossed with a beam (6.42 or 7.9eV) and the resulting photodetached electrons collected with the aid of judiciously arranged magnetic fields. The spectra are found to be unique for each size cluster. Some spectra show a significant gap between the two lowest binding energy features, indicating that the neutral cluster is a closed shell species. The clusters with such gaps are minima in a plot of EA as a function of cluster size. The UPS also vary with the cluster composition. Carbon is unique; an even -odd alternation in electron affinities switches from odd minima for clusters containing less than ten atoms to odd maxima for larger clusters. This corresponds with an alternation in singlet and triplet ground states and a switch from chain to ring structures previously predicted by theory (K. S. Pitzer, E. Clementi, J. Amer. Chem. Soc. 81 4477 (1958) and R. Hoffmann, Tetrahedron 22 521 (1965)). The spectra of the remaining group IV members are remarkably similar to each other for clusters of up to ten atoms, as is the trend in the electron affinities as

  18. Full first-principles theory of spin relaxation in group-IV materials.

    PubMed

    Restrepo, O D; Windl, W

    2012-10-19

    We present a generally applicable parameter-free first-principles method to determine electronic spin relaxation times and apply it to the technologically important group-IV materials silicon, diamond, and graphite. We concentrate on the Elliott-Yafet mechanism, where spin relaxation is induced by momentum scattering off phonons and impurities. In silicon, we find a ~T(-3) temperature dependence of the phonon-limited spin relaxation time T(1) and a value of 4.3 ns at room temperature, in agreement with experiments. For the phonon-dominated regime in diamond and graphite, we predict a stronger ~T(-5) and ~T(-4.5) dependence that limits T(1) (300 K) to 180 and 5.8 ns, respectively. A key aspect of this Letter is that the parameter-free nature of our approach provides a method to study the effect of any type of impurity or defect on spin transport. Furthermore we find that the spin-mix amplitude in silicon does not follow the E(g)(-2) band gap dependence usually assigned to III-V semiconductors but follows a much weaker and opposite E(g)(0.67) dependence. This dependence should be taken into account when constructing silicon spin transport models.

  19. Full First-Principles Theory of Spin Relaxation in Group-IV Materials

    NASA Astrophysics Data System (ADS)

    Restrepo, O. D.; Windl, W.

    2012-10-01

    We present a generally applicable parameter-free first-principles method to determine electronic spin relaxation times and apply it to the technologically important group-IV materials silicon, diamond, and graphite. We concentrate on the Elliott-Yafet mechanism, where spin relaxation is induced by momentum scattering off phonons and impurities. In silicon, we find a ˜T-3 temperature dependence of the phonon-limited spin relaxation time T1 and a value of 4.3 ns at room temperature, in agreement with experiments. For the phonon-dominated regime in diamond and graphite, we predict a stronger ˜T-5 and ˜T-4.5 dependence that limits T1 (300 K) to 180 and 5.8 ns, respectively. A key aspect of this Letter is that the parameter-free nature of our approach provides a method to study the effect of any type of impurity or defect on spin transport. Furthermore we find that the spin-mix amplitude in silicon does not follow the Eg-2 band gap dependence usually assigned to III-V semiconductors but follows a much weaker and opposite Eg0.67 dependence. This dependence should be taken into account when constructing silicon spin transport models.

  20. Modeling the Arm II core in MicroCap IV

    SciTech Connect

    Dalton, A.C.

    1996-11-01

    This paper reports on how an electrical model for the core of the Arm II machine was created and how to use this model. We wanted to get a model for the electrical characteristics of the ARM II core, in order to simulate this machine and to assist in the design of a future machine. We wanted this model to be able to simulate saturation, variable loss, and reset. Using the Hodgdon model and the circuit analysis program MicroCap IV, this was accomplished. This paper is written in such a way as to allow someone not familiar with the project to understand it.

  1. 77 FR 1267 - National Emission Standards for Hazardous Air Pollutant Emissions: Group IV Polymers and Resins...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-09

    ...The EPA is proposing amendments to three national emission standards for hazardous air pollutants (NESHAP): National Emission Standards for Hazardous Air Pollutant Emissions: Group IV Polymers and Resins; NESHAP for Pesticide Active Ingredient Production; and NESHAP for Polyether Polyols Production. For all three of these NESHAP rules, the EPA is proposing decisions concerning the following: residual risk reviews; technology reviews; emissions during periods of startup, shutdown and malfunction; standards for previously unregulated hazardous air pollutant emissions; and electronic reporting of performance test results.

  2. Structure activity relationship modelling of milk protein-derived peptides with dipeptidyl peptidase IV (DPP-IV) inhibitory activity.

    PubMed

    Nongonierma, Alice B; FitzGerald, Richard J

    2016-05-01

    Quantitative structure activity type models were developed in an attempt to predict the key features of peptide sequences having dipeptidyl peptidase IV (DPP-IV) inhibitory activity. The models were then employed to help predict the potential of peptides, which are currently reported in the literature to be present in the intestinal tract of humans following milk/dairy product ingestion, to act as inhibitors of DPP-IV. Two models (z- and v-scale) for short (2-5 amino acid residues) bovine milk peptides, behaving as competitive inhibitors of DPP-IV, were developed. The z- and the v-scale models (p<0.05, R(2) of 0.829 and 0.815, respectively) were then applied to 56 milk protein-derived peptides previously reported in the literature to be found in the intestinal tract of humans which possessed a structural feature of DPP-IV inhibitory peptides (P at the N2 position). Ten of these peptides were synthetized and tested for their in vitro DPP-IV inhibitory properties. There was no agreement between the predicted and experimentally determined DPP-IV half maximal inhibitory concentrations (IC50) for the competitive peptide inhibitors. However, the ranking for DPP-IV inhibitory potency of the competitive peptide inhibitors was conserved. Furthermore, potent in vitro DPP-IV inhibitory activity was observed with two peptides, LPVPQ (IC50=43.8±8.8μM) and IPM (IC50=69.5±8.7μM). Peptides present within the gastrointestinal tract of human may have promise for the development of natural DPP-IV inhibitors for the management of serum glucose.

  3. Anticancer Platinum(IV) Prodrugs Containing Monoaminophosphonate Ester as a Targeting Group Inhibit Matrix Metalloproteinases and Reverse Multidrug Resistance.

    PubMed

    Huang, Xiaochao; Huang, Rizhen; Gou, Shaohua; Wang, Zhimei; Wang, Hengshan

    2017-04-19

    A novel class of platinum(IV) complexes comprising a monoaminophosphonate ester moiety, which can not only act as a bone-targeting group but also inhibit matrix metalloproteinases (MMPs), were designed and synthesized. Biological assay of these compounds showed that they had potent antitumor activities against the tested cancer cell lines compared with cisplatin and oxaliplatin and indicated low cytotoxicity to human normal liver cells. Particularly, the platinum(IV) complexes were very sensitive to cisplatin resistant cancer cell lines. The corresponding structure-activity relationships were studied and discussed. Related mechanism study revealed that the typical complex 11 caused cell cycle arrest at S phase and induced apoptosis in Bel-7404 cells via a mitochondrial-dependent apoptosis pathway. Moreover, complex 11 had potent ability to inhibit the tumor growth in the NCI-H460 xenograft model comparable to cisplatin.

  4. Computational prediction of two-dimensional group-IV mono-chalcogenides

    SciTech Connect

    Singh, Arunima K.; Hennig, Richard G.

    2014-07-28

    Density functional calculations determine the structure, stability, and electronic properties of two-dimensional materials in the family of group-IV monochalcogenides, MX (M = Ge, Sn, Pb; X = O, S, Se, Te). Calculations with a van der Waals functional show that the two-dimensional IV-VI compounds are most stable in either a highly distorted NaCl-type structure or a single-layer litharge type tetragonal structure. Their formation energies are comparable to single-layer MoS{sub 2}, indicating the ease of mechanical exfoliation from their layered bulk structures. The phonon spectra confirm their dynamical stability. Using the hybrid HSE06 functional, we find that these materials are semiconductors with bandgaps that are generally larger than for their bulk counterparts due to quantum confinement. The band edge alignments of monolayer group IV-VI materials reveal several type-I and type-II heterostructures, suited for optoelectronics and solar energy conversion.

  5. Genogroup IV and VI canine noroviruses interact with histo-blood group antigens.

    PubMed

    Caddy, Sarah; Breiman, Adrien; le Pendu, Jacques; Goodfellow, Ian

    2014-09-01

    Human noroviruses (HuNV) are a significant cause of viral gastroenteritis in humans worldwide. HuNV attaches to cell surface carbohydrate structures known as histo-blood group antigens (HBGAs) prior to internalization, and HBGA polymorphism among human populations is closely linked to susceptibility to HuNV. Noroviruses are divided into 6 genogroups, with human strains grouped into genogroups I (GI), II, and IV. Canine norovirus (CNV) is a recently discovered pathogen in dogs, with strains classified into genogroups IV and VI. Whereas it is known that GI to GIII noroviruses bind to HBGAs and GV noroviruses recognize terminal sialic acid residues, the attachment factors for GIV and GVI noroviruses have not been reported. This study sought to determine the carbohydrate binding specificity of CNV and to compare it to the binding specificities of noroviruses from other genogroups. A panel of synthetic oligosaccharides were used to assess the binding specificity of CNV virus-like particles (VLPs) and identified α1,2-fucose as a key attachment factor. CNV VLP binding to canine saliva and tissue samples using enzyme-linked immunosorbent assays (ELISAs) and immunohistochemistry confirmed that α1,2-fucose-containing H and A antigens of the HBGA family were recognized by CNV. Phenotyping studies demonstrated expression of these antigens in a population of dogs. The virus-ligand interaction was further characterized using blockade studies, cell lines expressing HBGAs, and enzymatic removal of candidate carbohydrates from tissue sections. Recognition of HBGAs by CNV provides new insights into the evolution of noroviruses and raises concerns regarding the potential for zoonotic transmission of CNV to humans. Infections with human norovirus cause acute gastroenteritis in millions of people each year worldwide. Noroviruses can also affect nonhuman species and are divided into 6 different groups based on their capsid sequences. Human noroviruses in genogroups I and II interact

  6. Genogroup IV and VI Canine Noroviruses Interact with Histo-Blood Group Antigens

    PubMed Central

    Breiman, Adrien; le Pendu, Jacques

    2014-01-01

    ABSTRACT Human noroviruses (HuNV) are a significant cause of viral gastroenteritis in humans worldwide. HuNV attaches to cell surface carbohydrate structures known as histo-blood group antigens (HBGAs) prior to internalization, and HBGA polymorphism among human populations is closely linked to susceptibility to HuNV. Noroviruses are divided into 6 genogroups, with human strains grouped into genogroups I (GI), II, and IV. Canine norovirus (CNV) is a recently discovered pathogen in dogs, with strains classified into genogroups IV and VI. Whereas it is known that GI to GIII noroviruses bind to HBGAs and GV noroviruses recognize terminal sialic acid residues, the attachment factors for GIV and GVI noroviruses have not been reported. This study sought to determine the carbohydrate binding specificity of CNV and to compare it to the binding specificities of noroviruses from other genogroups. A panel of synthetic oligosaccharides were used to assess the binding specificity of CNV virus-like particles (VLPs) and identified α1,2-fucose as a key attachment factor. CNV VLP binding to canine saliva and tissue samples using enzyme-linked immunosorbent assays (ELISAs) and immunohistochemistry confirmed that α1,2-fucose-containing H and A antigens of the HBGA family were recognized by CNV. Phenotyping studies demonstrated expression of these antigens in a population of dogs. The virus-ligand interaction was further characterized using blockade studies, cell lines expressing HBGAs, and enzymatic removal of candidate carbohydrates from tissue sections. Recognition of HBGAs by CNV provides new insights into the evolution of noroviruses and raises concerns regarding the potential for zoonotic transmission of CNV to humans. IMPORTANCE Infections with human norovirus cause acute gastroenteritis in millions of people each year worldwide. Noroviruses can also affect nonhuman species and are divided into 6 different groups based on their capsid sequences. Human noroviruses in genogroups

  7. Tetracarboxylatoplatinum(IV) complexes featuring monodentate leaving groups - A rational approach toward exploiting the platinum(IV) prodrug strategy.

    PubMed

    Höfer, Doris; Varbanov, Hristo P; Legin, Anton; Jakupec, Michael A; Roller, Alexander; Galanski, Markus; Keppler, Bernhard K

    2015-12-01

    A series of novel symmetrically and unsymmetrically coordinated platinum(IV) complexes with monodentate carboxylato ligands was synthesized. The compounds exhibit a general coordination sphere of [Pt(en)(OCOR)2(OCOR')(OCOR″)], where the carboxylato ligands are represented by acetato and succinic acid monoester ligands. Dicarboxylatoplatinum(II) complexes were synthesized and oxidized symmetrically or unsymmetrically to obtain platinum(IV) complexes, which were subsequently carboxylated with noncyclic anhydrides. The compounds were investigated in detail by elemental analysis, mass spectrometry, infrared and multinuclear ((1)H, (13)C, (15)N, (195)Pt) NMR spectroscopy as well as by X-ray diffraction in some cases. The reduction behavior was followed by NMR spectroscopy, while stability and lipophilicity were examined by analytical reversed phase HPLC measurements. Cytotoxic properties were studied in three human cancer cell lines derived from cisplatin sensitive ovarian teratocarcinoma (CH1/PA-1), cisplatin insensitive colon carcinoma (SW480) and non-small cell lung cancer (A549). Thereby, the most lipophilic (yet water soluble) platinum(IV) complexes showed promising IC50 values in the low micromolar and even nanomolar range, demonstrating the significant advantage of using equatorially coordinated monodentate carboxylato ligands. Copyright © 2015 Elsevier Inc. All rights reserved.

  8. Valley-spin Seebeck effect in heavy group-IV monolayers

    NASA Astrophysics Data System (ADS)

    Zhai, Xuechao; Wang, Shengdong; Zhang, Yan

    2017-06-01

    Akin to electron spin, the valley has become another highly valued degree of freedom in modern electronics, specifically after tremendous studies on monolayers of group-IV materials, i.e. graphene, silicene, germanene and stanene. Except for graphene, the other heavy group-IV monolayers have observable intrinsic spin-orbit interactions due to their buckled structures. Distinct from the usual electric or optical control of valley and spin, we here employ a temperature difference to drive electron motion in ferromagnetic heavy group-IV monolayers via designing a caloritronic device locally modulated by an interlayer electric (E z ) field. A unique valley-spin Seebeck (VSS) effect is discovered, with the current contributed only by one (the other) valley and one (the other) spin moving along one (the opposite) direction. This effect is suggested to be detected below the critical temperature about 18 K for silicene, 200 K for germanene and 400 K for stanene, arising from the characteristic valley-spin nondegenerate band structures tuned by the E z field, but cannot be driven in graphene without spin-orbit interaction. Above the critical temperature, the VSS effect is broken by overlarge temperature broadening. Besides the temperature, it is also found that the E z field can drive a transition between the VSS effect and the normal spin Seebeck effect. Further calculations indicate that the VSS effect is robust against many realistic perturbations. Our research represents a conceptually but substantially major step towards the study of the Seebeck effect. These findings provide a platform for encoding information simultaneously by the valley and spin quantum numbers of electrons in future thermal-logic circuits and energy-saving devices.

  9. The origin of electronic band structure anomaly in topological crystalline insulator group-IV tellurides

    NASA Astrophysics Data System (ADS)

    Ye, Zhen-Yu; Deng, Hui-Xiong; Wu, Hui-Zhen; Li, Shu-Shen; Wei, Su-Huai; Luo, Jun-Wei

    2015-11-01

    Group-IV tellurides have exhibited exotic band structures. Specifically, despite the fact that Sn sits between Ge and Pb in the same column of the periodic table, cubic SnTe is a topological crystalline insulator with band inversion, but both isovalent GeTe and PbTe are trivial semiconductors with normal band order. By performing first-principles band structure calculations, we unravel the origin of this abnormal behaviour by using symmetry analysis and the atomic orbital energy levels and atomic sizes of these elements. In group-IV tellurides, the s lone pair band of the group-IV element is allowed by symmetry to couple with the anion valence p band at the L-point, and such s-p coupling leads to the occurrence of bandgap at the L-point. We find that such s-p coupling is so strong in SnTe that it inverts the band order near the bandgap; however, it is not strong enough in both GeTe and PbTe, so they remain normal semiconductors. The reason for this is the incomplete screening of the core of the relatively tight-binding Ge 4s orbital by its 3d orbitals and the large atomic size and strong relativistic effect in Pb, respectively. Interestingly, we also find that the rhombohedral distortion removes the inversion symmetry and the reduced s-p coupling transforms the α-SnTe back to a normal semiconductor. Our study demonstrates that, in addition to spin-orbital coupling, strain and interface dipole fields, inter-orbital coupling is another effective way to engineer the topological insulators.

  10. Anticancer and DNA binding activities of platinum (IV) complexes; importance of leaving group departure rate.

    PubMed

    Pouryasin, Zahra; Yousefi, Reza; Nabavizadeh, S Masoud; Rashidi, Mehdi; Hamidizadeh, Peyman; Alavianmehr, Mohammad-Mehdi; Moosavi-Movahedi, Ali Akbar

    2014-03-01

    The two six-coordinate Pt(IV) complexes, containing bidentate nitrogen donor/methyl ligands with general formula [Pt(X)2Me2((t)bu2bpy)], where (t)bu2bpy = 4,4'-ditert-butyl-2,2'-bipyridine and X = Cl (C1) or Br (C2), serving as the leaving groups were synthesized for evaluation of their anticancer activities and DNA binding properties. To examine anticancer activities of the synthetic complexes, 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay and ethidium bromide/acridine orange (EB/AO) staining method were performed. The binding properties of these complexes to DNA and purine nucleotides were examined, using different spectroscopic techniques. These complexes demonstrated significant anticancer activities against three cancer cell lines Jurkat, K562, and MCF-7. On the basis of the results of EB/AO staining, C1 and C2 were also capable to induce apoptosis in cancer cells. These complexes comprise halide leaving groups, displaying different departure rates; accordingly, they demonstrated slightly dissimilar anticancer activity and significantly different DNA/purine nucleotide binding properties. The results of DNA interaction studies of these complexes suggest a mixed-binding mode, comprising partial intercalation and groove binding. Overall, the results presented herein indicate that the newly synthesized Pt(IV) complexes are promising class of the potential anticancer agents which can be considered as molecular templates in designing novel platinum anticancer drugs. This study also highlights the importance of leaving group in anticancer activity and DNA binding properties of Pt(IV) complexes.

  11. Near infrared group IV optoelectronics and novel pre-cursors for CVD epitaxy

    NASA Astrophysics Data System (ADS)

    Hazbun, Ramsey Michael

    Near infrared and mid infrared optoelectronic devices have become increasingly important for the telecommunications, security, and medical imaging industries. The addition of nitrogen to III-V alloys has been widely studied as a method of modifying the band gap for mid infrared (IR) applications. In xGa1-xSb1-y Ny/InAs strained-layer superlattices with type-II (staggered) energy offsets on GaSb substrates, were modeled using eight-band k˙p simulations to analyze the superlattice miniband energies. Three different zero-stress strain balance conditions are reported: fixed superlattice period thickness, fixed InAs well thickness, and fixed InxGa1-xSb 1-yNy barrier thickness. Optoelectronics have traditionally been the realm of III-V semiconductors due to their direct band gap, while integrated circuit chips have been the realm of Group IV semiconductors such as silicon because of its relative abundance and ease of use. Recently the alloying of Sn with Ge and Si has been shown to allow direct band-gap light emission. This presents the exciting prospect of integrating optoelectronics into current Group IV chip fabrication facilities. However, new approaches for low temperature growth are needed to realize these new SiGeSn alloys. Silicon-germanium epitaxy via ultra-high vacuum chemical vapor deposition has the advantage of allowing low process temperatures. Deposition processes are sensitive to substrate surface preparation and the time delay between oxide removal and epitaxial growth. A new monitoring process utilizing doped substrates and defect decoration etching is demonstrated to have controllable and unique sensitivity to interfacial contaminants. Doped substrates were prepared and subjected to various loading conditions prior to the growth of typical Si/SiGe bilayers. The defect densities were correlated to the concentration of interfacial oxygen suggesting this monitoring process may be an effective complement to monitoring via secondary ion mass spectrometry

  12. Modeling Small Group Learning

    ERIC Educational Resources Information Center

    Draskovic, I.; Holdrinet, R.; Bulte, J.; Bolhuis, S.; Van Leeuwe, J.

    2004-01-01

    This article presents findings from an empirical study on the relations between the variables comprising learning mechanisms in small collaborative groups. Variables comprising the central learning mechanisms component were "task related interactions," "knowledge elaborations," and "subjective estimation of knowledge acquisition." Student related…

  13. Catalytic Ester–Amide Exchange Using Group (IV) Metal Alkoxide–Activator Complexes

    PubMed Central

    Han, Chong; Lee, Jonathan P.; Lobkovsky, Emil; Porco, John A.

    2005-01-01

    A process for preparation of amides from unactivated esters and amines has been developed using a catalytic system comprised of group (IV) metal alkoxides in conjunction with additives including 1-hydroxy-7-azabenzotriazole (HOAt). In general, ester–amide exchange proceeds using a variety of structurally diverse esters and amines without azeotropic reflux to remove the alcohol byproduct. Initial mechanistic studies on the Zr(Ot-Bu)4–HOAt system revealed that the active catalyst is a novel, dimeric zirconium complex as determined by X-ray crystallography. PMID:16011366

  14. Group-IV nanosheets with vacancies: a tight-binding extended Hückel study

    NASA Astrophysics Data System (ADS)

    de Souza Martins, Adriano; Veríssimo-Alves, Marcos

    2014-09-01

    In this work, we present a theoretical study of the electronic properties of group-IV element nanosheets, namely graphene, silicene, germanene and the corresponding hydrogenated structures for the two latter, silicane and germanane. We compare the results of two different calculation methods, Density Functional Theory (DFT) and Extended Hückel Theory (EHT), for both pristine sheets and sheets of silicene and germanene with a single-atom vacancy. We show that EHT offers a remarkably reliable description of the electronic structure of these materials for all cases, thus offering an affordable way for studying large systems for which DFT calculations would be expensive and lengthy.

  15. Generic process for preparing a crystalline oxide upon a group IV semiconductor substrate

    DOEpatents

    McKee, Rodney A.; Walker, Frederick J.; Chisholm, Matthew F.

    2000-01-01

    A process for growing a crystalline oxide epitaxially upon the surface of a Group IV semiconductor, as well as a structure constructed by the process, is described. The semiconductor can be germanium or silicon, and the crystalline oxide can generally be represented by the formula (AO).sub.n (A'BO.sub.3).sub.m in which "n" and "m" are non-negative integer repeats of planes of the alkaline earth oxides or the alkaline earth-containing perovskite oxides. With atomic level control of interfacial thermodynamics in a multicomponent semiconductor/oxide system, a highly perfect interface between a semiconductor and a crystalline oxide can be obtained.

  16. 33 CFR 155.1050 - Response plan development and evaluation criteria for vessels carrying groups I through IV...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... evaluation criteria for vessels carrying groups I through IV petroleum oil as a primary cargo. 155.1050... through IV petroleum oil as a primary cargo. (a) The following criteria must be used to evaluate the... environment; and (3) Be appropriate for the petroleum oil carried. (d) The owner or operator of a vessel...

  17. A randomized parallel-group dietary study for stages II-IV ovarian cancer survivors.

    PubMed

    Paxton, Raheem J; Garcia-Prieto, Celia; Berglund, Maria; Hernandez, Mike; Hajek, Richard A; Handy, Beverly; Brown, Jubilee; Jones, Lovell A

    2012-03-01

    Few studies have examined the dietary habits of ovarian cancer survivors. Therefore, we conducted a study to assess the feasibility and impact of two dietary interventions for ovarian cancer survivors. In this randomized, parallel-group study, 51 women (mean age, 53 years) diagnosed with stages II-IV ovarian cancer were recruited and randomly assigned to a low fat, high fiber (LFHF) diet or a modified National Cancer Institute diet supplemented with a soy-based beverage and encapsulated fruit and vegetable juice concentrates (FVJCs). Changes in clinical measures, serum carotenoid and tocopherol levels, dietary intake, anthropometry, and health-related quality of life (HRQOL) were assessed with paired t-tests. The recruitment rate was 25%, and the retention rate was 75% at 6 months. At baseline, 28% and 45% of women met guidelines for intake of fiber and of fruits and vegetables, respectively. After 6 months, total serum carotenoid levels and α- and β-carotene concentrations were significantly increased in both groups (P<0.01); however, β-carotene concentrations were increased more in the FVJC group. Serum β-cryptoxanthin levels, fiber intake (+5.2g/day), and daily servings of juice (+0.9 servings/day) and vegetables (+1.3 servings/day) were all significantly increased in the LFHF group (all P<0.05). Serum levels of albumin, lutein and zeaxanthin, retinol, and retinyl palmitate were significantly increased in the FVJC group (all P<0.05). No changes in cancer antigen-125, anthropometry, or HRQOL were observed. Overall, this study supports the feasibility of designing dietary interventions for stages II-IV ovarian cancer survivors and provides preliminary evidence that a low fat high fiber diet and a diet supplemented with encapsulated FVJC may increase phytonutrients in ovarian cancer survivors. Copyright © 2011 Elsevier Inc. All rights reserved.

  18. Stability and electronic structure of two-dimensional allotropes of group-IV materials

    NASA Astrophysics Data System (ADS)

    Matusalem, Filipe; Marques, Marcelo; Teles, Lara K.; Bechstedt, Friedhelm

    2015-07-01

    We study six different two-dimensional (2D) allotropes of carbon, silicon, germanium, and tin by means of the ab initio density functional theory for the ground state and approximate methods to calculate their electronic structures, including quasiparticle effects. Four of the investigated allotropes are based on dumbbell geometries, one on a kagome lattice, and one on the graphenelike hexagonal structure for comparison. Concerning carbon, our calculations of the cohesive energies clearly show that the hexagonal structure (graphene) is most stable. However, in the case of Si and Ge, the dumbbell structures, particularly the large honeycomb dumbbell (LHD) geometries, are energetically favored compared to the s p2/s p3 -bonded hexagonal lattice (i.e., silicene and germanene). The main reason for this is the opening of a band gap in the honeycomb dumbbell arrangements. The LHD sheet crystals represent indirect semiconductors with a K →Γ gap of about 0.5 eV. In the Sn case we predict the MoS2-like symmetry to be more stable, in contrast to the stanene and LHD geometries predicted in literature. Our results for freestanding group-IV layers shine new light on recent experimental studies of group-IV overlayers on various substrates.

  19. Novel growth techniques of group-IV based semiconductors on insulator for next-generation electronics

    NASA Astrophysics Data System (ADS)

    Miyao, Masanobu; Sadoh, Taizoh

    2017-05-01

    Recent progress in the crystal growth of group-IV-based semiconductor-on-insulators is reviewed from physical and technological viewpoints. Liquid-phase growth based on SiGe-mixing-triggered rapid-melting growth enables formation of hybrid (100) (110) (111)-orientation Ge-on-insulator (GOI) structures, which show defect-free GOI with very high carrier mobility (˜1040 cm2 V-1 s-1). Additionally, SiGe mixed-crystals with laterally uniform composition were obtained by eliminating segregation phenomena during the melt-back process. Low-temperature solid-phase growth has been explored by combining this process with ion-beam irradiation, additional doping of group-IV elements, metal induced lateral crystallization with/without electric field, and metal-induced layer exchange crystallization. These efforts have enabled crystal growth on insulators below 400 °C, achieving high carrier mobility (160-320 cm2 V-1 s-1). Moreover, orientation-controlled SiGe and Ge films on insulators have been obtained below the softening temperatures of conventional plastic films (˜300 °C). Detailed characterization provides an understanding of physical phenomena behind these crystal growth techniques. Applying these methods when fabricating next-generation electronics is also discussed.

  20. Structural phase stability in group IV metals under static high pressure

    SciTech Connect

    Velisavljevic, Nenad; Chesnut, Garry N; Dattelbaum, Dana M; Vohra, Yogesh K; Stemshorn, Andrew

    2009-01-01

    In group IV metals (Ti, Zr, and Hf) room temperature compression leads to a martensitic transformation from a ductile {alpha} to a brittle {omega} phase. {alpha} {yields} {omega} phase boundary decreases to lower pressure at high temperature and can limit the use of group IV metals in industrial applications. There is a large discrepancy in the transition pressure reported in literature, with some of the variation attributed to experimental conditions (i.e. hydrostatic vs. non-hydrostatic). Shear deformation in non-hydrostatic experiments drives {alpha} {yields} {omega} transition and decreases transition pressure. Impurities can also aid or suppress {alpha} {yields} {omega} transition. By performing x-ray diffraction experiments on samples in a diamond anvil cell we show that interstitial impurities, such as C, N, and O can obstruct {alpha} {yields} {omega} transition and stabilize {alpha} phase to higher pressure. We also show that reduction in grain size can also influence {alpha} {yields} {omega} phase boundary and help stabilize {alpha} phase to higher pressure under non-hydrostatic conditions.

  1. Group IV Light Sources to Enable the Convergence of Photonics and Electronics

    NASA Astrophysics Data System (ADS)

    Saito, Shinichi; Gardes, Frederic; Al-Attili, Abdelrahman; Tani, Kazuki; Oda, Katsuya; Suwa, Yuji; Ido, Tatemi; Ishikawa, Yasuhiko; Kako, Satoshi; Iwamoto, Satoshi; Arakawa, Yasuhiko

    2014-09-01

    Group IV lasers are expected to revolutionize chip-to-chip optical communications in terms of cost, scalability, yield, and compatibility to the existing infrastructure of silicon industries for mass production. Here, we review the current state-of-the-art developments of silicon and germanium light sources towards monolithic integration. Quantum confinement of electrons and holes in nano-structures has been the primary route for light emission from silicon, and we can use advanced silicon technologies using top-down patterning processes to fabricate these nano-structures, including fin-type vertical multiple quantum wells. Moreover, the electromagnetic environment can also be manipulated in a photonic crystal nano-cavity to enhance the efficiency of light extraction and emission by the Purcell effect. Germanium is also widely investigated as an active material in Group IV photonics, and novel epitaxial growth technologies are being developed to make a high quality germanium layer on a silicon substrate. To develop a practical germanium laser, various technologies are employed for tensile-stress engineering and high electron doping to compensate the indirect valleys in the conduction band. These challenges are aiming to contribute towards the convergence of electronics and photonics on a silicon chip.

  2. Properties of Group-IV, III-V and II-VI Semiconductors

    NASA Astrophysics Data System (ADS)

    Adachi, Sadao

    2005-03-01

    Almost all the semiconductors of practical interest are the group-IV, III-V and II-VI semiconductors and the range of technical applications of such semiconductors is extremely wide. The purpose of this book is twofold: * to discuss the key properties of the group-IV, III-V and II-VI semiconductors * to systemize these properties from a solid-state physics aspect The majority of the text is devoted to the description of the lattice structural, thermal, elastic, lattice dynamic, electronic energy-band structural, optical and carrier transport properties of these semiconductors. Some corrective effects and related properties, such as piezoelectric, elastooptic and electrooptic properties, are also discussed. The book contains convenient tables summarizing the various material parameters and the definitions of important semiconductor properties. In addition, graphs are included in order to make the information more quantitative and intuitive. The book is intended not only for semiconductor device engineers, but also physicists and physical chemists, and particularly students specializing in the fields of semiconductor synthesis, crystal growth, semiconductor device physics and technology.

  3. LLNL Chemical Kinetics Modeling Group

    SciTech Connect

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  4. Enhanced piezoelectricity and modified dielectric screening of two-dimensional group-IV monochalcogenides

    NASA Astrophysics Data System (ADS)

    Gomes, Lídia C.; Carvalho, A.; Castro Neto, A. H.

    2015-12-01

    We use first-principles calculations to investigate the lattice properties of group-IV monochalcogenides. These include static dielectric permittivity, elastic and piezoelectric tensors. For the monolayer, it is found that the static permittivity, besides acquiring a dependence on the interlayer distance, is comparatively higher than in the 3D system. In contrast, it is found that elastic properties are little changed by the lower dimensionality. Poisson ratios relating in-plane deformations are close to zero, and the existence of a negative Poisson ratio is also predicted for the GeS compound. Finally, the monolayer shows piezoelectricity, with piezoelectric constants higher than those recently predicted to occur in other 2D systems, such as hexagonal BN and transition-metal dichalcogenide monolayers.

  5. Booming Development of Group IV-VI Semiconductors: Fresh Blood of 2D Family.

    PubMed

    Zhou, Xing; Zhang, Qi; Gan, Lin; Li, Huiqiao; Xiong, Jie; Zhai, Tianyou

    2016-12-01

    As an important component of 2D layered materials (2DLMs), the 2D group IV metal chalcogenides (GIVMCs) have drawn much attention recently due to their earth-abundant, low-cost, and environmentally friendly characteristics, thus catering well to the sustainable electronics and optoelectronics applications. In this instructive review, the booming research advancements of 2D GIVMCs in the last few years have been presented. First, the unique crystal and electronic structures are introduced, suggesting novel physical properties. Then the various methods adopted for synthesis of 2D GIVMCs are summarized such as mechanical exfoliation, solvothermal method, and vapor deposition. Furthermore, the review focuses on the applications in field effect transistors and photodetectors based on 2D GIVMCs, and extends to flexible devices. Additionally, the 2D GIVMCs based ternary alloys and heterostructures have also been presented, as well as the applications in electronics and optoelectronics. Finally, the conclusion and outlook have also been presented in the end of the review.

  6. Growth and applications of GeSn-related group-IV semiconductor materials

    PubMed Central

    Zaima, Shigeaki; Nakatsuka, Osamu; Taoka, Noriyuki; Kurosawa, Masashi; Takeuchi, Wakana; Sakashita, Mitsuo

    2015-01-01

    We review the technology of Ge1−xSnx-related group-IV semiconductor materials for developing Si-based nanoelectronics. Ge1−xSnx-related materials provide novel engineering of the crystal growth, strain structure, and energy band alignment for realising various applications not only in electronics, but also in optoelectronics. We introduce our recent achievements in the crystal growth of Ge1−xSnx-related material thin films and the studies of the electronic properties of thin films, metals/Ge1−xSnx, and insulators/Ge1−xSnx interfaces. We also review recent studies related to the crystal growth, energy band engineering, and device applications of Ge1−xSnx-related materials, as well as the reported performances of electronic devices using Ge1−xSnx related materials. PMID:27877818

  7. Dimers of heavy p-elements of groups IV-VI: Electronic, vibrational, and magnetic properties

    NASA Astrophysics Data System (ADS)

    Borisova, S. D.; Rusina, G. G.; Eremeev, S. V.; Chulkov, E. V.

    2016-04-01

    Equilibrium lengths and binding energies, vibrational frequencies, width of the HOMO-LUMO gap, and the magnetic anisotropy energies for one- and two-component dimers of heavy p elements of Groups IV (Sn, Pb), V (Sb, Bi), and VI (Se, Te) with a pronounced relativistic effect have been calculated with the use of the formalism of the density functional theory. It has been shown that it is necessary to take into account the spin-orbit coupling, which significantly affects the energy parameters of clusters. The analysis of the data obtained has revealed that the Pb-Te, Pb-Se, Sn-Te, and Sn-Se dimers have the widest gap at the Fermi level and the lowest reactivity. The magnetic anisotropy energy has been calculated for all single- and doublecomponent dimers and the direction of the easy magnetization axis has been determined.

  8. Controlling Thermodynamic Properties of Ferromagnetic Group-IV Graphene-Like Nanosheets by Dilute Charged Impurity

    NASA Astrophysics Data System (ADS)

    Yarmohammadi, Mohsen; Mirabbaszadeh, Kavoos

    2017-05-01

    Using the Kane-Mele Hamiltonian, Dirac theory and self-consistent Born approximation, we investigate the effect of dilute charged impurity on the electronic heat capacity and magnetic susceptibility of two-dimensional ferromagnetic honeycomb structure of group-IV elements including silicene, germanene and stanene within the Green’s function approach. We also find these quantities in the presence of applied external electric field. Our results show that the silicene (stanene) has the maximum (minimum) heat capacity and magnetic susceptibility at uniform electric fields. From the behavior of theses quantities, the band gap has been changed with impurity concentration, impurity scattering strength and electric field. The analysis on the impurity-dependent magnetic susceptibility curves shows a phase transition from ferromagnetic to paramagnetic and antiferromagnetic phases. Interestingly, electronic heat capacity increases (decreases) with impurity concentration in silicene (germanene and stanene) structure.

  9. Evaluation of Soybeans in Maturity Groups I-IV for Resistance to Heterodera glycines

    PubMed Central

    Noel, Gregory R.; Sikora, E. J.

    1990-01-01

    Forty-seven private and public soybean (Glycine max) cultivars in maturity groups I, II, III, and IV were evaluated in the field for resistance to Heterodera glycines race 3 and race 4 at two sites, Kilbourne and Urbana, Illinois. The soil at Kilbonrne was an irrigated sand infested with race 3. The soil at Urbana was a nonirrigated silty clay loam infested with race 4. Yield of nematode-susceptible controls was reduced at both locations, and yield differences were observed among the other cultivars. Soybeans grown in sand yielded less than the soybean grown in silty clay loam. Although populations of H. glycines recovered at planting were lower at Kilbourne than at Urbana, a greater percentage of loss in yield was associated with the sand at Kilbourne. Several soybean cultivars had a high level of resistance to both populations of H. glycines. PMID:19287799

  10. The development of two dimensional group IV chalcogenides, blocks for van der Waals heterostructures

    NASA Astrophysics Data System (ADS)

    Sa, Baisheng; Sun, Zhimei; Wu, Bo

    2015-12-01

    In this work, we introduce a series of two dimensional (2D) group IV chalcogenides (AX)2 with the building block X-A-A-X (A = Si, Ge, Sn, and Pb, and X = Se and Te) on the basis of ab initio calculations. The analysis of energy evaluation, lattice vibration as well as the chemical bonding demonstrate the good stability of these 2D materials. Furthermore, the pictures for the chemical bonding and electronic features of the 2D (AX)2 are drawn. Their narrow gapped semiconducting nature is unraveled. Especially, strong interactions between the electrons and phonons as well as the topological insulating nature in (SiTe)2 are observed. The present results indicate that such remarkable artificial 2D (AX)2 are building blocks for van der Waals heterostructure engineering, which shows potential applications in nanoscaled electronics and optoelectronics.

  11. Genetic algorithm prediction of two-dimensional group-IV dioxides for dielectrics

    NASA Astrophysics Data System (ADS)

    Singh, Arunima K.; Revard, Benjamin C.; Ramanathan, Rohit; Ashton, Michael; Tavazza, Francesca; Hennig, Richard G.

    2017-04-01

    Two-dimensional (2D) materials present a new class of materials whose structures and properties can differ from their bulk counterparts. We perform a genetic algorithm structure search using density-functional theory to identify low-energy structures of 2D group-IV dioxides A O2 (A =Si , Ge, Sn, Pb). We find that 2D SiO2 is most stable in the experimentally determined bi-tetrahedral structure, while 2D SnO2 and PbO2 are most stable in the 1 T structure. For 2D GeO2, the genetic algorithm finds a new low-energy 2D structure with monoclinic symmetry. Each system exhibits 2D structures with formation energies ranging from 26 to 151 meV/atom, below those of certain already synthesized 2D materials. The phonon spectra confirm their dynamic stability. Using the HSE06 hybrid functional, we determine that the 2D dioxides are insulators or semiconductors, with a direct band gap of 7.2 eV at Γ for 2D SiO2, and indirect band gaps of 4.8-2.7 eV for the other dioxides. To guide future applications of these 2D materials in nanoelectronic devices, we determine their band-edge alignment with graphene, phosphorene, and single-layer BN and MoS2. An assessment of the dielectric properties and electrochemical stability of the 2D group-IV dioxides shows that 2D GeO2 and SnO2 are particularly promising candidates for gate oxides and 2D SnO2 also as a protective layer in heterostructure nanoelectronic devices.

  12. Thermoelectric properties of orthorhombic group IV-VI monolayers from the first-principles calculations

    NASA Astrophysics Data System (ADS)

    Guo, San-Dong; Wang, Yue-Hua

    2017-01-01

    Two-dimensional (2D) materials may have potential applications in thermoelectric devices. In this work, the thermoelectric properties of orthorhombic group IV-VI monolayers AB (A = Ge and Sn; B = S and Se) are systematically investigated by the first-principles calculations and semiclassical Boltzmann transport theory. The spin-orbit coupling (SOC) is considered for their electron part, which produces observable effects on the power factor, especially for n-type doping. According to the calculated ZT, the four monolayers exhibit diverse anisotropic thermoelectric properties although they have a similar hinge-like crystal structure. The GeS along zigzag and armchair directions shows the strongest anisotropy, while SnS and SnSe show mostly isotropic efficiency of thermoelectric conversion. This can be explained by the strength of anisotropy of their respective power factor and electronic and lattice thermal conductivities. The calculated results show that the ZT between n- and p-type doping has little difference for GeS, SnS, and SnSe. It is found that GeSe, SnS, and SnSe show better thermoelectric performance compared to GeS in n-type doping and that SnS and SnSe exhibit higher efficiency of thermoelectric conversion in p-type doping. Compared to other many 2D materials, orthorhombic group IV-VI monolayers AB (A = Ge and Sn; B = S and Se) may possess better thermoelectric performance due to lower lattice thermal conductivities. Our work would be beneficial to stimulate further theoretical and experimental works.

  13. The conflicting role of buckled structure in phonon transport of 2D group-IV and group-V materials.

    PubMed

    Peng, Bo; Zhang, Dequan; Zhang, Hao; Shao, Hezhu; Ni, Gang; Zhu, Yongyuan; Zhu, Heyuan

    2017-03-20

    Controlling heat transport through material design is one important step toward thermal management in 2D materials. To control heat transport, a comprehensive understanding of how structure influences heat transport is required. It has been argued that a buckled structure is able to suppress heat transport by increasing the flexural phonon scattering. Using a first principles approach, we calculate the lattice thermal conductivity of 2D mono-elemental materials with a buckled structure. Somewhat counterintuitively, we find that although 2D group-V materials have a larger mass and higher buckling height than their group-IV counterparts, the calculated κ of blue phosphorene (106.6 W mK(-1)) is nearly four times higher than that of silicene (28.3 W mK(-1)), while arsenene (37.8 W mK(-1)) is more than fifteen times higher than germanene (2.4 W mK(-1)). We report for the first time that a buckled structure has three conflicting effects: (i) increasing the Debye temperature by increasing the overlap of the pz orbitals, (ii) suppressing the acoustic-optical scattering by forming an acoustic-optical gap, and (iii) increasing the flexural phonon scattering. The former two, corresponding to the harmonic phonon part, tend to enhance κ, while the last one, corresponding to the anharmonic part, suppresses it. This relationship between the buckled structure and phonon behaviour provides insight into how to control heat transport in 2D materials.

  14. Modeling Individual Subtests of the WAIS IV with Multiple Latent Factors

    PubMed Central

    McFarland, Dennis J.

    2013-01-01

    Performance on a cognitive test can be viewed either as measuring a unitary function or as reflecting the operation of multiple factors. Individual subtests in batteries designed to measure human abilities are commonly modeled as a single latent factor. Several latent factors are then used to model groups of subtests. However these latent factors are not independent as they are related through hierarchical or oblique structures. As a result, the simple structure of subtest performance results in complex latent factors. The present study used structural equation modeling to evaluate several multidimensional models of the Wechsler Adult Intelligence Scales- fourth edition (WAIS-IV) subtests. Multidimensional models of subtest performance provided better model fit as compared to several previously proposed one dimensional models. These multidimensional models also generalized well to new samples of populations differing in age from that used to estimate the model parameters. Overall these results show that models that describe subtests as multidimensional functions of uncorrelated factors provided a better fit to the WAIS-IV correlations than models that describe subtests as one dimensional functions of correlated factors. There appears to be a trade-off in modeling subtests as one dimensional and modeling with homogeneous latent traits. More consideration should be given to models that include multiple uncorrelated latent factors as determinants of the performance on a given subtest. These results support the view that performance on any given cognitive test is potentially the result of multiple factors. Simple structure may be too simple. PMID:24058643

  15. Modeling individual subtests of the WAIS IV with multiple latent factors.

    PubMed

    McFarland, Dennis J

    2013-01-01

    Performance on a cognitive test can be viewed either as measuring a unitary function or as reflecting the operation of multiple factors. Individual subtests in batteries designed to measure human abilities are commonly modeled as a single latent factor. Several latent factors are then used to model groups of subtests. However these latent factors are not independent as they are related through hierarchical or oblique structures. As a result, the simple structure of subtest performance results in complex latent factors. The present study used structural equation modeling to evaluate several multidimensional models of the Wechsler Adult Intelligence Scales-fourth edition (WAIS-IV) subtests. Multidimensional models of subtest performance provided better model fit as compared to several previously proposed one dimensional models. These multidimensional models also generalized well to new samples of populations differing in age from that used to estimate the model parameters. Overall these results show that models that describe subtests as multidimensional functions of uncorrelated factors provided a better fit to the WAIS-IV correlations than models that describe subtests as one dimensional functions of correlated factors. There appears to be a trade-off in modeling subtests as one dimensional and modeling with homogeneous latent traits. More consideration should be given to models that include multiple uncorrelated latent factors as determinants of the performance on a given subtest. These results support the view that performance on any given cognitive test is potentially the result of multiple factors. Simple structure may be too simple.

  16. Chromospheric models for Altair (A7 IV-V)

    NASA Technical Reports Server (NTRS)

    Ferrero, R. Freire; Gouttebroze, P.; Catalano, S.; Marilli, E.; Bruhweiler, F.; Kondo, Y.; Van Der Hucht, K.; Talavera, A.

    1995-01-01

    The star, Altair (A7 IV-V), is clearly shown to have Lyman-alpha emission of chromospheric origin, while no evidence is found for the Mg II emission reported in previous investigations. We present non-Local Thermodymanic Equilibrium (non-LTE) semiempirical models incorporating partial redistribution of the chromosphere of Altair that reproduce the observed Lyman-alpha emission and the Mg II resonance absorption at 2800 A. We unambiguously establihed that chromospheres exist at spectral types as early as A7 on the main sequence, and we also demonstrate that it very unlikely that the observed emission originates in a corotating expanding wind. This result represents a new challenge for chromospheric heating theories. It may indicate that both differential rotation and convection layers, at least near the equator, exist in this fast rotating (v sin i = 220 km/s) star.

  17. Two-dimensional group-IV monochalcogenides: structural, electronic and optical properties

    NASA Astrophysics Data System (ADS)

    Gomes, Lidia; Carvalho, Alexandra; Castro Neto, A. H.

    Two-dimensional materials have attracted a massive attention of the scientific and industrial communities due to their unusual and interesting properties. The layered group-IV monochalcogenides-SnS, SnSe, GeS and GeSe- has gained attention as a promising group with potentially useful applications in diverse fields. The bulk SnS, a naturally occurring mineral, has been considered as an alternative to be used in film PV cells, due to its electronic and optical properties. We use first principles calculations to explore structural, electronic and optical properties of this group, with focus in their two-dimensional forms. We show that all those binary compounds are semiconducting, with bandgap energies covering most of the visible range. They have multiple valleys in the valence and conduction bands, with spin-orbit splitting of the order of 19-86 meV. An enhanced static dielectric permittivity is found for the monolayers. Structural analysis shows that the 2D form of these materials presents very high piezoelectric constants, exceeding values recently observed for other 2D-systems. The existence of a negative Poisson ratio is predicted for the GeS compound. We acknowledge the NRF-CRP award ``Novel 2D materials with tailored properties: beyond graphene'' (R-144-000-295-281).

  18. Comparing IV With Structural Models: What Simple IV Can and Cannot Identify

    PubMed Central

    Heckman, James J.; Urzúa, Sergio

    2009-01-01

    This paper compares the economic questions addressed by instrumental variables estimators with those addressed by structural approaches. We discuss Marschak’s Maxim: estimators should be selected on the basis of their ability to answer well-posed economic problems with minimal assumptions. A key identifying assumption that allows structural methods to be more informative than IV can be tested with data and does not have to be imposed. PMID:20440375

  19. Covalently-controlled properties by design in group IV graphane analogues.

    PubMed

    Jiang, Shishi; Arguilla, Maxx Q; Cultrara, Nicholas D; Goldberger, Joshua E

    2015-01-20

    CONSPECTUS: The isolation of graphene has sparked a renaissance in the study of two-dimensional materials. This led to the discovery of new and unique phenomena such as extremely high carrier mobility, thermal conductivity, and mechanical strength not observed in the parent 3D structure. While the emergence of these phenomena has spurred widespread interest in graphene, the paradox between the high-mobility Fermi-Dirac electronic structure and the need for a sizable band gap has challenged its application in traditional semiconductor devices. While graphene is a fascinating and promising material, the limitation of its electronic structure has inspired researchers to explore other 2D materials beyond graphene. In this Account, we summarize our recent work on a new family of two-dimensional materials based on sp(3)-hybridized group IV elements. Ligand-terminated Si, Ge, and Sn graphane analogues are an emerging and unique class of two-dimensional materials that offer the potential to tailor the structure, stability, and properties. Compared with bulk Si and Ge, a direct and larger band gap is apparent in group IV graphane analogues depending on the surface ligand. These materials can be synthesized in gram-scale quantities and in thin films via the topotactic deintercalation of layered Zintl phase precursors. Few layers and single layers can be isolated via manual exfoliation and deintercalation of epitaxially grown Zintl phases on Si/Ge substrates. The presence of a fourth bond on the surface of the layers allows various surface ligand termination with different organic functional groups achieved via conventional soft chemical routes. In these single-atom thick materials, the electronic structure can be systematically controlled by varying the identities of the main group elements and by attaching different surface terminating ligands. In contrast to transition metal dichalcogenides, the weaker interlayer interaction allows the direct band gap single layer

  20. Validation of Nuclear Criticality Safety Software and 27 energy group ENDF/B-IV cross sections

    SciTech Connect

    Lee, B.L. Jr.

    1994-08-01

    The validation documented in this report is based on calculations that were executed during June through August 1992, and was completed in June 1993. The statistical analyses in Appendix C and Appendix D were completed in October 1993. This validation gives Portsmouth NCS personnel a basis for performing computerized KENO V.a calculations using the Martin Marietta Nuclear Criticality Safety Software. The first portion of the document outlines basic information in regard to validation of NCSS using ENDF/B-IV 27-group cross sections on the IBM 3090 at ORNL. A basic discussion of the NCSS system is provided, some discussion on the validation database and validation in general. Then follows a detailed description of the statistical analysis which was applied. The results of this validation indicate that the NCSS software may be used with confidence for criticality calculations at the Portsmouth Gaseous Diffusion Plant. When the validation results are treated as a single group, there is 95% confidence that 99.9% of future calculations of similar critical systems will have a calculated K{sub eff} > 0.9616. Based on this result the Portsmouth Nuclear Criticality Safety Department has adopted the calculational acceptance criteria that a k{sub eff} + 2{sigma} {le} 0.95 is safety subcritical. The validation of NCSS on the IBM 3090 at ORNL was extended to include NCSS on the IBM 3090 at K-25.

  1. Electronic and optical properties of the monolayer group-IV monochalcogenides M X (M =Ge ,Sn ; X =S ,Se ,Te )

    NASA Astrophysics Data System (ADS)

    Xu, Lei; Yang, Ming; Wang, Shi Jie; Feng, Yuan Ping

    2017-06-01

    By using density-functional theory and many-body perturbation theory based first-principles calculations, we have systematically investigated the electronic and optical properties of monolayer group-IV monochalcogenides M X (M =Ge ,Sn ; X =S ,Se ,Te ). All M X monolayers are predicted to be indirect gap semiconductors, except the GeSe monolayer, which has a direct gap of 1.66 eV. The carrier mobilities of M X monolayers are estimated to be on the order of 103 to 105c m2V-1s-1 , which is comparable to, and in some cases higher than, that of phosphorene using a phonon-limited scattering model. Moreover, the optical spectra of M X monolayers obtained from GW-Bethe-Salpeter equation calculations are highly orientation dependent, especially for the GeS monolayer, suggesting their potential application as a linear polarizing filter. Our results reveal that the GeSe monolayer is an attractive candidate for optoelectronic applications as it is a semiconductor with a direct band gap, a relatively high carrier mobility, and an onset optical absorption energy in the visible light range. Finally, based on an effective-mass model with nonlocal Coulomb interaction included, we find that the excitonic effects of the GeSe monolayer can be effectively tuned by the presence of dielectric substrates. Our studies provide an improved understanding of electronic, optical, and excitonic properties of group-IV monochalcogenides monolayers and might shed light on their potential electronic and optoelectronic applications.

  2. 33 CFR 155.1050 - Response plan development and evaluation criteria for vessels carrying groups I through IV...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... evaluation criteria for vessels carrying groups I through IV petroleum oil as a primary cargo. 155.1050...) POLLUTION OIL OR HAZARDOUS MATERIAL POLLUTION PREVENTION REGULATIONS FOR VESSELS Tank Vessel Response Plans for Oil § 155.1050 Response plan development and evaluation criteria for vessels carrying groups I...

  3. 33 CFR 155.1050 - Response plan development and evaluation criteria for vessels carrying groups I through IV...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... evaluation criteria for vessels carrying groups I through IV petroleum oil as a primary cargo. 155.1050...) POLLUTION OIL OR HAZARDOUS MATERIAL POLLUTION PREVENTION REGULATIONS FOR VESSELS Tank Vessel Response Plans for Oil § 155.1050 Response plan development and evaluation criteria for vessels carrying groups I...

  4. 33 CFR 155.1050 - Response plan development and evaluation criteria for vessels carrying groups I through IV...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... evaluation criteria for vessels carrying groups I through IV petroleum oil as a primary cargo. 155.1050...) POLLUTION OIL OR HAZARDOUS MATERIAL POLLUTION PREVENTION REGULATIONS FOR VESSELS Tank Vessel Response Plans for Oil § 155.1050 Response plan development and evaluation criteria for vessels carrying groups I...

  5. 33 CFR 155.1050 - Response plan development and evaluation criteria for vessels carrying groups I through IV...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... evaluation criteria for vessels carrying groups I through IV petroleum oil as a primary cargo. 155.1050...) POLLUTION OIL OR HAZARDOUS MATERIAL POLLUTION PREVENTION REGULATIONS FOR VESSELS Tank Vessel Response Plans for Oil § 155.1050 Response plan development and evaluation criteria for vessels carrying groups I...

  6. The growth and characterization of Group IV alloys for near to mid-infrared detectors

    NASA Astrophysics Data System (ADS)

    Hart, John Thomas

    Near infrared and mid infrared optoelectronic devices have become increasingly important for the telecommunications, security, and medical imaging industries. An infrared system fully integrated in a silicon chip manufactured in a high-volume CMOS foundry is therefore a much desired technology. Such a technology would allow the integration of mid-IR technology with new functionality, lower costs, smaller size, weight and power, and higher reliability. The focus of this dissertation is on the advancement of low temperature Group IV epitaxy of tin containing alloys for use in near to mid- infrared technologies. To that end, various epitaxial techniques and improvements were made and several detector device structures were characterized. Low temperature epitaxy is vital to achieve Sn containing Group IV films, and both ultra-high vacuum chemical vapor deposition (UHV-CVD) and molecular beam epitaxy (MBE) were utilized to this end. New precursors are needed in CVD to maintain film growth at reduced temperatures. The novel precursors tetrasilane and digermane were studied for their low temperature compatibility. Crystalline silicon and silicon germanium alloys were deposited and characterized, finding high quality, bulk-like films. Tin-chloride was investigated as a possible Sn precursor, but was found to etch Ge. Multiple innovations in GeSn epitaxy in MBE were made, including both n- and p-type doping and higher Sn concentrations than those previously achieved for devices. While careful consideration needed to be taken into account for the growth of GeSn, normal clean room processing was not found to have any adverse effect on the material. Photoconductive and photodiode type detectors of GeSn films on Si substrates were fabricated. The wavelength response of the material was measured to continually increase into the mid-infrared as the Sn content was increased, reaching almost 4microm for a 15.6% Sn device at room temperature. The responsivity of the detectors was

  7. Modeling Interactions in Small Groups

    ERIC Educational Resources Information Center

    Heise, David R.

    2013-01-01

    A new theory of interaction within small groups posits that group members initiate actions when tension mounts between the affective meanings of their situational identities and impressions produced by recent events. Actors choose partners and behaviors so as to reduce the tensions. A computer model based on this theory, incorporating reciprocal…

  8. Modeling Interactions in Small Groups

    ERIC Educational Resources Information Center

    Heise, David R.

    2013-01-01

    A new theory of interaction within small groups posits that group members initiate actions when tension mounts between the affective meanings of their situational identities and impressions produced by recent events. Actors choose partners and behaviors so as to reduce the tensions. A computer model based on this theory, incorporating reciprocal…

  9. Bifactor Modeling and the Estimation of Model-Based Reliability in the WAIS-IV

    ERIC Educational Resources Information Center

    Gignac, Gilles E.; Watkins, Marley W.

    2013-01-01

    Previous confirmatory factor analytic research that has examined the factor structure of the Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV) has endorsed either higher order models or oblique factor models that tend to amalgamate both general factor and index factor sources of systematic variance. An alternative model that has not yet…

  10. Bifactor Modeling and the Estimation of Model-Based Reliability in the WAIS-IV

    ERIC Educational Resources Information Center

    Gignac, Gilles E.; Watkins, Marley W.

    2013-01-01

    Previous confirmatory factor analytic research that has examined the factor structure of the Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV) has endorsed either higher order models or oblique factor models that tend to amalgamate both general factor and index factor sources of systematic variance. An alternative model that has not yet…

  11. Modelling of advanced structural materials for GEN IV reactors

    NASA Astrophysics Data System (ADS)

    Samaras, M.; Hoffelner, W.; Victoria, M.

    2007-09-01

    The choice of suitable materials and the assessment of long-term materials damage are key issues that need to be addressed for the safe and reliable performance of nuclear power plants. Operating conditions such as high temperatures, irradiation and a corrosive environment degrade materials properties, posing the risk of very expensive or even catastrophic plant damage. Materials scientists are faced with the scientific challenge to determine the long-term damage evolution of materials under service exposure in advanced plants. A higher confidence in life-time assessments of these materials requires an understanding of the related physical phenomena on a range of scales from the microscopic level of single defect damage effects all the way up to macroscopic effects. To overcome lengthy and expensive trial-and-error experiments, the multiscale modelling of materials behaviour is a promising tool, bringing new insights into the fundamental understanding of basic mechanisms. This paper presents the multiscale modelling methodology which is taking root internationally to address the issues of advanced structural materials for Gen IV reactors.

  12. Photoelectron Spectroscopy and Electronic Structure of Heavy GroupIV-VI Diatomics

    SciTech Connect

    Wang, L.-S.; Niu, B.; Lee, Yuan T.; Shirley, D.A.; Balasubramanian, K.

    1989-09-01

    Vibrationally-resolved HeI (584{angstrom}) photoelectron spectra of the heavy group IV-VI diatomics SnSe, SnTe, PbSe, and PbTe were obtained with a new high temperature molecular beam source. Ionization potentials and spectroscopic constants are reported for all the ionic states observed. Relativistic complete active space MCSCF followed by multireference singles + doubles relativistic CI calculations which included up to 200,000 configurations were made on both the neutral diatomics and their positive ions. Ionization potentials and spectroscopic constants were calculated and were in good agreement with the experimentally-measured values. Relativistic CI potential energy curves were calculated for all the neutral ground states and the ionic states involved. Relativistic effects were shown to play an important role in these heavy diatomics. The {sup 2}{Sigma}{sub 1/2}{sup +} and {sup 2}{Pi}{sub 1/2} states for all four molecular ions showed avoided curve crossings, which resulted in pronounced shoulders in the {Omega} = 1/2 potential energy curves of PbTe{sup +}. Experimentally, autoionization transitions were also observed for the PbTe{sup +} spectrum. The importance of the relativistic effect and chemical bonding in the heavy diatomics are discussed.

  13. Structure and magnetism in novel group IV element-based magnetic materials

    SciTech Connect

    Tsui, Frank

    2013-08-14

    The project is to investigate structure, magnetism and spin dependent states of novel group IV element-based magnetic thin films and heterostructures as a function of composition and epitaxial constraints. The materials systems of interest are Si-compatible epitaxial films and heterostructures of Si/Ge-based magnetic ternary alloys grown by non-equilibrium molecular beam epitaxy (MBE) techniques, specifically doped magnetic semiconductors (DMS) and half-metallic Heusler alloys. Systematic structural, chemical, magnetic, and electrical measurements are carried out, using x-ray microbeam techniques, magnetotunneling spectroscopy and microscopy, and magnetotransport. The work is aimed at elucidating the nature and interplay between structure, chemical order, magnetism, and spin-dependent states in these novel materials, at developing materials and techniques to realize and control fully spin polarized states, and at exploring fundamental processes that stabilize the epitaxial magnetic nanostructures and control the electronic and magnetic states in these complex materials. Combinatorial approach provides the means for the systematic studies, and the complex nature of the work necessitates this approach.

  14. Phonon transport properties of two-dimensional group-IV materials from ab initio calculations

    NASA Astrophysics Data System (ADS)

    Peng, Bo; Zhang, Hao; Shao, Hezhu; Xu, Yuanfeng; Ni, Gang; Zhang, Rongjun; Zhu, Heyuan

    2016-12-01

    It has been argued that stanene has lowest lattice thermal conductivity among two-dimensional (2D) group-IV materials because of its largest atomic mass, weakest interatomic bonding, and enhanced ZA phonon scattering due to the breaking of an out-of-plane symmetry selection rule. However, we show that, although the lattice thermal conductivity κ for graphene, silicene, and germanene decreases monotonically with decreasing Debye temperature, unexpected higher κ is observed in stanene. By enforcing all the invariance conditions in 2D materials and including Ge 3 d and Sn 4 d electrons as valence electrons for germanene and stanene, respectively, the lattice dynamics in these materials are accurately described. A large acoustic-optical gap and the bunching of the acoustic-phonon branches significantly reduce phonon scattering in stanene, leading to higher thermal conductivity than germanene. The vibrational origin of the acoustic-optical gap can be attributed to the buckled structure. Interestingly, a buckled system has two competing influences on phonon transport: the breaking of the symmetry selection rule leads to reduced thermal conductivity, and the enlarging of the acoustic-optical gap results in enhanced thermal conductivity. The size dependence of thermal conductivity is investigated as well. In nanoribbons, the κ of silicene, germanene, and stanene is much less sensitive to size effect due to their short intrinsic phonon mean-free paths. This work sheds light on the nature of phonon transport in buckled 2D materials.

  15. Tunable magnetic states on the zigzag edges of hydrogenated and halogenated group-IV nanoribbons

    NASA Astrophysics Data System (ADS)

    Wang, Tzu-Cheng; Hsu, Chia-Hsiu; Huang, Zhi-Quan; Chuang, Feng-Chuan; Su, Wan-Sheng; Guo, Guang-Yu

    2016-12-01

    The magnetic and electronic properties of hydrogenated and halogenated group-IV zigzag nanoribbons (ZNRs) are investigated by first-principles density functional calculations. Fascinatingly, we find that all the ZNRs have magnetic edges with a rich variety of electronic and magnetic properties tunable by selecting the parent and passivating elements as well as controlling the magnetization direction and external strain. In particular, the electric property of the edge band structure can be tuned from the conducting to insulating with a band gap up to 0.7 eV. The last controllability would allow us to develop magnetic on-off nano-switches. Furthermore, ZNRs such as SiI, Ge, GeI and SnH, have fully spin-polarized metallic edge states and thus are promising materials for spintronics. The calculated magnetocrystalline anisotropy energy can be as large as ~9 meV/edge-site, being 2×103 time greater than that of bulk Ni and Fe (~5 μeV/atom), and thus has great potential for high density magneto-electric data-storage devices. Finally, the calculated exchange coupling strength and thus magnetic transition temperature increases as the applied strain goes from -5% to 5%. Our findings thus show that these ZNRs would have exciting applications in next-generation electronic and spintronic nano-devices.

  16. Hybrid Group IV Nanophotonic Structures Incorporating Diamond Silicon-Vacancy Color Centers.

    PubMed

    Zhang, Jingyuan Linda; Ishiwata, Hitoshi; Babinec, Thomas M; Radulaski, Marina; Müller, Kai; Lagoudakis, Konstantinos G; Dory, Constantin; Dahl, Jeremy; Edgington, Robert; Soulière, Veronique; Ferro, Gabriel; Fokin, Andrey A; Schreiner, Peter R; Shen, Zhi-Xun; Melosh, Nicholas A; Vučković, Jelena

    2016-01-13

    We demonstrate a new approach for engineering group IV semiconductor-based quantum photonic structures containing negatively charged silicon-vacancy (SiV(-)) color centers in diamond as quantum emitters. Hybrid diamond-SiC structures are realized by combining the growth of nano- and microdiamonds on silicon carbide (3C or 4H polytype) substrates, with the subsequent use of these diamond crystals as a hard mask for pattern transfer. SiV(-) color centers are incorporated in diamond during its synthesis from molecular diamond seeds (diamondoids), with no need for ion-implantation or annealing. We show that the same growth technique can be used to grow a diamond layer controllably doped with SiV(-) on top of a high purity bulk diamond, in which we subsequently fabricate nanopillar arrays containing high quality SiV(-) centers. Scanning confocal photoluminescence measurements reveal optically active SiV(-) lines both at room temperature and low temperature (5 K) from all fabricated structures, and, in particular, very narrow line widths and small inhomogeneous broadening of SiV(-) lines from all-diamond nanopillar arrays, which is a critical requirement for quantum computation. At low temperatures (5 K) we observe in these structures the signature typical of SiV(-) centers in bulk diamond, consistent with a double lambda. These results indicate that high quality color centers can be incorporated into nanophotonic structures synthetically with properties equivalent to those in bulk diamond, thereby opening opportunities for applications in classical and quantum information processing.

  17. Tunable magnetic states on the zigzag edges of hydrogenated and halogenated group-IV nanoribbons

    PubMed Central

    Wang, Tzu-Cheng; Hsu, Chia-Hsiu; Huang, Zhi-Quan; Chuang, Feng-Chuan; Su, Wan-Sheng; Guo, Guang-Yu

    2016-01-01

    The magnetic and electronic properties of hydrogenated and halogenated group-IV zigzag nanoribbons (ZNRs) are investigated by first-principles density functional calculations. Fascinatingly, we find that all the ZNRs have magnetic edges with a rich variety of electronic and magnetic properties tunable by selecting the parent and passivating elements as well as controlling the magnetization direction and external strain. In particular, the electric property of the edge band structure can be tuned from the conducting to insulating with a band gap up to 0.7 eV. The last controllability would allow us to develop magnetic on-off nano-switches. Furthermore, ZNRs such as SiI, Ge, GeI and SnH, have fully spin-polarized metallic edge states and thus are promising materials for spintronics. The calculated magnetocrystalline anisotropy energy can be as large as ~9 meV/edge-site, being 2×103 time greater than that of bulk Ni and Fe (~5 μeV/atom), and thus has great potential for high density magneto-electric data-storage devices. Finally, the calculated exchange coupling strength and thus magnetic transition temperature increases as the applied strain goes from −5% to 5%. Our findings thus show that these ZNRs would have exciting applications in next-generation electronic and spintronic nano-devices. PMID:27982055

  18. Hybrid Group IV Nanophotonic Structures Incorporating Diamond Silicon-Vacancy Color Centers

    NASA Astrophysics Data System (ADS)

    Zhang, Jingyuan Linda; Ishiwata, Hitoshi; Babinec, Thomas M.; Radulaski, Marina; Müller, Kai; Lagoudakis, Konstantinos G.; Dory, Constantin; Dahl, Jeremy; Edgington, Robert; Soulière, Veronique; Ferro, Gabriel; Fokin, Andrey A.; Schreiner, Peter R.; Shen, Zhi-Xun; Melosh, Nicholas A.; Vučković, Jelena

    2016-01-01

    We demonstrate a new approach for engineering group IV semiconductor-based quantum photonic structures containing negatively charged silicon-vacancy (SiV$^-$) color centers in diamond as quantum emitters. Hybrid SiC/diamond structures are realized by combining the growth of nanoand micro-diamonds on silicon carbide (3C or 4H polytype) substrates, with the subsequent use of these diamond crystals as a hard mask for pattern transfer. SiV$^-$ color centers are incorporated in diamond during its synthesis from molecular diamond seeds (diamondoids), with no need for ionimplantation or annealing. We show that the same growth technique can be used to grow a diamond layer controllably doped with SiV$^-$ on top of a high purity bulk diamond, in which we subsequently fabricate nanopillar arrays containing high quality SiV$^-$ centers. Scanning confocal photoluminescence measurements reveal optically active SiV$^-$ lines both at room temperature and low temperature (5 K) from all fabricated structures, and, in particular, very narrow linewidths and small inhomogeneous broadening of SiV$^-$ lines from all-diamond nano-pillar arrays, which is a critical requirement for quantum computation. At low temperatures (5 K) we observe in these structures the signature typical of SiV$^-$ centers in bulk diamond, consistent with a double lambda. These results indicate that high quality color centers can be incorporated into nanophotonic structures synthetically with properties equivalent to those in bulk diamond, thereby opening opportunities for applications in classical and quantum information processing.

  19. Confinement effects in π-bonded chains at group IV semiconductor (111) surfaces

    NASA Astrophysics Data System (ADS)

    Bonanni, B.; Bussetti, G.; Violante, A.; Chiaradia, P.; Goletti, C.

    2013-12-01

    The degree of 1D character of surface chains at group IV (111)-2 × 1 reconstructed surfaces is established by surface sensitive optical spectroscopy. Optical experiments on a diamond C(111)-2 × 1 surface show that the absorption peak related to dangling-bond transitions exhibits a marked blueshift upon oxygen exposure of the clean surface. Such behaviour is analogous to that observed on a clean Si(111)-2 × 1 surface. For both surfaces the experimental finding is interpreted in terms of quantum confinement of surface electrons in quasi-one-dimensional π-bonded chains, whose length decreases with oxygen uptake. A different behaviour is observed in Ge(111)-2 × 1, where only a very slight blueshift of the surface-state optical transition is detected upon oxidation. The almost negligible blueshift in Ge(111)-2 × 1 is consistent with a significant coupling between the π-bonded chains resulting in a much less pronounced one-dimensional character of Ge(111)-2 × 1 surface electrons compared to diamond and silicon reconstructed surfaces.

  20. Bifactor Modeling and the Estimation of Model-Based Reliability in the WAIS-IV.

    PubMed

    Gignac, Gilles E; Watkins, Marley W

    2013-09-01

    Previous confirmatory factor analytic research that has examined the factor structure of the Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV) has endorsed either higher order models or oblique factor models that tend to amalgamate both general factor and index factor sources of systematic variance. An alternative model that has not yet been examined for the WAIS-IV is the bifactor model. Bifactor models allow all subtests to load onto both the general factor and their respective index factor directly. Bifactor models are also particularly amenable to the estimation of model-based reliabilities for both global composite scores (ω h ) and subscale/index scores (ω s ). Based on the WAIS-IV normative sample correlation matrices, a bifactor model that did not include any index factor cross loadings or correlated residuals was found to be better fitting than the conventional higher order and oblique factor models. Although the ω h estimate associated with the full scale intelligence quotient (FSIQ) scores was respectably high (.86), the ω s estimates associated with the WAIS-IV index scores were very low (.13 to .47). The results are interpreted in the context of the benefits of a bifactor modeling approach. Additionally, in light of the very low levels of unique internal consistency reliabilities associated with the index scores, it is contended that clinical index score interpretations are probably not justifiable.

  1. Delayed type IV muscle flap in a feline model.

    PubMed

    Snyder, Ned; Craven, Cameron; Phillips, Linda G

    2006-03-01

    The concept of delaying a skin flap is well established and has been implemented into plastic surgery practice for years. Some investigators have delayed musculocutaneous flaps to improve the perforator inflow. To our knowledge, the concept of delaying a muscle flap had previously never been tested in a model with segmental pedicles. Five cats each underwent 3 sequential operations providing them with a sartorius muscle whose blood supply was a single distal pedicle. The opposite leg was used as a control. Our delayed type IV muscle flap demonstrated perfusion to the proximal tip of the sartorius muscle without necrosis or loss of muscle mass (P < 0.0001). The control showed no evidence of perfusion beyond the distal portion of the muscle when infused through the distal pedicle. The delayed flap can survive on a distal blood supply that would not be adequate in a single-stage procedure. This flap has an increased arc of rotation that may provide solutions to difficult reconstructive problems in the groin, lower abdomen, genitalia, knee, proximal leg, and might be suitable as a free flap.

  2. Expression of ABH blood group antigens, Ulex europaeus agglutinin I, and type IV collagen in the sinusoids of hepatocellular carcinoma.

    PubMed

    Terada, T; Nakanuma, Y

    1991-01-01

    The expression of blood group antigens (A, B, H, Lewis(a) and Lewis(b)), Ulex europaeus agglutinin I (UEA-I), factor VIII-related antigen, and type IV collagen on the sinusoids was examined immunohistochemically in 15 cases of hepatocellular carcinomas (HCC), 11 cases of cirrhosis, 12 cases of chronic active hepatitis, and in a control sample of 16 normal livers. Sinusoidal endothelial cells of HCC characteristically showed a diffuse and strong immunoreactivity to ABH blood group antigens in the specimen with a comparable ABO blood group. The sinusoidal endothelial cells were also diffusely and strongly positive for UEA-I receptors. In contrast, in cirrhosis and chronic active hepatitis a few sinusoidal endothelial cells were positive for ABH blood group antigens and UEA-I receptors. In normal livers, only a few sinusoidal endothelial cells were positive for ABH blood group antigens and UEA-1 receptors. Tests for factor VIII-related antigen and Lewis blood group antigens were almost negative on sinusoidal endothelial cells. Although type IV collagen was distributed diffusely in the space of Disse in these four groups, its expression was strongest in HCC. Blood vessels of portal tracts and fibrous septa were positive for ABH blood group antigens, UEA-1 receptors, factor VIII-related antigen, and type IV collagen, but negative for Lewis blood group antigens. These findings suggest that some sinusoidal endothelial cells undergo "capillarization" in cirrhosis and chronic active hepatitis, and that the majority of sinusoidal endothelial cells of HCC have phenotypic characteristics of capillaries.

  3. Visualization and Modeling Working Group

    SciTech Connect

    Fernandez, S.J.; Dodrill, K.A.

    2007-03-01

    During the 2005 Hurricane season, many consequence predictions were available from 36 to 96 hours before landfalls, via the Department of Energy’s Visualization and Modeling Working Group (VMWG). Real-time data can be tapped by local officials and utilities, and can also be accessed for post-event regulatory audits. An overview of VMWG’s models, results and uses will be presented.

  4. Effect of Supercoiling on the Mechanical and Permeability Properties of Model Collagen IV Networks.

    PubMed

    Gyoneva, Lazarina; Segal, Yoav; Dorfman, Kevin D; Barocas, Victor H

    2015-07-01

    Collagen IV networks in the glomerular basement membrane (GBM) are essential for the maintenance and regulation of blood filtration in the kidneys. The GBM contains two different types of collagen IV networks: [α1(IV)]2α2(IV) and α3(IV)α4(IV)α5(IV), the latter of which has a higher number of supercoils (two or more collagens coiling around each other). To investigate the effects of supercoiling on the mechanical and permeability properties of collagen IV networks, we generated model collagen IV networks in the GBM and reconnected them to create different levels of supercoiling. We found that supercoiling greatly increases the stiffness of collagen IV networks but only minimally decreases the permeability. Also, doubling the amount of supercoils in a network had a bigger effect than doubling the stiffness of the supercoils. Our results suggest that the formation of supercoils is a specialized mechanism by the GBM that provides with a network stiff and strong enough to withstand the high hydrostatic pressures of filtration, yet porous enough that filtration is not hindered. Clinically, understanding the effects of supercoiling gives us insight into the mechanisms of GBM failure in some disease states where the normal collagen IV structure is disrupted.

  5. Mobilization Base Requirements Model (MOBREM) Study. Phases I-V.

    DTIC Science & Technology

    1984-08-01

    providers. Based on CAA experience in :naking data modifications, the communication produces the best results when the MOBREM operational analyst...Revipw ani va ,ato contr-actor pr- re Trl:, A an~pr-oducti. periodi )f c.rrict MAJ TAYOR /70614I B -48 CAA-SR-84-22 STATEMENT OF WORK MOBREM PHASE IV

  6. Electron/phonon coupling in group-IV transition-metal and rare-earth nitrides

    NASA Astrophysics Data System (ADS)

    Mei, A. B.; Rockett, A.; Hultman, L.; Petrov, I.; Greene, J. E.

    2013-11-01

    Transport electron/phonon coupling parameters and Eliashberg spectral functions αtr2F(ℏω) are determined for group-IV transition-metal (TM) nitrides TiN, ZrN, and HfN, and the rare-earth (RE) nitride CeN using an inversion procedure based upon temperature-dependent (4 < T < 300 K) resistivity measurements of high-crystalline-quality stoichiometric epitaxial films grown on MgO(001) by magnetically-unbalanced reactive magnetron sputtering. Transport electron/phonon coupling parameters λtr vary from 1.11 for ZrN to 0.82 for HfN, 0.73 for TiN, and 0.44 for CeN. The small variation in λtr among the TM nitrides and the weak coupling in CeN are consistent with measured superconducting transition temperatures 10.4 (ZrN), 9.18 (HfN), 5.35 (TiN), and <4 K for CeN. The Eliashberg spectral function describes the strength and energy spectrum of electron/phonon coupling in conventional superconductors. Spectral peaks in α2F(ℏω), corresponding to regions in energy-space for which electrons couple to acoustic ℏωac and optical ℏωop phonon modes, are centered at ℏωac = 33 and ℏωop = 57 meV for TiN, 25 and 60 meV for ZrN, 18 and 64 meV for HfN, and 21 and 39 meV for CeN. The acoustic modes soften with increasing cation mass; optical mode energies remain approximately constant for the TM nitrides, but are significantly lower for the RE nitride due to a lower interatomic force constant. Optical/acoustic peak-intensity ratios are 1.15 ± 0.1 for all four nitrides, indicating similar electron/phonon coupling strengths αtr(ℏω) for both modes.

  7. A new group in the Leptospirillum clade: cultivation-independent community genomics, proteomics and transcriptomics of the new species Leptospirillum group IV UBA BS.

    SciTech Connect

    Goltsman, Daniela; Dasari, Mauna; Thomas, BC; Shah, Manesh B; Verberkmoes, Nathan C; Hettich, Robert {Bob} L; Banfield, Jillian F.

    2013-01-01

    Leptospirillum spp. are widespread members of acidophilic microbial communities that catalyze ferrous iron oxidation, thereby increasing sulfide mineral dissolution rates. These bacteria play important roles in environmental acidification and are harnessed for bioleaching-based metal recovery. Known members of the Leptospirillum clade of the Nitrospira phylum are Leptospirillum ferrooxidans (group I), Leptospirillum ferriphilum and Leptospirillum rubarum (group II), and Leptospirillum ferrodiazotrophum (group III). In the Richmond Mine acid mine drainage (AMD) system, biofilm formation is initiated by L. rubarum; L. ferrodiazotrophum appears in later developmental stages. Here we used community metagenomic data from unusual, thick floating biofilms to identify distinguishing metabolic traits in a rare and uncultivated community member, the new species Leptospirillum group IV UBA BS. These biofilms typically also contain a variety of Archaea, Actinobacteria, and a few other Leptospirillum spp. The Leptospirillum group IV UBA BS species shares 98% 16S rRNA sequence identity and 70% average amino acid identity between orthologs with its closest relative, L. ferrodiazotrophum. The presence of nitrogen fixation and reverse tricarboxylic acid (TCA) cycle proteins suggest an autotrophic metabolism similar to that of L. ferrodiazotrophum, while hydrogenase proteins suggest anaerobic metabolism. Community transcriptomic and proteomic analyses demonstrate expression of a multicopper oxidase unique to this species, as well as hydrogenases and core metabolic genes. Results suggest that the Leptospirillum group IV UBA BS species might play important roles in carbon fixation, nitrogen fixation, hydrogen metabolism, and iron oxidation in some acidic environments.

  8. Validation of DSM-IV Model of Psychiatric Syndromes in Children with Autism Spectrum Disorders

    ERIC Educational Resources Information Center

    Lecavalier, Luc; Gadow, Kenneth D.; DeVincent, Carla J.; Edwards, Michael C.

    2009-01-01

    The objective of this study was to assess the internal construct validity of the DSM-IV as a conceptual model for characterizing behavioral syndromes in children with ASD. Parent and teachers completed the Child Symptom Inventory-4, a DSM-IV-referenced rating scale, for 6-to-12 year old clinic referrals with an ASD (N = 498). Ratings were…

  9. Nanosheets by design: The controllable synthesis of group IV-VI layered semiconductor chalcogenide nanostructures using colloidal chemistry

    NASA Astrophysics Data System (ADS)

    Vaughn, Dimitri D., II

    Nanosheets, a class of nanomaterials with two-dimensional structure and atomic or molecular scale thickness, have attracted a great deal of interest from the scientific community due to excellent physical properties and several promising applications in optoelectronics, energy conversion and storage, and catalysis. While advances in the synthesis of 2D nanostructures using top-down. chemical and physical strategies such as exfoliation and mechanical cleavage have been achieved, improved synthesis may be realized by applying bottom-up. colloidal strategies where nanosheets are built. directly from solution in an atomic layer-by-layer fashion. In this dissertation, I will discuss recent advances in the synthesis of semiconductor nanosheets with controllable lateral dimension, thickness, hierarchical structure, and porosity, specifically focusing on a class of group IV-VI layered semiconductor chalcogenides (GeS, GeSe, SnS, and SnSe) as a model system. Finally, I will highlight my efforts for expanding the synthetic framework mentioned above to access other materials, including the colloidal synthesis of germanium and Ge-based nanostructures.

  10. Development of group IV molecular catalysts for high temperature ethylene-α-olefin copolymerization reactions.

    PubMed

    Klosin, Jerzy; Fontaine, Philip P; Figueroa, Ruth

    2015-07-21

    This Account describes our research related to the development of molecular catalysts for solution phase olefin polymerization. Specifically, a series of constrained geometry and nonmetallocene (imino-amido-type) complexes were developed for high temperature olefin polymerization reactions. We have discovered many highly active catalysts that are capable of operating at temperatures above 120 °C and producing copolymers with a useful range of molecular weights (from medium to ultrahigh depending on precatalyst identity and polymerization conditions) and α-olefin incorporation capability. Constrained geometry catalysts (CGCs) exhibit very high activities and are capable of producing a variety of copolymers including ethylene-propylene and ethylene-1-octene copolymers at high reactor temperatures. Importantly, CGCs have much higher reactivity toward α-olefins than classical Ziegler-Natta catalysts, thus allowing for the production of copolymers with any desired level of comonomer. In search of catalysts with improved performance, we discovered 3-amino-substituted indenyl-based CGCs that exhibit the highest activity and produce copolymers with the highest molecular weight within this family of catalysts. Phenanthrenyl-based CGCs were found to be outstanding catalysts for the effective production of high styrene content ethylene-styrene copolymers under industrially relevant conditions. In contrast to CGC ligands, imino-amido-type ligands are bidentate and monoionic, leading to the use of trialkyl group IV precatalysts. The thermal instability of imino-amido complexes was addressed by the development of imino-enamido and amidoquinoline complexes, which are not only thermally very robust, but also produce copolymers with higher molecular weights, and exhibit improved α-olefin incorporation. Imido-amido and imino-enamido catalysts undergo facile chain transfer reactions with metal alkyls, as evidenced by a sharp decrease in polymer molecular weight when the

  11. Group III/IV locomotor muscle afferents alter motor cortical and corticospinal excitability and promote central fatigue during cycling exercise

    PubMed Central

    Sidhu, Simranjit K.; Weavil, Joshua C.; Mangum, Tyler S.; Jessop, Jacob E.; Richardson, Russell S.; Morgan, David E.; Amann, Markus

    2017-01-01

    Objective To investigate the influence of group III/IV muscle afferents on the development of central fatigue and corticospinal excitability during exercise. Methods Fourteen males performed cycling-exercise both under control-conditions (CTRL) and with lumbar intrathecal fentanyl (FENT) impairing feedback from leg muscle afferents. Transcranial magnetic- and cervicomedullary stimulation was used to monitor cortical versus spinal excitability. Results While fentanyl-blockade during non-fatiguing cycling had no effect on motor-evoked potentials (MEPs), cervicomedullary-evoked motor potentials (CMEPs) were 13 ± 3% higher (P < 0.05), resulting in a decrease in MEP/CMEP (P < 0.05). Although the pre- to post-exercise reduction in resting twitch was greater in FENT vs. CTRL (−53 ± 3% vs. −39 ± 3%; P < 0.01), the reduction in voluntary muscle activation was smaller (−2 ± 2% vs. −10 ± 2%; P < 0.05). Compared to the start of fatiguing exercise, MEPs and CMEPs were unchanged at exhaustion in CTRL. In contrast, MEPs and MEP/CMEP increased 13 ± 3% and 25 ± 6% in FENT (P < 0.05). Conclusion During non-fatiguing exercise, group III/IV muscle afferents disfacilitate, or inhibit, spinal motoneurons and facilitate motor cortical cells. In contrast, during exhaustive exercise, group III/IV muscle afferents disfacilitate/inhibit the motor cortex and promote central fatigue. Significance Group III/IV muscle afferents influence corticospinal excitability and central fatigue during whole-body exercise in humans. PMID:27866119

  12. Open-framework clathrates of group IV elements: Synthesis, structure, and characterization

    NASA Astrophysics Data System (ADS)

    Ramachandran, Ganesh K.

    This study addresses the synthesis, the characterization by x-ray diffraction and nuclear magnetic resonance (NMR) spectroscopy, and the measurement of the electrical properties of members of a class of compounds known as silicon and germanium clathrates. A quantitative 29Si NMR study of Na8Si 46 along with Rietveld refinement of site occupancies demonstrates that the compound is the stoichiometric clathrate Na8Si46, rather than an intermetallic Zintl compound containing silicon vacancies. In line with the observations on Na8Si46, the homologous K8Si46 and Rb6Si46 alkali-silicon clathrates are also observed to be fully stoichiometric at the framework sites, i.e., devoid of framework vacancies. In contrast two vacancies are formed predominantly at one-third of the crystallographic 6c tetrahedral sites in the homologous alkali-germanium and alkali-tin systems. This result is understood generally in terms of weaker Tt-Tt (Tt = Si, Ge, Sn) bonding as one descends the periodic table. The synthesis and characterization of the Structure II silicon clathrate NaxSi136 (x = 4--23) by powder x-ray diffraction combined with Rietveld profile analysis is also reported. In NaxSi 136, systematic changes in x-ray diffraction intensities enable the Na content and site occupancy to be characterized. In the same structure, we observe a 0.5% increase in the unit cell edge upon progressing from Na 4Si136 to Na23Si136. A statistical mechanical model combined with experimental data for this phase reveals a preference for the removal of sodium from the smaller of the two available cages by 0.190 +/- 0.050 eV. The Structure II clathrate Na16Cs8Si136 was synthesized employing the silicides of sodium and cesium as intermediates. In the same compound, large 23Na and 29Si Knight shifts are observed in 29Si magic angle spinning (MAS) NMR experiments. Electrical conductivity measurements on cold pressed samples of the material also indicate metallic behavior, with a room temperature value of rho

  13. Pharmacological Properties of Riparin IV in Models of Pain and Inflammation.

    PubMed

    Nascimento, Olívia Azevêdo; Espírito-Santo, Renan Fernandes do; Opretzka, Luíza Carolina França; Barbosa-Filho, José Maria; Gutierrez, Stanley Juan Chavez; Villarreal, Cristiane Flora; Soares, Milena Botelho Pereira

    2016-12-21

    Riparins, natural alkaloids of the alkamide group, can be synthesized by simple methods, enhancing their potential application in pharmaceutical development. Here, the pharmacological properties of riparins were investigated in in vitro and in vivo assays of pain and inflammation in Swiss mice. Inflammatory mediators were measured by radioimmunoassay and Real-Time PCR. Riparins I, II, III and IV (1.56-100 mg/kg; ip) produced dose-related antinociceptive effects in the formalin test, exhibiting ED50 values of 22.93, 114.2, 31.05 and 6.63 mg/kg, respectively. Taking the greater potency as steering parameter, riparin IV was further investigated. Riparin IV did not produce antinociceptive effect on the tail flick, suggesting that its antinociception is not a centrally-mediated action. In fact, riparin IV (1.56-25 mg/kg) produced dose-related antinociceptive and antiedematogenic effects on the complete Freund's adjuvant (CFA)-induced paw inflammation in mice. During CFA-induced inflammation, riparin IV did not modulate either the production of cytokines, TNF-α and IL-10, or COX-2 mRNA expression. On the other hand, riparin IV decreased the PGE₂ levels in the inflamed paw. In in vitro assays, riparin IV did not exhibit suppressive activities in activated macrophages. These results indicate, for the first time, that riparin IV induces antinociceptive and anti-inflammatory effects, possibly through the inhibition of prostanoid production.

  14. Modeling Grade IV Gas Emboli using a Limited Failure Population Model with Random Effects

    NASA Technical Reports Server (NTRS)

    Thompson, Laura A.; Conkin, Johnny; Chhikara, Raj S.; Powell, Michael R.

    2002-01-01

    Venous gas emboli (VGE) (gas bubbles in venous blood) are associated with an increased risk of decompression sickness (DCS) in hypobaric environments. A high grade of VGE can be a precursor to serious DCS. In this paper, we model time to Grade IV VGE considering a subset of individuals assumed to be immune from experiencing VGE. Our data contain monitoring test results from subjects undergoing up to 13 denitrogenation test procedures prior to exposure to a hypobaric environment. The onset time of Grade IV VGE is recorded as contained within certain time intervals. We fit a parametric (lognormal) mixture survival model to the interval-and right-censored data to account for the possibility of a subset of "cured" individuals who are immune to the event. Our model contains random subject effects to account for correlations between repeated measurements on a single individual. Model assessments and cross-validation indicate that this limited failure population mixture model is an improvement over a model that does not account for the potential of a fraction of cured individuals. We also evaluated some alternative mixture models. Predictions from the best fitted mixture model indicate that the actual process is reasonably approximated by a limited failure population model.

  15. Modeling Grade IV Gas Emboli using a Limited Failure Population Model with Random Effects

    NASA Astrophysics Data System (ADS)

    Thompson, Laura A.; Conkin, Johnny; Chhikara, Raj S.; Powell, Michael R.

    2002-05-01

    Venous gas emboli (VGE) (gas bubbles in venous blood) are associated with an increased risk of decompression sickness (DCS) in hypobaric environments. A high grade of VGE can be a precursor to serious DCS. In this paper, we model time to Grade IV VGE considering a subset of individuals assumed to be immune from experiencing VGE. Our data contain monitoring test results from subjects undergoing up to 13 denitrogenation test procedures prior to exposure to a hypobaric environment. The onset time of Grade IV VGE is recorded as contained within certain time intervals. We fit a parametric (lognormal) mixture survival model to the interval-and right-censored data to account for the possibility of a subset of "cured" individuals who are immune to the event. Our model contains random subject effects to account for correlations between repeated measurements on a single individual. Model assessments and cross-validation indicate that this limited failure population mixture model is an improvement over a model that does not account for the potential of a fraction of cured individuals. We also evaluated some alternative mixture models. Predictions from the best fitted mixture model indicate that the actual process is reasonably approximated by a limited failure population model.

  16. The Fe Group Abundances in the B3 IV Standard ι Herculis Determined from ASTRAL II Observations

    NASA Astrophysics Data System (ADS)

    Peters, Geraldine J.; Proffitt, Charles R.; Adelman, Saul J.; Ayres, Thomas R.

    2017-01-01

    Iota Herculis is an ultrasharp-lined B3 IV star that historically has been considered as an abundance standard for the early B stars. This star was one of the targets in the HST Treasury Program Advanced Spectral Library II: Hot Stars (ASTRAL II) that produced uninterrupted spectra of high to medium resolution in the region 1150-3100 Å. The abundances for the Fe group elements (Ti, V, Cr, Mn, Fe, Co, & Ni) in ι Her were determined mostly from STIS E140H and E230H (resolving power of 114,000) observations. Measurable lines from the Fe group, except for a very few multiplets of Fe II, III are not found in optical spectra. Whereas the light elements are delivered to the ISM by core-collapse supernovae (CCSNe), the Fe group elements are believed to come mostly from low/intermediate mass binaries containing white dwarfs that undergo SNe Ia explosions. A single SNe Ia can deliver 0.5 solar masses of pure Fe (and maybe Mn) to the ISM compared with about 0.07 solar masses from a CCSNe. The HST/STIS data were supplemented with optical spectra obtained at the Dominion Astrophysical Observatory (resolving power about 60,000). The abundance analysis was carried through with the NLTE code TLUSTY/SYNSPEC (Hubeny & Lanz, ApJ, 439,875,1995). The model parameters adopted for the ι Her are Teff = 17750 ± 250 K, log g = 3.75 ± 0.05 dex, Vturb = 0 km s-1, and v sin i = 5 km s-1. Solar abundances appear to prevail for the lighter elements but the abundances of Fe group elements are 0.3 - 0.7 dex below solar values determined by Grevesse et al. (2010, Ap&SpSci, 328, 179). It appears that ι Her was formed in a region our Galaxy mostly enriched by CCSNe.The authors appreciate support from STScI grants HST-GO-09848 and HST-GO-13346. SJA was a guest observer at DAO.

  17. Topological phase transitions in group IV-VI semiconductors by phonons

    NASA Astrophysics Data System (ADS)

    Kim, Jinwoong; Jhi, Seung-Hoon

    2015-09-01

    The topological insulator has an intriguing electronic structure in that it has nontrivial topology enforcing the helical Dirac fermionic states at interfaces to the band insulators. Protected by the time-reversal symmetry and finite band gaps in the bulk, the topology is immune to external nonmagnetic perturbations. One essential question is whether elementary excitations in solids like phonons can trigger a transition in the topological property of the electronic structures. Here we investigate the development of topological insulating phases in IV-VI compounds under dynamic lattice deformations using first-principles calculations. Unlike the static state of topological phases at equilibrium conditions, we show that nontrivial topological phases are induced in the compounds by the dynamic lattice deformations from selective phonon modes. Calculations of the time-reversal polarization show that the Z2 invariant of the compounds is flipped by the selective phonon modes and that the compounds exhibit oscillating topological phases upon dynamic lattice deformations.

  18. An Item Response Theory Analysis of DSM–IV Personality Disorder Criteria Across Younger and Older Age Groups

    PubMed Central

    Balsis, Steve; Gleason, Marci E. J.; Woods, Carol M.; Oltmanns, Thomas F.

    2015-01-01

    Many of the Diagnostic and Statistical Manual of Mental Disorders, 4th edition (DSM–IV; American Psychiatric Association, 1994) personality disorder (PD) diagnostic criteria focus on a younger social and occupational context. The absence of age-appropriate criteria for older adults forces researchers and clinicians to draw conclusions based on existing criteria, which are likely inadequate. To explore which DSM–IV PD criteria contain age group measurement bias, the authors report 2 analyses of data on nearly 37,000 participants, ages 18–98 years, taken from a public data set that includes 7 of the 10 PDs (antisocial, avoidant, dependent, histrionic, obsessive–compulsive, paranoid, and schizoid). The 1st analysis revealed that older age groups tend to endorse fewer PD criteria than younger age groups. The 2nd analysis revealed that 29% of the criteria contain measurement bias. Although the latent variable structure for each PD was quite similar across younger and older age groups, some individual criteria were differentially endorsed by younger and older adults with equivalent PD pathology. The presence of measurement bias for these criteria raises questions concerning the assessment of PDs in older adults and the interpretation of existing data. PMID:17385993

  19. Holistic medicine IV: principles of existential holistic group therapy and the holistic process of healing in a group setting.

    PubMed

    Ventegodt, Søren; Andersen, Niels Jørgen; Merrick, Joav

    2003-12-23

    In existential holistic group therapy, the whole person heals in accordance with the holistic process theory and the life mission theory. Existential group psychotherapy addresses the emotional aspect of the human mind related to death, freedom, isolation, and meaninglessness, while existential holistic group therapy addresses the state of the person"s wholeness. This includes the body, the person's philosophy of life, and often also love, purpose of life, and the spiritual dimension, to the same extent as it addresses the emotional psyche and sexuality, and it is thus much broader than traditional psychotherapy. Where existential psychotherapy is rather depressing concerning the fundamental human condition, existential holistic therapy conceives life to be basically good. The fundamentals in existential holistic therapy are that everybody has the potential for healing themselves to become loving, joyful, sexually attractive, strong, and gifted, which is a message that most patients welcome. While the patient is suffering and fighting to get through life, the most important job for the holistic therapist is to keep a positive perspective of life. In accordance with these fundamentals, many participants in holistic group therapy will have positive emotional experiences, often of an unknown intensity, and these experiences appear to transform their lives within only a few days or weeks of therapy. An important idea of the course is Bohm's concept of "holo-movement" in the group, resulting from intense coherence between the group members. When the group comes together, the individual will be linked to the totality and the great movement forward towards love, consciousness, and happiness will happen collectively--if it happens at all. This gives the individual the feeling that everything that happens is right, important, and valuable for all the participants at the same time. Native Americans and other premodern people refer to this experience as "the spiritual design

  20. Development of a tertiary-structure model of the C-terminal domain of DPP IV.

    PubMed

    Brandt, W

    2000-01-01

    Based on the recently published structure of prolyl oligopeptidase (POP) a model of the C-terminal part of dipeptidyl peptidase IV (DPP IV) which contains the active site has been developed. The structure of the model of DPP IV shows considerable similarity to the structure of POP particularly in the active site. A hydrophobic pocket (Tyr666, Tyr670, Tyr 631, Val556) forms the S1-binding site for recognition of proline. Tyr547 may stabilise the oxyanion formed in the tetrahedral intermediates by a strong hydrogen bond. The positively charged N-terminus of ligands of DPP IV is recognised by forming a salt bridge with the acidic side chain Glu668. A second hydrophobic pocket (S2' to S5') may represent an important binding site for HIV-1 Tat-protein derivatives, chemokines and others.

  1. Hydroxypyridinonate complex stability of group (IV) metals and tetravalent f-block elements: the key to the next generation of chelating agents for radiopharmaceuticals.

    PubMed

    Sturzbecher-Hoehne, Manuel; Choi, Taylor A; Abergel, Rebecca J

    2015-04-06

    The solution thermodynamics of the water-soluble complexes formed between 3,4,3-LI(1,2-HOPO) and Zr(IV) or Pu(IV) were investigated to establish the metal coordination properties of this octadentate chelating agent. Stability constants log β110 = 43.1 ± 0.6 and 43.5 ± 0.7 were determined for [Zr(IV)(3,4,3-LI(1,2-HOPO))] and [Pu(IV)(3,4,3-LI(1,2-HOPO))], respectively, by spectrophotometric competition titrations against Ce(IV). Such high thermodynamic stabilities not only confirm the unparalleled Pu(IV) affinity of 3,4,3-LI(1,2-HOPO) as a decorporation agent but also corroborate the great potential of hydroxypyridinonate ligands as new (89)Zr-chelating platforms for immuno-PET applications. These experimental values are in excellent agreement with previous estimates and are discussed with respect to ionic radius and electronic configuration, in comparison with those of Ce(IV) and Th(IV). Furthermore, a liquid chromatography assay combined with mass spectrometric detection was developed to probe the separation of the neutral [M(IV)(3,4,3-LI(1,2-HOPO))] complex species (M = Zr, Ce, Th, and Pu), providing additional insight into the coordination differences between group IV and tetravalent f-block metals and on the role of d and f orbitals in bonding interactions.

  2. Consistent Multigroup Theory Enabling Accurate Course-Group Simulation of Gen IV Reactors

    SciTech Connect

    Rahnema, Farzad; Haghighat, Alireza; Ougouag, Abderrafi

    2013-11-29

    The objective of this proposal is the development of a consistent multi-group theory that accurately accounts for the energy-angle coupling associated with collapsed-group cross sections. This will allow for coarse-group transport and diffusion theory calculations that exhibit continuous energy accuracy and implicitly treat cross- section resonances. This is of particular importance when considering the highly heterogeneous and optically thin reactor designs within the Next Generation Nuclear Plant (NGNP) framework. In such reactors, ignoring the influence of anisotropy in the angular flux on the collapsed cross section, especially at the interface between core and reflector near which control rods are located, results in inaccurate estimates of the rod worth, a serious safety concern. The scope of this project will include the development and verification of a new multi-group theory enabling high-fidelity transport and diffusion calculations in coarse groups, as well as a methodology for the implementation of this method in existing codes. This will allow for a higher accuracy solution of reactor problems while using fewer groups and will reduce the computational expense. The proposed research represents a fundamental advancement in the understanding and improvement of multi- group theory for reactor analysis.

  3. Physical activity levels during phase IV cardiac rehabilitation in a group of male myocardial infarction patients

    PubMed Central

    Woolf-May, K; Bird, S; MacIntyre, P

    2005-01-01

    Objective: To determine physical activity levels during phase IV cardiac rehabilitation in 31 male myocardial infarction patients (median age 62, range 53–77 years). Methods: Patients recorded daily physical activity over 16 weeks in a diary. Diaries were analysed for total general physical activity (TGPA), leisure time physical activity (LTPA), and "active for life" exercise classes (AFL). Pre- and post-observation period (OP) subjects underwent a 10 m shuttle walking test (SWT) to determine changes in aerobic fitness. Rate of perceived exertion (RPE) determined exercise intensity. Estimated gross energy expenditure (EEE) was determined by a regression equation between RPE and Vo2 (l min–1) during SWT. A total of 97% of subjects were on lipid lowering medication. Results: There were no correlations between Vo2 (l min–1) and body mass, therefore kcal min–1 indicated activity intensity. There were no significant changes in physical activity patterns or in aerobic fitness. Estimated total LTPA (median 1376, range 128–3380 kcal week–1) was less than that recommended to improve aerobic fitness and/or slow progression of coronary artery disease. Sixteen subjects attended a median of 29 (range 1–46) AFL during LTPA; one way ANOVA showed these subjects worked at greater EEE (AFL, n = 16, 6.6 (standard deviation 1.4) v no-AFL, n = 15, 5.1 (1.8) EEE kcal min–1, p = 0.017). Conclusion: Physical activity was stable, but patients' EEE appeared insufficient to improve aerobic fitness or slow progression of coronary artery disease. It was suggested that the promotion of LTPA and the availability of AFL classes should be reconsidered. PMID:15728680

  4. Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS

    SciTech Connect

    Fei, Ruixiang; Yang, Li; Li, Wenbin; Li, Ju

    2015-10-26

    We predict enormous, anisotropic piezoelectric effects in intrinsic monolayer group IV monochalcogenides (MX, M=Sn or Ge, X=Se or S), including SnSe, SnS, GeSe, and GeS. Using first-principle simulations based on the modern theory of polarization, we find that their piezoelectric coefficients are about one to two orders of magnitude larger than those of other 2D materials, such as MoS{sub 2} and GaSe, and bulk quartz and AlN which are widely used in industry. This enhancement is a result of the unique “puckered” C{sub 2v} symmetry and electronic structure of monolayer group IV monochalcogenides. Given the achieved experimental advances in the fabrication of monolayers, their flexible character, and ability to withstand enormous strain, these 2D structures with giant piezoelectric effects may be promising for a broad range of applications such as nano-sized sensors, piezotronics, and energy harvesting in portable electronic devices.

  5. Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS

    NASA Astrophysics Data System (ADS)

    Fei, Ruixiang; Li, Wenbin; Li, Ju; Yang, Li

    2015-10-01

    We predict enormous, anisotropic piezoelectric effects in intrinsic monolayer group IV monochalcogenides (MX, M=Sn or Ge, X=Se or S), including SnSe, SnS, GeSe, and GeS. Using first-principle simulations based on the modern theory of polarization, we find that their piezoelectric coefficients are about one to two orders of magnitude larger than those of other 2D materials, such as MoS2 and GaSe, and bulk quartz and AlN which are widely used in industry. This enhancement is a result of the unique "puckered" C2v symmetry and electronic structure of monolayer group IV monochalcogenides. Given the achieved experimental advances in the fabrication of monolayers, their flexible character, and ability to withstand enormous strain, these 2D structures with giant piezoelectric effects may be promising for a broad range of applications such as nano-sized sensors, piezotronics, and energy harvesting in portable electronic devices.

  6. MOVES Model Review Work Group

    EPA Pesticide Factsheets

    The FACA MOVES Review Work Group was formed under the Mobile Sources Technical Review Subcommittee (MSTRS), and is charged to provide input to EPA via the MSTRS and the Clean Air Act Advisory Committee on specific issues regarding MOVES development.

  7. Group III/IV muscle afferents limit the intramuscular metabolic perturbation during whole body exercise in humans

    PubMed Central

    Mangum, Tyler S.; Sidhu, Simranjit K.; Weavil, Joshua C.; Hureau, Thomas J.; Jessop, Jacob E.; Bledsoe, Amber D.; Richardson, Russell S.; Amann, Markus

    2016-01-01

    Key points The purpose of this study was to determine the role of group III/IV muscle afferents in limiting the endurance exercise‐induced metabolic perturbation assayed in muscle biopsy samples taken from locomotor muscle.Lumbar intrathecal fentanyl was used to attenuate the central projection of μ‐opioid receptor‐sensitive locomotor muscle afferents during a 5 km cycling time trial.The findings suggest that the central projection of group III/IV muscle afferent feedback constrains voluntary neural ‘drive’ to working locomotor muscle and limits the exercise‐induced intramuscular metabolic perturbation.Therefore, the CNS might regulate the degree of metabolic perturbation within locomotor muscle and thereby limit peripheral fatigue. It appears that the group III/IV muscle afferents are an important neural link in this regulatory mechanism, which probably serves to protect locomotor muscle from the potentially severe functional impairment as a consequence of severe intramuscular metabolic disturbance. Abstract To investigate the role of metabo‐ and mechanosensitive group III/IV muscle afferents in limiting the intramuscular metabolic perturbation during whole body endurance exercise, eight subjects performed 5 km cycling time trials under control conditions (CTRL) and with lumbar intrathecal fentanyl impairing lower limb muscle afferent feedback (FENT). Vastus lateralis muscle biopsies were obtained before and immediately after exercise. Motoneuronal output was estimated through vastus lateralis surface electromyography (EMG). Exercise‐induced changes in intramuscular metabolites were determined using liquid and gas chromatography‐mass spectrometry. Quadriceps fatigue was quantified by pre‐ to post‐exercise changes in potentiated quadriceps twitch torque (ΔQTsingle) evoked by electrical femoral nerve stimulation. Although motoneuronal output was 21 ± 12% higher during FENT compared to CTRL (P < 0.05), time to complete the time trial

  8. Variable responses to CO2 of the duration of vegetative growth within maturity group IV soybeans

    USDA-ARS?s Scientific Manuscript database

    Prior experiments in indoor chambers and in the field using free-air carbon dioxide enrichment (FACE) systems indicated variation among soybean cultivars in whether and how much elevated CO2 prolonged vegetative development. However, the cultivars tested differed in maturity group, and it is not kn...

  9. Genetic improvement of U.S. soybean in Maturity Groups II, III, and IV

    USDA-ARS?s Scientific Manuscript database

    Soybean [Glycine max (L.) Merr.] improvement via plant breeding has been critical for the success of the crop. The objective of this study was to quantify genetic change in yield and other traits that occurred over the past 80 years of North American soybean breeding in maturity groups (MGs) II, III...

  10. Compact groups in theory and practice - IV. The connection to large-scale structure

    NASA Astrophysics Data System (ADS)

    Mendel, J. Trevor; Ellison, Sara L.; Simard, Luc; Patton, David R.; McConnachie, Alan W.

    2011-12-01

    We investigate the properties of photometrically selected compact groups (CGs) in the Sloan Digital Sky Survey. In this paper, the fourth in a series, we focus on understanding the characteristics of our observed CG sample with particular attention paid to quantifying and removing contamination from projected foreground or background galaxies. Based on a simple comparison of pairwise redshift likelihoods, we find that approximately half of CGs in the parent sample contain one or more projected (interloping) members; our final clean sample contains 4566 galaxies in 1086 CGs. We show that half of the remaining CGs are associated with rich groups (or clusters), i.e. they are embedded sub-structure. The other half have spatial distributions and number-density profiles consistent with the interpretation that they are either independently distributed structures within the field (i.e. they are isolated) or associated with relatively poor structures. Comparisons of late-type and red-sequence fractions in radial annuli show that galaxies around apparently isolated CGs resemble the field population by 300 to 500 kpc from the group centre. In contrast, the galaxy population surrounding embedded CGs appears to remain distinct from the field out beyond 1 to 2 Mpc, consistent with results for rich groups. We take this as additional evidence that the observed distinction between CGs, i.e. isolated versus embedded, is a separation between different host environments.

  11. LBRIG Newsletter (Newsletter of the Language by Radio Interest Group). Vol. IV, No. 1.

    ERIC Educational Resources Information Center

    Garfinkel, Alan, Ed.; And Others

    The Language by Radio Interest Group (LBRIG) Newsletter, volume 4, number 1, opens with an appeal to subscribers to contribute articles, reports, notes etc. The annual ACTFL workshop held on 29 Nov. 1975 is then described. It features a report by Dolores Zesiger, instructor in Spanish at Logan (Ohio) High School, on the interesting use of local…

  12. Work group IV: Future directions for measures of the food and physical activity environments.

    PubMed

    Story, Mary; Giles-Corti, Billie; Yaroch, Amy Lazarus; Cummins, Steven; Frank, Lawrence Douglas; Huang, Terry T-K; Lewis, LaVonna Blair

    2009-04-01

    Much progress has been made in the past 5 to 10 years in measuring and understanding the impact of the food and physical activity environments on behavioral outcomes. Nevertheless, this research is in its infancy. A work group was convened to identify current evidence gaps and barriers in food and physical activity environments and policy research measures, and develop recommendations to guide future directions for measurement and methodologic research efforts. A nominal group process was used to determine six priority areas for food and physical activity environments and policy measures to move the field forward by 2015, including: (1) identify relevant factors in the food and physical activity environments to measure, including those most amenable to change; (2) improve understanding of mechanisms for relationships between the environment and physical activity, diet, and obesity; (3) develop simplified measures that are sensitive to change, valid for different population groups and settings, and responsive to changing trends; (4) evaluate natural experiments to improve understanding of food and physical activity environments and their impact on behaviors and weight; (5) establish surveillance systems to predict and track change over time; and (6) develop standards for adopting effective health-promoting changes to the food and physical activity environments. The recommendations emanating from the work group highlight actions required to advance policy-relevant research related to food and physical activity environments.

  13. Corrosion Resistance of Nanopowders of Borides and Carbides of IV-VIB Group Metals in the Nickeling Electrolytes

    NASA Astrophysics Data System (ADS)

    Shakhnin, Dmytro; Malyshev, Viktor; Kuschevskaya, Nina; Gab, Angelina

    2017-07-01

    The corrosion resistance of nanopowders of borides and carbides of metals of IV-VIB groups, as well as of silicon carbide, was studied in the standard nickeling electrolytes. As objects of study, nanopowders with the content of the main phase 91.8-97.6% and with the average particle size 32-78 nm were used. Their corrosion resistance was evaluated depending on the acidity of the electrolyte, temperature, and duration of the interaction. It was found that, by the corrosion resistance in the electrolytes solutions, nanopowders of borides and carbides within each group of compounds are similar and characterized by unlimited period of induction in alkaline media. An exception is the nanopowder of silicon carbide which is resistant to the solution of any acidity.

  14. Fossil group origins. IV. Characterization of the sample and observational properties of fossil systems

    NASA Astrophysics Data System (ADS)

    Zarattini, S.; Barrena, R.; Girardi, M.; Castro-Rodriguez, N.; Boschin, W.; Aguerri, J. A. L.; Méndez-Abreu, J.; Sánchez-Janssen, R.; Catalán-Torrecilla, C.; Corsini, E. M.; del Burgo, C.; D'Onghia, E.; Herrera-Ruiz, N.; Iglesias-Páramo, J.; Jimenez Bailon, E.; Lozada Muoz, M.; Napolitano, N.; Vilchez, J. M.

    2014-05-01

    Context. Virialized halos grow by the accretion of smaller ones in the cold dark matter scenario. The rate of accretion depends on the different properties of the host halo. Those halos for which this accretion rate was very fast and efficient resulted in systems dominated by a central galaxy surrounded by smaller galaxies that were at least two magnitudes fainter. These galaxy systems are called fossil systems, and they can be the fossil relics of ancient galaxy structures. Aims: We started an extensive observational program to characterize a sample of 34 fossil group candidates spanning a broad range of physical properties. Methods: Deep r-band images were obtained with the 2.5-m Isaac Newton Telescope and Nordic Optic Telescope. Optical spectroscopic observations were performed at the 3.5-m Telescopio Nazionale Galileo for ~1200 galaxies. This new dataset was completed with Sloan Digital Sky Survey Data Release 7 archival data to obtain robust cluster membership and global properties of each fossil group candidate. For each system, we recomputed the magnitude gaps between the two brightest galaxies (Δm12) and the first and fourth ranked galaxies (Δm14) within 0.5 R200. We consider fossil systems to be those with Δm12 ≥ 2 mag or Δm14 ≥ 2.5 mag within the errors. Results: We find that 15 candidates turned out to be fossil systems. Their observational properties agree with those of non-fossil systems. Both follow the same correlations, but the fossil systems are always extreme cases. In particular, they host the brightest central galaxies, and the fraction of total galaxy light enclosed in the brightest group galaxy is larger in fossil than in non-fossil systems. Finally, we confirm the existence of genuine fossil clusters. Conclusions: Combining our results with others in the literature, we favor the merging scenario in which fossil systems formed from mergers of L∗ galaxies. The large magnitude gap is a consequence of the extreme merger ratio within

  15. Disordered electronic and magnetic systems - Transition metal (manganese) and rare earth (gadolinium) doped amorphous group IV semiconductors (carbon, silicon, germanium)

    NASA Astrophysics Data System (ADS)

    Zeng, Li

    2007-12-01

    While the physics of electrical doping of semiconductors has been well understood for decades, magnetic doping and the interactions between the carriers and the magnetic moments in semiconductors are still under active investigation for various applications, such as spintronics and quantum computing. Our systematic studies on transition-metal-doped (TM-doped) and rare-earth-doped (RE-doped) amorphous group IV elemental semiconductors provide unique insight into the rich physics of this type of materials. Our model system is the e-beam coevaporated a-GdxSi1-x films. Magnetron cosputtered a-GdxSi 1-x films, despite having very different film morphology at the 10-nm scale from the e-beam coevaporated films, are demonstrated to possess almost the same physical properties. Cosputtered a-GdxC1-x (:Hy) and Gd ion-implanted ta-C (ta-C1-x:Gd x) films are studied for Gd in different a-C matrices with different sp2/sp 3 ratio. All doped a-C films are on the insulating side of the metal-insulator transition. Very similar to a-Gd xSi1-x films, Gd possesses a large magnetic moment in a-C. The moment-moment and moment-carrier interactions lead to a spin-glass ground state and large negative magnetoresistance (MR) below a crossover temperature T' in both a-Gd xC1-x<(:Hy) and ta-C1-x:Gdx films. A small positive MR is found above T'. Transition metal Mn has always been believed to possess a large local moment in Si or Ge. However, e-beam coevaporated a-MnxSi1-x films are found to show a quenched local moment for Mn concentration as low as x=0.005 and up to x=0.175. All films are purely paramagnetic and have very small saturation moments. Unlike Gd, which provides both carriers and local moment, Mn only provides electrical carriers in a-Si. These results suggest an itinerant non-magnetic Mn states in a-Si; the insulating behavior is a result of the strong structural disorder. This quenching of the local Mn moment has not been predicted by any existing theory. Consistent with the

  16. IGORR-IV -- Proceedings of the fourth meeting of the International Group on Research Reactors

    SciTech Connect

    Rosenbalm, K.F.

    1995-12-31

    The International Group on Research Reactors was formed to facilitate the sharing of knowledge and experience among those institutions and individuals who are actively working to design, build, and promote new research reactors or to make significant upgrades to existing facilities. Twenty-nine papers were presented in five sessions and written versions of the papers or hard copies of the vugraphs used are published in these proceedings. The five sessions were: (1) Operating Research Reactors and Facility Upgrades; (2) Research Reactors in Design and Construction; (3) ANS Closeout Activities; (4) and (5) Research, Development, and Analysis Results.

  17. Long range ordered alloys modified by group IV-B metals

    DOEpatents

    Liu, Chain T.; Inouye, Henry; Schaffhauser, Anthony C.

    1983-01-01

    Ductile long range ordered alloys having high critical ordering temperatures exist in the (V,M)(Fe,Ni,Co).sub.3 system having the composition comprising by weight 20.6%-22.6% V, 14-50% Fe, 0-64% Co, and 0-40% Ni, and 0.4-1.4% M, where M is a metal selected from the group consisting of Ti, Zr, Hf, and their mixtures. These modified alloys have an electron density no greater than 8.00 and exhibit marked increases at elevated temperature in ductility and other mechanical properties over previously known ordered alloys.

  18. Structural modeling of iron halogenases: synthesis and reactivity of halide-iron(IV)-oxo compounds.

    PubMed

    Planas, Oriol; Clémancey, Martin; Latour, Jean-Marc; Company, Anna; Costas, Miquel

    2014-09-25

    A structural synthetic model of the iron(IV)-oxo-halide active species of non-heme iron dependent halogenases is reported. Compounds with general formula [Fe(IV)(O)(X)(Pytacn)](+) (1-X, X = Cl, Br) have been prepared and characterized spectroscopically and chemically with regard to their oxidizing ability. 1-X performs hydrogen-atom abstraction of C-H bonds at reaction rates 2-3 times faster than the corresponding solvato dicationic species, thus modelling the first step in C-H functionalization taking place in natural halogenation.

  19. Viridans Group Streptococci Are Donors in Horizontal Transfer of Topoisomerase IV Genes to Streptococcus pneumoniae

    PubMed Central

    Balsalobre, Luz; Ferrándiz, María José; Liñares, Josefina; Tubau, Fe; de la Campa, Adela G.

    2003-01-01

    A total of 46 ciprofloxacin-resistant (Cipr) Streptococcus pneumoniae strains were isolated from 1991 to 2001 at the Hospital of Bellvitge. Five of these strains showed unexpectedly high rates of nucleotide variations in the quinolone resistance-determining regions (QRDRs) of their parC, parE, and gyrA genes. The nucleotide sequence of the full-length parC, parE, and gyrA genes of one of these isolates revealed a mosaic structure compatible with an interspecific recombination origin. Southern blot analysis and nucleotide sequence determinations showed the presence of an ant-like gene in the intergenic parE-parC regions of the S. pneumoniae Cipr isolates with high rates of variations in their parE and parC QRDRs. The ant-like gene was absent from typical S. pneumoniae strains, whereas it was present in the intergenic parE-parC regions of the viridans group streptococci (Streptococcus mitis and Streptococcus oralis). These results suggest that the viridans group streptococci are acting as donors in the horizontal transfer of fluoroquinolone resistance genes to S. pneumoniae. PMID:12821449

  20. Viridans group streptococci are donors in horizontal transfer of topoisomerase IV genes to Streptococcus pneumoniae.

    PubMed

    Balsalobre, Luz; Ferrándiz, María José; Liñares, Josefina; Tubau, Fe; de la Campa, Adela G

    2003-07-01

    A total of 46 ciprofloxacin-resistant (Cip(r)) Streptococcus pneumoniae strains were isolated from 1991 to 2001 at the Hospital of Bellvitge. Five of these strains showed unexpectedly high rates of nucleotide variations in the quinolone resistance-determining regions (QRDRs) of their parC, parE, and gyrA genes. The nucleotide sequence of the full-length parC, parE, and gyrA genes of one of these isolates revealed a mosaic structure compatible with an interspecific recombination origin. Southern blot analysis and nucleotide sequence determinations showed the presence of an ant-like gene in the intergenic parE-parC regions of the S. pneumoniae Cip(r) isolates with high rates of variations in their parE and parC QRDRs. The ant-like gene was absent from typical S. pneumoniae strains, whereas it was present in the intergenic parE-parC regions of the viridans group streptococci (Streptococcus mitis and Streptococcus oralis). These results suggest that the viridans group streptococci are acting as donors in the horizontal transfer of fluoroquinolone resistance genes to S. pneumoniae.

  1. Cell therapy modulates expression of Tax1-binding protein 1 and synaptotagmin IV in a model of optic nerve lesion.

    PubMed

    Mesentier-Louro, Louise A; Coronel, Juliana; Zaverucha-do-Valle, Camila; Mencalha, Andre; Paredes, Bruno D; Abdelhay, Eliana; Mendez-Otero, Rosalia; Santiago, Marcelo F

    2012-07-12

    Bone marrow mononuclear cells (BMMCs) have been used with considerable success to improve regeneration and/or functional recovery in animal models of neurologic diseases. Injected into the host, they migrate to the damaged areas and release cytokines and/or trophic factors, which are capable of altering the genetic program of the injured tissue cells. In this study, there was a search for genes with altered expression in a model of optic nerve crush and cell therapy. Optic nerve crush was followed by an intravitreous injection of BMMCs or vehicle in adult rats. After 14 days, we obtained a transcriptome screening of the retinas using differential display and automatic sequencing, followed by q-PCR, Western blot, and immunohistochemistry of selected genes and proteins. Among the differentially displayed genes, transcription of the antiapoptotic Tax1-binding protein 1 (Tax1BP1) and Synaptotagmin IV (Syt IV), an immediate early gene, is increased in the treated group. Tax1BP1 expression is robust in the ganglion cell layer and is significantly increased by cell therapy. Syt IV is expressed by activated Müller cells and astrocytes in the retina and optic nerve, without changes in protein levels among the groups. Tax1BP1 and Syt IV transcription and/or expression are differently modulated by optic nerve crush and BMMC treatment, and might be related to neuronal damage and cell-therapy effects in the retina. The increased expression of Tax1BP1 in the treated eyes could be involved in the neuroprotective effects of BMMCs that were described previously by our group.

  2. Evaluation of cisplatin and DTIC in inoperable stage III and IV melanoma. A Southwest Oncology Group study.

    PubMed

    Fletcher, W S; Daniels, D S; Sondak, V K; Dana, B; Townsend, R; Hynes, H E; Hutchins, L F; Pancoast, J R

    1993-08-01

    The Southwest Oncology Group entered 62 patients with Stage IV or inoperable Stage III (one patient) melanoma into SWOG protocol 8804 and treated them with cisplatin 100 mg/m2 and DTIC 750 mg/m2 i.v. infusion over 15-30 minutes. There were 18 patients with brain metastases and four ocular primaries. Five patients, all without bain metastases, were ineligible. Responses of 8 patients could not be determined, and 11 patients received only one course of treatment. Of the eligible patients, 46 (81%) had some hematologic toxicities, with 31 of these (67%) having grade III or worse. There were 23 patients (40%) with renal toxicities. The miscellaneous toxicities were muscle weakness, flu-like symptoms, and fatigue. Five patients died while on treatment. There were no complete responses. Eight patients had partial responses ranging from 1.5 to 10.5 months, although two patients were still alive at 30.4 and 30.9 months. The estimated response rate for patients with brain metastases was 11%. The estimated response rate for patients without brain metastases was 13%. If one unconfirmed partial response is included, the overall response rate is 14% with a 95% confidence interval of 6% to 26%. It is concluded that DTIC and cisplatin have definite activity in melanoma, but, at least in this population, the toxicity is treatment-limiting and requires close attention to patient care.

  3. Time-dependent models of magnetic stars. IV - Perpendicular axes

    NASA Astrophysics Data System (ADS)

    Moss, David

    1987-05-01

    The evolution of large-scale initially axisymmetric fields immersed in middle main-sequence stellar models is followed in the case where the rotation axis and initial field axis are strictly perpendicular. The prediction that in this case the surface flux is never buried by the modified Eddington-Sweet circulation is verified, although mode-mixing may eventually reduce the strength of the dipolar field component. It appears that non-axisymmetric field components will grow over time-scales of 108yr or so. Effects of differing initial field geometries are discussed.

  4. Discovery of DPP IV inhibitors by pharmacophore modeling and QSAR analysis followed by in silico screening.

    PubMed

    Al-Masri, Ihab M; Mohammad, Mohammad K; Taha, Mutasem O

    2008-11-01

    Dipeptidyl peptidase IV (DPP IV) deactivates the natural hypoglycemic incretin hormones. Inhibition of this enzyme should restore glucose homeostasis in diabetic patients making it an attractive target for the development of new antidiabetic drugs. With this in mind, the pharmacophoric space of DPP IV was explored using a set of 358 known inhibitors. Thereafter, genetic algorithm and multiple linear regression analysis were employed to select an optimal combination of pharmacophoric models and physicochemical descriptors that yield selfconsistent and predictive quantitative structure-activity relationships (QSAR) (r(2) (287)=0.74, F-statistic=44.5, r(2) (BS)=0.74, r(2) (LOO)=0.69, r(2) (PRESS) against 71 external testing inhibitors=0.51). Two orthogonal pharmacophores (of cross-correlation r(2)=0.23) emerged in the QSAR equation suggesting the existence of at least two distinct binding modes accessible to ligands within the DPP IV binding pocket. Docking experiments supported the binding modes suggested by QSAR/pharmacophore analyses. The validity of the QSAR equation and the associated pharmacophore models were established by the identification of new low-micromolar anti-DPP IV leads retrieved by in silico screening. One of our interesting potent anti-DPP IV hits is the fluoroquinolone gemifloxacin (IC(50)=1.12 muM). The fact that gemifloxacin was recently reported to potently inhibit the prodiabetic target glycogen synthase kinase 3beta (GSK-3beta) suggests that gemifloxacin is an excellent lead for the development of novel dual antidiabetic inhibitors against DPP IV and GSK-3beta.

  5. Tidal Downsizing model - IV. Destructive feedback in planets

    NASA Astrophysics Data System (ADS)

    Nayakshin, Sergei

    2016-09-01

    The role of negative feedback from a massive solid core on its massive gas envelope in the Tidal Downsizing scenario of planet formation is investigated via one-dimensional planet evolution models followed by population synthesis calculations. It is shown that cores more massive than ˜10 M⊕ release enough energy to reverse contraction of their parent gas envelopes, culminating in their destruction. This process may help to explain why observed gas giant planets are so rare, why massive cores are so ubiquitous, and why there is a sharp rollover in the core mass function above ˜20 M⊕. Additionally, the short time-scales with which these massive cores are assembled in TD may help explain formation route of Uranus, Neptune and the suspected HL Tau planets. Given the negative role of cores in assembly of gas giants in the model, an antimony is found between massive cores and gas giants: cores in survived gas giant planets are on average less massive than cores free of massive envelopes. In rare circumstances when core feedback self-regulates, extremely metal-rich gas giants, such as CoRoT-20b, a gas giant made of heavy elements by up to ˜50 per cent, can be made.

  6. Planetary nebulae as standard candles. IV - A test in the Leo I group

    NASA Technical Reports Server (NTRS)

    Ciardullo, Robin; Jacoby, George H.; Ford, Holland C.

    1989-01-01

    In this paper, PN are used to determine accurate distances to three galaxies in the Leo I group - The E0 giant elliptical NGC 3379, its optical companion, the SB0 spiral NGC 3384, and the smaller E6 elliptical NGC 3377. In all three galaxies, the luminosity-specific PN number densities are roughly the same, and the derived stellar death rates are in remarkable agreement with the predictions of stellar evolution theory. It is shown that the shape of the forbidden O III 5007 A PN luminosity function is the same in each galaxy and indistinguishable from that observed in M31 and M81. It is concluded that the PN luminosity function is an excellent standard candle for early-type galaxies.

  7. Planetary nebulae as standard candles. IV - A test in the Leo I group

    NASA Technical Reports Server (NTRS)

    Ciardullo, Robin; Jacoby, George H.; Ford, Holland C.

    1989-01-01

    In this paper, PN are used to determine accurate distances to three galaxies in the Leo I group - The E0 giant elliptical NGC 3379, its optical companion, the SB0 spiral NGC 3384, and the smaller E6 elliptical NGC 3377. In all three galaxies, the luminosity-specific PN number densities are roughly the same, and the derived stellar death rates are in remarkable agreement with the predictions of stellar evolution theory. It is shown that the shape of the forbidden O III 5007 A PN luminosity function is the same in each galaxy and indistinguishable from that observed in M31 and M81. It is concluded that the PN luminosity function is an excellent standard candle for early-type galaxies.

  8. "Group IV Nanomembranes, Nanoribbons, and Quantum Dots: Processing, Characterization, and Novel Devices"

    SciTech Connect

    liu, feng

    2014-08-28

    This theoretical project has been carried out in close interaction with the experimental project at UW-Madison under the same title led by PI Max Lagally and co-PI Mark Eriksson. Extensive computational studies have been performed to address a broad range of topics from atomic structure, stability, mechanical property, to electronic structure, optoelectronic and transport properties of various nanoarchitectures in the context of Si and other solid nanomembranes. These have been done by using combinations of different theoretical and computational approaches, ranging from first-principles calculations and molecular dynamics (MD) simulations to finite-element (FE) analyses and continuum modeling.

  9. Phase Stability under Irradiation of Precipitates and Solid Solutions in Model ALloys and in ODS Alloys Relevant for Gen IV

    SciTech Connect

    Arthur T. Motta; Robert C. Birtcher

    2007-10-17

    The overall objective of this program is to investigate the irradiation-altered phase stability of oxide precipitates in ODS steels and of model alloy solid solutions of associated systems. This information can be used to determine whether the favorable mechanical propertiies of these steels are maintained under irradiation, thus addressing one of the main materials research issues for this class of steels as identified by the GenIV working groups. The research program will also create fundamental understanding of the irradiation precipitation/dissolution problem by studying a "model" system in which the variables can be controlled and their effects understood individually.

  10. Pulsed laser-induced epitaxy and precipitation of group IV alloys

    NASA Astrophysics Data System (ADS)

    Kramer, Kenneth Michael

    Substitutional Sisb{1-x}Csb{x} solutions produced by pulsed laser induced epitaxy of ion implanted Si were studied in the concentration range from 0.35 to 3.8 at.% C. Films were formed by multiple energy ion implantation of carbon into \\{001\\} Si to produce nearly uniform composition profiles, followed by irradiation with a 308 nm, 30 ns excimer laser pulse. Heteroepitaxy proceeded from the underlying \\{001\\} Si through the carbon containing layer at approximately 4 m/s. The diffusion coefficient was determined as ˜2 × 10sp{-4} cmsp2 ssp{-1} by comparison of secondary-ion mass spectrometry (SIMS) profiles with numerical calculations. Non-equilibrium carbon segregation was observed with a segregation coefficient >0.4 estimated from the SIMS profiles. At 1.4 at.% C, SIMS profiles display an immobile carbon component at the peak carbon concentrations. Transmission electron microscopy (TEM) reveals an areal precipitate density of about 4 × 10sp9 cmsp{-2} at 1.4 at.% C, far less than necessary to account for the anomalous diffusion behavior. At 2.1 at.% C, randomly oriented SiC precipitates are identified with diameters ranging from 5 to 7 nm and areal densities of 6 × 10sp{11} cmsp{-2}. Layers with up to 2.1 at.% C are free of dislocations and stacking faults; at 3.8 at.% C both precipitates and dislocations were observed. Numerical calculations of heat and mass diffusion were combined with classical nucleation theory to model the SiC precipitation kinetics in Si-C solutions during laser annealing. Comparison of experimental observations with model calculations resulted in an estimate for the SiC-liquid surface energy between 0.53 to 0.56 J msp{-2}. The model predicts higher precipitate densities with decreasing pulse width and increasing laser energy density. A factor of 10 difference between calculated and TEM measured precipitate densities was found and sources of this discrepancy are discussed. Pulsed laser recrystallization and solid-phase epitaxy (SPE) of

  11. Comparative study of Sb bonding on group-IV semiconductor (001) substrates

    NASA Astrophysics Data System (ADS)

    Jenkins, S. J.; Srivastava, G. P.

    1997-10-01

    We present the results of ab initio pseudopotential density-functional calculations for the geometry and bonding of the Si(001)/Sb(2×1) and Ge(001)/Sb(2×1) surfaces. The Sb dimers are found to be symmetric, with bond lengths of 2.96 and 2.92 Å on the Si and Ge substrates, respectively. We thus concur with recent theoretical work, which concluded that the asymmetric Sb dimer model for the Ge substrate, favored by surface x-ray-diffraction studies, is incorrect. Furthermore, we calculate that the monolayer-averaged chemisorption energy of Sb on the Si substrate is 0.48 eV per dimer greater in magnitude than on the Ge substrate, and discuss the implications for surfactant-mediated growth.

  12. Clustering of Local Group Distances: Publication Bias or Correlated Measurements? IV. The Galactic Center

    NASA Astrophysics Data System (ADS)

    de Grijs, Richard; Bono, Giuseppe

    2016-11-01

    Aiming at deriving a statistically well-justified Galactic Center distance, R 0, and reducing any occurrence of publication bias, we compiled the most comprehensive and most complete database of Galactic Center distances available to date, containing 273 new or revised R 0 estimates published since records began in 1918 October until 2016 June. We separate our R 0 compilation into direct and indirect distance measurements. The latter include a large body of estimates that rely on centroid determinations for a range of tracer populations, as well as measurements based on kinematic observations of objects at the solar circle, combined with a mass and/or rotational model of the Milky Way. Careful assessment of the Galactic Center distances resulting from orbital modeling and statistical parallax measurements in the Galactic nucleus yields our final Galactic Center distance recommendation of {R}0=8.3+/- 0.2 {{(statistical)}}+/- 0.4 {{(systematic)}} {kpc}. The centroid-based distances are in good agreement with this recommendation. Neither the direct measurements nor the post-1990 centroid-based distance determinations suggest that publication bias may be important. The kinematics-based distance estimates are affected by significantly larger uncertainties, but they can be used to constrain the Galaxy’s rotation velocity at the solar galactocentric distance, {{{\\Theta }}}0. Our results imply that the International-Astronomical-Union-recommended Galactic Center distance ({R}0{IAU}=8.5 {kpc}) needs a downward adjustment, while its {{{\\Theta }}}0 recommendation ({{{\\Theta }}}0=220 km s-1) requires a substantial upward revision.

  13. Antiproliferative Pt(IV) complexes: synthesis, biological activity, and quantitative structure-activity relationship modeling.

    PubMed

    Gramatica, Paola; Papa, Ester; Luini, Mara; Monti, Elena; Gariboldi, Marzia B; Ravera, Mauro; Gabano, Elisabetta; Gaviglio, Luca; Osella, Domenico

    2010-09-01

    Several Pt(IV) complexes of the general formula [Pt(L)2(L')2(L'')2] [axial ligands L are Cl-, RCOO-, or OH-; equatorial ligands L' are two am(m)ine or one diamine; and equatorial ligands L'' are Cl- or glycolato] were rationally designed and synthesized in the attempt to develop a predictive quantitative structure-activity relationship (QSAR) model. Numerous theoretical molecular descriptors were used alongside physicochemical data (i.e., reduction peak potential, Ep, and partition coefficient, log Po/w) to obtain a validated QSAR between in vitro cytotoxicity (half maximal inhibitory concentrations, IC50, on A2780 ovarian and HCT116 colon carcinoma cell lines) and some features of Pt(IV) complexes. In the resulting best models, a lipophilic descriptor (log Po/w or the number of secondary sp3 carbon atoms) plus an electronic descriptor (Ep, the number of oxygen atoms, or the topological polar surface area expressed as the N,O polar contribution) is necessary for modeling, supporting the general finding that the biological behavior of Pt(IV) complexes can be rationalized on the basis of their cellular uptake, the Pt(IV)-->Pt(II) reduction, and the structure of the corresponding Pt(II) metabolites. Novel compounds were synthesized on the basis of their predicted cytotoxicity in the preliminary QSAR model, and were experimentally tested. A final QSAR model, based solely on theoretical molecular descriptors to ensure its general applicability, is proposed.

  14. Comparing personality disorder models: cross-method assessment of the FFM and DSM-IV-TR.

    PubMed

    Samuel, Douglas B; Widiger, Thomas W

    2010-12-01

    The current edition of the Diagnostic and Statistical Manual of Mental Disorders (DSM-IV-TR; American Psychiatric Association, 2000) defines personality disorders as categorical entities that are distinct from each other and from normal personality traits. However, many scientists now believe that personality disorders are best conceptualized using a dimensional model of traits that span normal and abnormal personality, such as the Five-Factor Model (FFM). However, if the FFM or any dimensional model is to be considered as a credible alternative to the current model, it must first demonstrate an increment in the validity of the assessment offered within a clinical setting. Thus, the current study extended previous research by comparing the convergent and discriminant validity of the current DSM-IV-TR model to the FFM across four assessment methodologies. Eighty-eight individuals receiving ongoing psychotherapy were assessed for the FFM and the DSM-IV-TR personality disorders using self-report, informant report, structured interview, and therapist ratings. The results indicated that the FFM had an appreciable advantage over the DSM-IV-TR in terms of discriminant validity and, at the domain level, convergent validity. Implications of the findings and directions for future research are discussed.

  15. Enhanced Telecom Emission from Single Group-IV Quantum Dots by Precise CMOS-Compatible Positioning in Photonic Crystal Cavities.

    PubMed

    Schatzl, Magdalena; Hackl, Florian; Glaser, Martin; Rauter, Patrick; Brehm, Moritz; Spindlberger, Lukas; Simbula, Angelica; Galli, Matteo; Fromherz, Thomas; Schäffler, Friedrich

    2017-03-15

    Efficient coupling to integrated high-quality-factor cavities is crucial for the employment of germanium quantum dot (QD) emitters in future monolithic silicon-based optoelectronic platforms. We report on strongly enhanced emission from single Ge QDs into L3 photonic crystal resonator (PCR) modes based on precise positioning of these dots at the maximum of the respective mode field energy density. Perfect site control of Ge QDs grown on prepatterned silicon-on-insulator substrates was exploited to fabricate in one processing run almost 300 PCRs containing single QDs in systematically varying positions within the cavities. Extensive photoluminescence studies on this cavity chip enable a direct evaluation of the position-dependent coupling efficiency between single dots and selected cavity modes. The experimental results demonstrate the great potential of the approach allowing CMOS-compatible parallel fabrication of arrays of spatially matched dot/cavity systems for group-IV-based data transfer or quantum optical systems in the telecom regime.

  16. Mössbauer parameters of Fe-related defects in group-IV semiconductors: First principles calculations

    SciTech Connect

    Wright, E.; Coutinho, J. Torres, V. J. B.; Öberg, S.

    2016-05-14

    We employ a combination of pseudopotential and all-electron density functional calculations, to relate the structure of defects in supercells to the isomer shifts and quadrupole splittings observed in Mössbauer spectroscopy experiments. The methodology is comprehensively reviewed and applied to the technologically relevant case of iron-related defects in silicon, and to other group-IV hosts to a lesser degree. Investigated defects include interstitial and substitutional iron, iron-boron pairs, iron-vacancy, and iron-divacancy. We find that, in general, agreement between the calculations and Mössbauer data is within a 10% error bar. Nonetheless, we show that the methodology can be used to make accurate assignments, including to separate peaks of similar defects in slightly different environments.

  17. Statistical I-V measurements of single-molecule junctions with an asymmetric anchoring group 1,4-aminobenzenethiol

    NASA Astrophysics Data System (ADS)

    Komoto, Yuki; Fujii, Shintaro; Kiguchi, Manabu

    2017-06-01

    Molecular diodes are an interesting topic in the field of single-molecule electronics. Rectification of molecules such as 1,4-aminobenzenethiol (ABT) having different contact areas was reported. However, a more statistical approach is necessary to clarify the rectification of the ABT single-molecule junctions. In this research, we statistically measured the single molecular conductance and I-V characteristics of ABT single-molecule junctions using the scanning tunneling microscope break junction (STM-BJ) method. Two single molecular conductances caused to difference of bridging geometries were observed in the conductance measurements. Statistically significant rectification was not observed for ABT junctions. We concluded rectification does not appear only due to the difference of two anchoring groups in case of a small conjugate molecule such as ABT. Invited talk at 8th International Workshop on Advanced Materials Science and Nanotechnology (IWAMSN2016), 8-12 November 2016, Ha Long City, Vietnam.

  18. Terahertz emission upon the band-to-band excitation of Group-IV semiconductors at room temperature

    SciTech Connect

    Zakhar’in, A. O.; Bobylev, A. V.; Egorov, S. V.; Andrianov, A. V.

    2015-03-15

    Terahertz emission upon the band-to-band excitation of Group-IV semiconductors (Si:B and Ge:Ga) at room temperature by a semiconductor laser emitting in the visible range (660 nm) is observed and investigated. It is established that, as the crystal temperature is elevated above room temperature, the emission intensity increases considerably, while the emission spectrum shifts to higher frequencies. The terahertz-emission spectra of germanium and silicon are quite similar to each other. The pump-intensity dependence of the terahertz-emission intensity is nearly linear. The above features make it possible to attribute the observed terahertz emission to the effect of crystal heating by absorbed pump radiation.

  19. The Ganikhodjaev Model of ABO Blood Groups

    NASA Astrophysics Data System (ADS)

    Saburov, Mansoor; Arshat, Mohd Saipuddin Bin

    2017-03-01

    In 2010, N. Ganikhodjaev proposed the models of ABO and Rh blood groups of Malaysian people. Based on some numerical simulations, it was showed that the evolution of ABO blood groups of Malaysian people has a unique stable equilibrium. In this paper, we analytically prove that the Ganikhodjaev model of ABO blood groups has a unique fixed point.

  20. Testing Structural Models of DSM-IV Symptoms of Common Forms of Child and Adolescent Psychopathology

    ERIC Educational Resources Information Center

    Lahey, Benjamin B.; Rathouz, Paul J.; Van Hulle, Carol; Urbano, Richard C.; Krueger, Robert F.; Applegate, Brooks; Garriock, Holly A.; Chapman, Derek A.; Waldman, Irwin D.

    2008-01-01

    Confirmatory factor analyses were conducted of "Diagnostic and Statistical Manual of Mental Disorders", Fourth Edition (DSM-IV) symptoms of common mental disorders derived from structured interviews of a representative sample of 4,049 twin children and adolescents and their adult caretakers. A dimensional model based on the assignment of symptoms…

  1. Testing Structural Models of DSM-IV Symptoms of Common Forms of Child and Adolescent Psychopathology

    ERIC Educational Resources Information Center

    Lahey, Benjamin B.; Rathouz, Paul J.; Van Hulle, Carol; Urbano, Richard C.; Krueger, Robert F.; Applegate, Brooks; Garriock, Holly A.; Chapman, Derek A.; Waldman, Irwin D.

    2008-01-01

    Confirmatory factor analyses were conducted of "Diagnostic and Statistical Manual of Mental Disorders", Fourth Edition (DSM-IV) symptoms of common mental disorders derived from structured interviews of a representative sample of 4,049 twin children and adolescents and their adult caretakers. A dimensional model based on the assignment of symptoms…

  2. Synthesis, structural characterization and antimicrobial activities of diorganotin(IV) complexes with azo-imino carboxylic acid ligand: Crystal structure and topological study of a doubly phenoxide-bridged dimeric dimethyltin(IV) complex appended with free carboxylic acid groups

    NASA Astrophysics Data System (ADS)

    Roy, Manojit; Roy, Subhadip; Devi, N. Manglembi; Singh, Ch. Brajakishor; Singh, Keisham Surjit

    2016-09-01

    Diorganotin(IV) complexes appended with free carboxylic acids were synthesized by reacting diorganotin(IV) dichlorides [R2SnCl2; R = Me (1), Bu (2) and Ph (3)] with an azo-imino carboxylic acid ligand i.e. 2-{4-hydroxy-3-[(2-hydroxyphenylimino)methyl]phenylazo}benzoic acid in presence of triethylamine. The complexes were characterized by elemental analysis, IR and multinuclear NMR (1H, 13C and 119Sn) spectroscopy. The structure of 1 in solid state has been determined by X-ray crystallography. Crystal structure of 1 reveals that the compound crystallizes in monoclinic space group P21/c and is a dimeric dimethyltin(IV) complex appended with free carboxylic acid groups. In the structure of 1, the Sn(IV) atoms are hexacoordinated and have a distorted octahedral coordination geometry in which two phenoxy oxygen atoms and the azomethine nitrogen atom of the ligand coordinate to each tin atom. One of the phenoxy oxygen atom bridges the two tin centers resulting in a planar Sn2O2 core. Topological analysis is used for the description of molecular packing in 1. Tin NMR spectroscopy study indicates that the complexes have five coordinate geometry around tin atom in solution state. Since the complexes have free carboxylic acids, these compounds could be further used as potential metallo-ligands for the synthesis of other complexes. The synthesized diorganotin(IV) complexes were also screened for their antimicrobial activities and compound 2 showed effective antimicrobial activities.

  3. Teaching Group Work: Modeling Group Leader and Member Behaviors in the Classroom to Demonstrate Group Theory

    ERIC Educational Resources Information Center

    Riva, Maria T.; Korinek, Lauri

    2004-01-01

    Training in group counseling typically includes an academic component, although little has been written about how to teach a group course except for what specific content should be included. This article suggests that while teaching group counseling courses, instructors can intentionally model effective group leader behaviors and use these…

  4. Teaching Group Work: Modeling Group Leader and Member Behaviors in the Classroom to Demonstrate Group Theory

    ERIC Educational Resources Information Center

    Riva, Maria T.; Korinek, Lauri

    2004-01-01

    Training in group counseling typically includes an academic component, although little has been written about how to teach a group course except for what specific content should be included. This article suggests that while teaching group counseling courses, instructors can intentionally model effective group leader behaviors and use these…

  5. Education as Experimentation: A Planned Variation Model. Volume IV-E. Supplementary Analyses: Reanalysis of Selected Data Sets. Volume IV-F. Supplementary Analyses: Appendix.

    ERIC Educational Resources Information Center

    Proper, Elizabeth C.; And Others

    This segment of the national evaluation study of the Follow Through Planned Variation Model discusses findings of analyses of achievement test data which have been adjusted to take into consideration the preschool experience of children in three Follow Through cohorts. These analyses serve as a supplement to analyses presented in Volume IV-A of…

  6. Education as Experimentation: A Planned Variation Model. Volume IV-E. Supplementary Analyses: Reanalysis of Selected Data Sets. Volume IV-F. Supplementary Analyses: Appendix.

    ERIC Educational Resources Information Center

    Proper, Elizabeth C.; And Others

    This segment of the national evaluation study of the Follow Through Planned Variation Model discusses findings of analyses of achievement test data which have been adjusted to take into consideration the preschool experience of children in three Follow Through cohorts. These analyses serve as a supplement to analyses presented in Volume IV-A of…

  7. Diverse anisotropy of phonon transport in two-dimensional group IV-VI compounds: A comparative study

    NASA Astrophysics Data System (ADS)

    Qin, Guangzhao; Qin, Zhenzhen; Fang, Wu-Zhang; Zhang, Li-Chuan; Yue, Sheng-Ying; Yan, Qing-Bo; Hu, Ming; Su, Gang

    2016-05-01

    New classes of two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics and clean energy, where thermal transport is a fundamental physical parameter. In this paper, we systematically investigated the phonon transport properties of the 2D orthorhombic group IV-VI compounds of GeS, GeSe, SnS and SnSe by solving the Boltzmann transport equation (BTE) based on first-principles calculations. Despite their similar puckered (hinge-like) structure along the armchair direction as phosphorene, the four monolayer compounds possess diverse anisotropic properties in many aspects, such as phonon group velocity, Young's modulus and lattice thermal conductivity (κ), etc. Especially, the κ along the zigzag and armchair directions of monolayer GeS shows the strongest anisotropy while monolayer SnS and SnSe show almost isotropy in phonon transport. The origin of the diverse anisotropy is fully studied and the underlying mechanism is discussed in details. With limited size, the κ could be effectively lowered, and the anisotropy could be effectively modulated by nanostructuring, which would extend the applications to nanoscale thermoelectrics and thermal management. Our study offers fundamental understanding of the anisotropic phonon transport properties of 2D materials, and would be of significance for further study, modulation and applications in emerging technologies.

  8. Molecular modeling and statistical analysis in the design of derivatives of human dipeptidyl peptidase IV.

    PubMed

    Pereira, Alison L E; Dos Santos, Gabriela B; Franco, Márcia S F; Federico, Leonardo B; da Silva, Carlos H T P; Santos, Cleydson B R

    2017-01-24

    Human dipeptidyl peptidase IV (hDDP-IV) has a considerable importance in inactivation of glucagon-like peptide-1, which is related to type 2 diabetes. One approach for the treatment is the development of small hDDP-IV inhibitors. In order to design better inhibitors, we analyzed 5-(aminomethyl)-6-(2,4-dichlrophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine and a set of 24 molecules found in the BindingDB web database for model designing. The analysis of their molecular properties allowed the design of a multiple linear regression model for activity prediction. Their docking analysis allowed visualization of the interactions between the pharmacophore regions and hDDP-IV. After both analyses were performed, we proposed a set of nine molecules in order to predict their activity. Four of them displayed promising activity, and thus, had their docking performed, as well as, the pharmacokinetic and toxicological study. Two compounds from the proposed set showed suitable pharmacokinetic and toxicological characteristics, and therefore, they were considered promising for future synthesis and in vitro studies.

  9. Approximate Single-Diode Photovoltaic Model for Efficient I-V Characteristics Estimation

    PubMed Central

    Ting, T. O.; Zhang, Nan; Guan, Sheng-Uei; Wong, Prudence W. H.

    2013-01-01

    Precise photovoltaic (PV) behavior models are normally described by nonlinear analytical equations. To solve such equations, it is necessary to use iterative procedures. Aiming to make the computation easier, this paper proposes an approximate single-diode PV model that enables high-speed predictions for the electrical characteristics of commercial PV modules. Based on the experimental data, statistical analysis is conducted to validate the approximate model. Simulation results show that the calculated current-voltage (I-V) characteristics fit the measured data with high accuracy. Furthermore, compared with the existing modeling methods, the proposed model reduces the simulation time by approximately 30% in this work. PMID:24298205

  10. Flux extrapolation models used in the DOT IV discrete ordinates neutron transport code

    SciTech Connect

    Tomlinson, E.T.; Rhoades, W.A.; Engle, W.W. Jr.

    1980-05-01

    The DOT IV code solves the Boltzmann transport equation in two dimensions using the method of discrete ordinates. Special techniques have been incorporated in this code to mitigate the effects of flux extrapolation error in space meshes of practical size. This report presents the flux extrapolation models as they appear in DOT IV. A sample problem is also presented to illustrate the effects of the various models on the resultant flux. Convergence of the various models to a single result as the mesh is refined is also examined. A detailed comparison with the widely used TWOTRAN II code is reported. The features which cause DOT and TWOTRAN to differ in the converged results are completely observed and explained.

  11. A Clostridium Group IV Species Dominates and Suppresses a Mixed Culture Fermentation by Tolerance to Medium Chain Fatty Acids Products.

    PubMed

    Andersen, Stephen J; De Groof, Vicky; Khor, Way Cern; Roume, Hugo; Props, Ruben; Coma, Marta; Rabaey, Korneel

    2017-01-01

    A microbial community is engaged in a complex economy of cooperation and competition for carbon and energy. In engineered systems such as anaerobic digestion and fermentation, these relationships are exploited for conversion of a broad range of substrates into products, such as biogas, ethanol, and carboxylic acids. Medium chain fatty acids (MCFAs), for example, hexanoic acid, are valuable, energy dense microbial fermentation products, however, MCFA tend to exhibit microbial toxicity to a broad range of microorganisms at low concentrations. Here, we operated continuous mixed population MCFA fermentations on biorefinery thin stillage to investigate the community response associated with the production and toxicity of MCFA. In this study, an uncultured species from the Clostridium group IV (related to Clostridium sp. BS-1) became enriched in two independent reactors that produced hexanoic acid (up to 8.1 g L(-1)), octanoic acid (up to 3.2 g L(-1)), and trace concentrations of decanoic acid. Decanoic acid is reported here for the first time as a possible product of a Clostridium group IV species. Other significant species in the community, Lactobacillus spp. and Acetobacterium sp., generate intermediates in MCFA production, and their collapse in relative abundance resulted in an overall production decrease. A strong correlation was present between the community composition and both the hexanoic acid concentration (p = 0.026) and total volatile fatty acid concentration (p = 0.003). MCFA suppressed species related to Clostridium sp. CPB-6 and Lactobacillus spp. to a greater extent than others. The proportion of the species related to Clostridium sp. BS-1 over Clostridium sp. CPB-6 had a strong correlation with the concentration of octanoic acid (p = 0.003). The dominance of this species and the increase in MCFA resulted in an overall toxic effect on the mixed community, most significantly on the Lactobacillus spp., which resulted in a decrease in total

  12. A Clostridium Group IV Species Dominates and Suppresses a Mixed Culture Fermentation by Tolerance to Medium Chain Fatty Acids Products

    PubMed Central

    Andersen, Stephen J.; De Groof, Vicky; Khor, Way Cern; Roume, Hugo; Props, Ruben; Coma, Marta; Rabaey, Korneel

    2017-01-01

    A microbial community is engaged in a complex economy of cooperation and competition for carbon and energy. In engineered systems such as anaerobic digestion and fermentation, these relationships are exploited for conversion of a broad range of substrates into products, such as biogas, ethanol, and carboxylic acids. Medium chain fatty acids (MCFAs), for example, hexanoic acid, are valuable, energy dense microbial fermentation products, however, MCFA tend to exhibit microbial toxicity to a broad range of microorganisms at low concentrations. Here, we operated continuous mixed population MCFA fermentations on biorefinery thin stillage to investigate the community response associated with the production and toxicity of MCFA. In this study, an uncultured species from the Clostridium group IV (related to Clostridium sp. BS-1) became enriched in two independent reactors that produced hexanoic acid (up to 8.1 g L−1), octanoic acid (up to 3.2 g L−1), and trace concentrations of decanoic acid. Decanoic acid is reported here for the first time as a possible product of a Clostridium group IV species. Other significant species in the community, Lactobacillus spp. and Acetobacterium sp., generate intermediates in MCFA production, and their collapse in relative abundance resulted in an overall production decrease. A strong correlation was present between the community composition and both the hexanoic acid concentration (p = 0.026) and total volatile fatty acid concentration (p = 0.003). MCFA suppressed species related to Clostridium sp. CPB-6 and Lactobacillus spp. to a greater extent than others. The proportion of the species related to Clostridium sp. BS-1 over Clostridium sp. CPB-6 had a strong correlation with the concentration of octanoic acid (p = 0.003). The dominance of this species and the increase in MCFA resulted in an overall toxic effect on the mixed community, most significantly on the Lactobacillus spp., which resulted in a decrease in total

  13. Leading Generative Groups: A Conceptual Model

    ERIC Educational Resources Information Center

    London, Manuel; Sobel-Lojeski, Karen A.; Reilly, Richard R.

    2012-01-01

    This article presents a conceptual model of leadership in generative groups. Generative groups have diverse team members who are expected to develop innovative solutions to complex, unstructured problems. The challenge for leaders of generative groups is to balance (a) establishing shared goals with recognizing members' vested interests, (b)…

  14. Evolutionary models of in-group favoritism.

    PubMed

    Masuda, Naoki; Fu, Feng

    2015-01-01

    In-group favoritism is the tendency for individuals to cooperate with in-group members more strongly than with out-group members. Similar concepts have been described across different domains, including in-group bias, tag-based cooperation, parochial altruism, and ethnocentrism. Both humans and other animals show this behavior. Here, we review evolutionary mechanisms for explaining this phenomenon by covering recently developed mathematical models. In fact, in-group favoritism is not easily realized on its own in theory, although it can evolve under some conditions. We also discuss the implications of these modeling results in future empirical and theoretical research.

  15. Evolutionary models of in-group favoritism

    PubMed Central

    Fu, Feng

    2015-01-01

    In-group favoritism is the tendency for individuals to cooperate with in-group members more strongly than with out-group members. Similar concepts have been described across different domains, including in-group bias, tag-based cooperation, parochial altruism, and ethnocentrism. Both humans and other animals show this behavior. Here, we review evolutionary mechanisms for explaining this phenomenon by covering recently developed mathematical models. In fact, in-group favoritism is not easily realized on its own in theory, although it can evolve under some conditions. We also discuss the implications of these modeling results in future empirical and theoretical research. PMID:25926978

  16. Behavioral, Neurophysiological, and Synaptic Impairment in a Transgenic Neuregulin1 (NRG1-IV) Murine Schizophrenia Model.

    PubMed

    Papaleo, Francesco; Yang, Feng; Paterson, Clare; Palumbo, Sara; Carr, Gregory V; Wang, Yanhong; Floyd, Kirsten; Huang, Wenwei; Thomas, Craig J; Chen, Jingshan; Weinberger, Daniel R; Law, Amanda J

    2016-04-27

    Schizophrenia is a chronic, disabling neuropsychiatric disorder with complex genetic origins. The development of strategies for genome manipulation in rodents provides a platform for understanding the pathogenic role of genes and for testing novel therapeutic agents. Neuregulin 1 (NRG1), a critical developmental neurotrophin, is associated with schizophrenia. The NRG1 gene undergoes extensive alternative splicing and, to date, little is known about the neurobiology of a novel NRG1 isoform, NRG1-IV, which is increased in the brains of individuals with schizophrenia and associated with genetic risk variation. Here, we developed a transgenic mouse model (NRG1-IV/NSE-tTA) in which human NRG1-IV is selectively overexpressed in a neuronal specific manner. Using a combination of molecular, biochemical, electrophysiological, and behavioral analyses, we demonstrate that NRG1-IV/NSE-tTA mice exhibit abnormal behaviors relevant to schizophrenia, including impaired sensorimotor gating, discrimination memory, and social behaviors. These neurobehavioral phenotypes are accompanied by increases in cortical expression of the NRG1 receptor, ErbB4 and the downstream signaling target, PIK3-p110δ, along with disrupted dendritic development, synaptic pathology, and altered prefrontal cortical excitatory-inhibitory balance. Pharmacological inhibition of p110δ reversed sensorimotor gating and cognitive deficits. These data demonstrate a novel role for NRG1-IV in learning, memory, and neural circuit formation and a potential neurobiological mechanism for schizophrenia risk; show that deficits are pharmacologically reversible in adulthood; and further highlight p110δ as a target for antipsychotic drug development. Schizophrenia is a disabling psychiatric disorder with neurodevelopmental origins. Genes that increase risk for schizophrenia have been identified. Understanding how these genes affect brain development and function is necessary. This work is the first report of a newly

  17. Behavioral, Neurophysiological, and Synaptic Impairment in a Transgenic Neuregulin1 (NRG1-IV) Murine Schizophrenia Model

    PubMed Central

    Papaleo, Francesco; Yang, Feng; Paterson, Clare; Palumbo, Sara; Carr, Gregory V.; Wang, Yanhong; Floyd, Kirsten; Huang, Wenwei; Thomas, Craig J.; Chen, Jingshan; Weinberger, Daniel R.

    2016-01-01

    Schizophrenia is a chronic, disabling neuropsychiatric disorder with complex genetic origins. The development of strategies for genome manipulation in rodents provides a platform for understanding the pathogenic role of genes and for testing novel therapeutic agents. Neuregulin 1 (NRG1), a critical developmental neurotrophin, is associated with schizophrenia. The NRG1 gene undergoes extensive alternative splicing and, to date, little is known about the neurobiology of a novel NRG1 isoform, NRG1-IV, which is increased in the brains of individuals with schizophrenia and associated with genetic risk variation. Here, we developed a transgenic mouse model (NRG1-IV/NSE-tTA) in which human NRG1-IV is selectively overexpressed in a neuronal specific manner. Using a combination of molecular, biochemical, electrophysiological, and behavioral analyses, we demonstrate that NRG1-IV/NSE-tTA mice exhibit abnormal behaviors relevant to schizophrenia, including impaired sensorimotor gating, discrimination memory, and social behaviors. These neurobehavioral phenotypes are accompanied by increases in cortical expression of the NRG1 receptor, ErbB4 and the downstream signaling target, PIK3-p110δ, along with disrupted dendritic development, synaptic pathology, and altered prefrontal cortical excitatory–inhibitory balance. Pharmacological inhibition of p110δ reversed sensorimotor gating and cognitive deficits. These data demonstrate a novel role for NRG1-IV in learning, memory, and neural circuit formation and a potential neurobiological mechanism for schizophrenia risk; show that deficits are pharmacologically reversible in adulthood; and further highlight p110δ as a target for antipsychotic drug development. SIGNIFICANCE STATEMENT Schizophrenia is a disabling psychiatric disorder with neurodevelopmental origins. Genes that increase risk for schizophrenia have been identified. Understanding how these genes affect brain development and function is necessary. This work is the first

  18. Validation of nuclear criticality safety software and 27 energy group ENDF/B-IV cross sections. Revision 1

    SciTech Connect

    Lee, B.L. Jr.; D`Aquila, D.M.

    1996-01-01

    The original validation report, POEF-T-3636, was documented in August 1994. The document was based on calculations that were executed during June through August 1992. The statistical analyses in Appendix C and Appendix D were completed in October 1993. This revision is written to clarify the margin of safety being used at Portsmouth for nuclear criticality safety calculations. This validation gives Portsmouth NCS personnel a basis for performing computerized KENO V.a calculations using the Lockheed Martin Nuclear Criticality Safety Software. The first portion of the document outlines basic information in regard to validation of NCSS using ENDF/B-IV 27-group cross sections on the IBM3090 at ORNL. A basic discussion of the NCSS system is provided, some discussion on the validation database and validation in general. Then follows a detailed description of the statistical analysis which was applied. The results of this validation indicate that the NCSS software may be used with confidence for criticality calculations at the Portsmouth Gaseous Diffusion Plant. For calculations of Portsmouth systems using the specified codes and systems covered by this validation, a maximum k{sub eff} including 2{sigma} of 0.9605 or lower shall be considered as subcritical to ensure a calculational margin of safety of 0.02. The validation of NCSS on the IBM 3090 at ORNL was extended to include NCSS on the IBM 3090 at K-25.

  19. Two-Dimensional Large Gap Topological Insulators with Tunable Rashba Spin-Orbit Coupling in Group-IV films.

    PubMed

    Zhang, Shou-Juan; Ji, Wei-Xiao; Zhang, Chang-Wen; Li, Ping; Wang, Pei-Ji

    2017-04-03

    The coexistence of nontrivial topology and giant Rashba splitting, however, has rare been observed in two-dimensional (2D) films, limiting severely its potential applications at room temperature. Here, we through first-principles calculations to propose a series of inversion-asymmetric group-IV films, ABZ2 (A ≠ B = Si, Ge, Sn, Pb; Z = F, Cl, Br), whose stability are confirmed by phonon spectrum calculations. The analyses of electronic structures reveal that they are intrinsic 2D TIs with a bulk gap as large as 0.74 eV, except for GeSiF2, SnSiCl2, GeSiCl2 and GeSiBr2 monolayers which can transform from normal to topological phases under appropriate tensile strain of 4, 4, 5, and 4%, respectively. The nontrivial topology is identified by Z2 topological invariant together with helical edge states, as well as the berry curvature of these systems. Another prominent intriguing feature is the giant Rashba spin splitting with a magnitude reaching 0.15 eV, the largest value reported in 2D films so far. The tunability of Rashba SOC and band topology can be realized through achievable compressive/tensile strains (-4 ~ 6%). Also, the BaTe semiconductor is an ideal substrate for growing ABZ2 films without destroying their nontrivial topology.

  20. Enhanced Telecom Emission from Single Group-IV Quantum Dots by Precise CMOS-Compatible Positioning in Photonic Crystal Cavities

    PubMed Central

    2017-01-01

    Efficient coupling to integrated high-quality-factor cavities is crucial for the employment of germanium quantum dot (QD) emitters in future monolithic silicon-based optoelectronic platforms. We report on strongly enhanced emission from single Ge QDs into L3 photonic crystal resonator (PCR) modes based on precise positioning of these dots at the maximum of the respective mode field energy density. Perfect site control of Ge QDs grown on prepatterned silicon-on-insulator substrates was exploited to fabricate in one processing run almost 300 PCRs containing single QDs in systematically varying positions within the cavities. Extensive photoluminescence studies on this cavity chip enable a direct evaluation of the position-dependent coupling efficiency between single dots and selected cavity modes. The experimental results demonstrate the great potential of the approach allowing CMOS-compatible parallel fabrication of arrays of spatially matched dot/cavity systems for group-IV-based data transfer or quantum optical systems in the telecom regime. PMID:28345012

  1. Does estradiol have an impact on the dipeptidyl peptidase IV enzyme activity of the Prevotella intermedia group bacteria?

    PubMed

    Fteita, Dareen; Könönen, Eija; Gürsoy, Mervi; Söderling, Eva; Gürsoy, Ulvi Kahraman

    2015-12-01

    Initiation and development of pregnancy-associated gingivitis is seemingly related to the microbial shift towards specific gram-negative anaerobes in subgingival biofilms. It is known that Prevotella intermedia sensu lato is able to use estradiol as an alternative source of growth instead of vitamin K. The aim of the present study was to investigate the impact of estradiol on the bacterial dipeptidyl peptidase IV (DPPIV) enzyme activity in vitro as a virulent factor of the Prevotella intermedia group bacteria, namely P. intermedia, Prevotella nigrescens, Prevotella pallens, and Prevotella aurantiaca. In all experiments, 2 strains of each Prevotella species were used. Bacteria were incubated with the concentrations of 0, 30, 90, and 120 nmol/L of estradiol and were allowed to build biofilms at an air-solid interface. DPPIV activities of biofilms were measured kinetically during 20 min using a fluorometric assay. The enzyme activity was later related to the amount of protein produced by the same biofilm, reflecting the biofilm mass. Estradiol significantly increased DPPIV activities of the 8 Prevotella strains in a strain- and dose-dependent manner. In conclusion, our in vitro experiments indicate that estradiol regulates the DPPIV enzyme activity of P. intermedia, P. nigrescens, P. pallens, and P. aurantiaca strains differently. Our results may, at least partly, explain the role of estradiol to elicit a virulent state which contributes to the pathogenesis of pregnancy-related gingivitis.

  2. Genome-Wide Association Study of Ureide Concentration in Diverse Maturity Group IV Soybean [Glycine max (L.) Merr.] Accessions

    PubMed Central

    Ray, Jeffery D.; Dhanapal, Arun Prabhu; Singh, Shardendu K.; Hoyos-Villegas, Valerio; Smith, James R.; Purcell, Larry C.; King, C. Andy; Boykin, Debbie; Cregan, Perry B.; Song, Qijian; Fritschi, Felix B.

    2015-01-01

    Ureides are the N-rich products of N-fixation that are transported from soybean nodules to the shoot. Ureides are known to accumulate in leaves in response to water-deficit stress, and this has been used to identify genotypes with reduced N-fixation sensitivity to drought. Our objectives in this research were to determine shoot ureide concentrations in 374 Maturity Group IV soybean accessions and to identify genomic regions associated with shoot ureide concentration. The accessions were grown at two locations (Columbia, MO, and Stuttgart, AR) in 2 yr (2009 and 2010) and characterized for ureide concentration at beginning flowering to full bloom. Average shoot ureide concentrations across all four environments (two locations and two years) and 374 accessions ranged from 12.4 to 33.1 µmol g−1 and were comparable to previously reported values. SNP–ureide associations within and across the four environments were assessed using 33,957 SNPs with a MAF ≥0.03. In total, 53 putative loci on 18 chromosomes were identified as associated with ureide concentration. Two of the putative loci were located near previously reported QTL associated with ureide concentration and 30 loci were located near genes associated with ureide metabolism. The remaining putative loci were not near chromosomal regions previously associated with shoot ureide concentration and may mark new genes involved in ureide metabolism. Ultimately, confirmation of these putative loci will provide new sources of variation for use in soybean breeding programs. PMID:26374596

  3. Two-Dimensional Large Gap Topological Insulators with Tunable Rashba Spin-Orbit Coupling in Group-IV films

    PubMed Central

    Zhang, Shou-juan; Ji, Wei-xiao; Zhang, Chang-wen; Li, Ping; Wang, Pei-ji

    2017-01-01

    The coexistence of nontrivial topology and giant Rashba splitting, however, has rare been observed in two-dimensional (2D) films, limiting severely its potential applications at room temperature. Here, we through first-principles calculations to propose a series of inversion-asymmetric group-IV films, ABZ2 (A ≠ B = Si, Ge, Sn, Pb; Z = F, Cl, Br), whose stability are confirmed by phonon spectrum calculations. The analyses of electronic structures reveal that they are intrinsic 2D TIs with a bulk gap as large as 0.74 eV, except for GeSiF2, SnSiCl2, GeSiCl2 and GeSiBr2 monolayers which can transform from normal to topological phases under appropriate tensile strain of 4, 4, 5, and 4%, respectively. The nontrivial topology is identified by Z2 topological invariant together with helical edge states, as well as the berry curvature of these systems. Another prominent intriguing feature is the giant Rashba spin splitting with a magnitude reaching 0.15 eV, the largest value reported in 2D films so far. The tunability of Rashba SOC and band topology can be realized through achievable compressive/tensile strains (−4 ~ 6%). Also, the BaTe semiconductor is an ideal substrate for growing ABZ2 films without destroying their nontrivial topology. PMID:28368035

  4. Optical characterization of group-iv semiconductor alloys using spectroscopic ellipsometry and high resolution x-ray diffraction

    NASA Astrophysics Data System (ADS)

    Fernando, Nalin S.

    Germanium is a group IV semiconductor widely used in the semiconductor optoelectronic industry. It is an indirect band material with the conduction band minimum at the L point. which is 0.140 eV below the conduction band at the F point. However. the band structure of Ge is a strong function of temperature. strain. alloy composition and dopant concentration. It has been reported that. at about 2% tensile strain. Ge becomes a direct band gap material. indicating the possibility of wide spread applications of Ge-based photonic devices. Alloying Ge with Sn also makes it a direct band gap material. relaxed Ge 1_ySny alloys become direct at 6-10% Sn. In addition. Ge1_s_ ySixSny ternary alloy with two compositional degrees of freedom allows decoupling of the lattice constant and electronic structures simultaneously. Band gap engineering of Ge by controlling strain. alloying composition and dopant concentration has attracted the interest of researchers in materials science. Hence. the knowledge of the compositional. strain. and temperature dependence of the Ge1_x_ySi_ xSny band structure is critical for the design of photonic devices with desired interband transition energy. This dissertation focuses on the optical characterization of the compositional. strain. and temperature dependence of the optical properties of Ge-Si-Sn alloys on Ge/Si substrates using spectroscopic ellipsometry. We use high resolution X-ray diffraction (HRXRD). X-ray reflectivity (XRR) and atomic force microscopy (AFM) to characterize the strain. composition. thickness. surface roughness of the Ge-Si-Sn epilayers on Ge/Si substrates. The temperature dependent thermal expansion coefficient of Ge is larger than Si. Therefore a Ge film. which is relaxed at the growth temperature ( 800 K) on Si substrate. likes to contract more rapidly compared to Si upon cooling down to lower temperatures. and will experience a temperature dependent biaxial tensile stress. We predict the strain dependence the E1 and E 1

  5. Multiscale Modeling of the Deformation of Advanced Ferritic Steels for Generation IV Nuclear Energy

    SciTech Connect

    Nasr M. Ghoniem; Nick Kioussis

    2009-04-18

    The objective of this project is to use the multi-scale modeling of materials (MMM) approach to develop an improved understanding of the effects of neutron irradiation on the mechanical properties of high-temperature structural materials that are being developed or proposed for Gen IV applications. In particular, the research focuses on advanced ferritic/ martensitic steels to enable operation up to 650-700°C, compared to the current 550°C limit on high-temperature steels.

  6. The relationship between the Five-Factor Model and latent DSM-IV personality disorder dimensions

    PubMed Central

    Nestadt, Gerald; Costa, Paul T.; Hsu, Fang-Chi; Samuels, Jack; Bienvenu, O. Joseph; Eaton, William W.

    2007-01-01

    This study compared the latent structure of the DSM-IV personality disorders to the Five-Factor Model (FFM) of general personality dimensions. The subjects in the study were 742 community-residing individuals who participated in the Hopkins Epidemiology of Personality Disorder Study. DSM-IV personality disorder traits were assessed by psychologists using the International Personality Disorder Examination, and personality disorder dimensions were derived previously using dichotomous factor analysis. The NEO-PI(R), a measure of the FFM, was administered to all subjects. The relationship between the two sets of personality-related constructs was examined using a construct validity framework and also using Pearson’s correlation coefficients, multiple linear regression models, and spline regression models. The five personality disorder factors each exhibited small to moderate correlations with several NEO dimensions; together, the NEO domain and facet scores “explained” a fifth to a third of the variance in personality disorder dimensions. Examples of non-linear relationships between the personality dimensions were identified. There is a modest correspondence between the personality disorder dimensions and FFM traits, and the traits of FFM only partially explain the variance of the personality disorders. Dimensional measures of general personality may be a suitable alternative to the DSM-IV. Whether additional maladaptive traits would better define the domain of personality disorders remains an important objective for future research. PMID:18063048

  7. 40 CFR Appendix IV to Part 600 - Sample Fuel Economy Labels for 2008 and Later Model Year Vehicles

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Sample Fuel Economy Labels for 2008... PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Pt. 600, App. IV Appendix IV to Part 600—Sample Fuel Economy Labels for 2008 and Later Model...

  8. 40 CFR Appendix IV to Part 600 - Sample Fuel Economy Labels for 2008 and Later Model Year Vehicles

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 30 2011-07-01 2011-07-01 false Sample Fuel Economy Labels for 2008... PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Pt. 600, App. IV Appendix IV to Part 600—Sample Fuel Economy Labels for 2008 and Later Model...

  9. 40 CFR Appendix IV to Part 600 - Sample Fuel Economy Labels for 2008 Through 2012 Model Year Vehicles

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 31 2012-07-01 2012-07-01 false Sample Fuel Economy Labels for 2008 Through 2012 Model Year Vehicles IV Appendix IV to Part 600 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND GREENHOUSE GAS EXHAUST EMISSIONS OF...

  10. An experiential group model for psychotherapy supervision.

    PubMed

    Altfeld, D A

    1999-04-01

    This article presents an experiential group model of supervision constructed for both group and individual therapy presentations, emphasizing concepts from object relations theory and group-as-a-whole dynamics. It focuses on intrapsychic, interpersonal, and systems processes, and stresses the group aspect of the supervisory process. Its central thesis is that material presented in a group supervisory setting stimulates conscious and unconscious parallel processes in group members. Through here-and-now responses, associations, and interactions among the supervisory members, countertransference issues that have eluded the presenter can make themselves known and be worked through on emotional as well as cognitive levels. Selected excerpts from supervisory sessions demonstrate various attributes and strengths of the model.

  11. A Predictive Model of Group Panic Behavior.

    ERIC Educational Resources Information Center

    Weinberg, Sanford B.

    1978-01-01

    Reports results of a study which tested the following model to predict group panic behavior: that panic reactions are characterized by the exercise of inappropriate leadership behaviors in situations of high stress. (PD)

  12. A Group Model for Residential Treatment

    ERIC Educational Resources Information Center

    Herstein, Norman; Simon, Neal

    1977-01-01

    Outlines a group-oriented residential treatment model for emotionally disturbed adolescents, aged 13-18. Key features include use of therapeutic language and value systems, delineation of developmental expectations, formation of a positive peer culture, and emphasis on the group process for both therapy and decision making. (Author/BF)

  13. Synergistic Inhibitory Effect of Traditional Chinese Medicine Astragaloside IV and Curcumin on Tumor Growth and Angiogenesis in an Orthotopic Nude-Mouse Model of Human Hepatocellular Carcinoma.

    PubMed

    Zhang, Shuo; Tang, Decai; Zang, Wenhua; Yin, Gang; Dai, Jianguo; Sun, Y U; Yang, Zhijian; Hoffman, Robert M; Guo, Xiuxia

    2017-02-01

    The aim of the present study was to investigate the efficacy of the traditional Chinese medicine (TCM), astragaloside IV (AS-IV) and curcumin on tumor growth and angiogenesis in an orthotopic nude-mouse model of human hepatocellular carcinoma (HCC). We have previously shown the usefulness of orthotopic models of human cancer for evaluation of the efficacy of TCM. Nude mice with orthotopic HepG2 HCC were treated with vehicle control (0.01 ml/g normal saline), cisplatinum (2 mg/kg), AS-IV (20 mg/kg), curcumin (100 mg/kg) or AS-IV plus curcumin (20 mg/kg + 100 mg/kg). Tumor inhibition in each group was evaluated by tumor weight at autopsy. The effect of AS-IV and curcumin on tumor angiogenesis was assessed by CD34 staining and expression of fibroblast growth factor-2 (FGF2), matrix metalloproteinase 2 (MMP2), vascular endothelial growth factor (VEGF), hepatocyte growth factor (HGF), thrombosis-related factor tissue factor (TF) and coagulation factor VII (FVII), as well as microRNAs miR-122 and miR-221. AS-IV and curcumin alone and in combination significantly reduced mean tumor weight compared to vehicle control (p<0.05). Tumor microvessel count was reduced by AS-IV and curcumin alone. Expression of FGF2, MMP2, VEGF, HGF, TF and FVII was reduced by AS-IV and curcumin alone. AS-IV and curcumin alone up-regulated expression of miR-122 and down-regulated that of miR-221. The combination of AS-IV and curcumin demonstrated significant synergistic effects on microvessel count as well as on expression of angiogenic and thrombosis-related factors and microRNAs. The present study indicates future clinical potential of combination therapy with AS-IV and curcumin for HCC. Copyright© 2017, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

  14. Helping General Physical Educators and Adapted Physical Educators Address the Office of Civil Rights Dear Colleague Guidance Letter: Part IV--Sport Groups

    ERIC Educational Resources Information Center

    Lieberman, Lauren; Lucas, Mark; Jones, Jeffery; Humphreys, Dan; Cody, Ann; Vaughn, Bev; Storms, Tommie

    2013-01-01

    "Helping General Physical Educators and Adapted Physical Educators Address the Office of Civil Rights Dear Colleague Guidance Letter: Part IV--Sport Groups" provides the the following articles: (1) "Sport Programming Offered by Camp Abilities and the United States Association for Blind Athletes" (Lauren Lieberman and Mark…

  15. The Development and Evaluation of Training Methods for Group IV Personnel. 1. Orientation and Implementation of the Training Methods Development School (TMDS).

    ERIC Educational Resources Information Center

    Steinemann, John H.

    The investigation is part of continuing Navy research on the Trainability of Group IV (low ability) personnel intended to maximize the utilization and integration of marginal personnel in the fleet. An experimental Training Methods Development School (TMDS) was initiated to provide an experimental training program, with research controls, for…

  16. Helping General Physical Educators and Adapted Physical Educators Address the Office of Civil Rights Dear Colleague Guidance Letter: Part IV--Sport Groups

    ERIC Educational Resources Information Center

    Lieberman, Lauren; Lucas, Mark; Jones, Jeffery; Humphreys, Dan; Cody, Ann; Vaughn, Bev; Storms, Tommie

    2013-01-01

    "Helping General Physical Educators and Adapted Physical Educators Address the Office of Civil Rights Dear Colleague Guidance Letter: Part IV--Sport Groups" provides the the following articles: (1) "Sport Programming Offered by Camp Abilities and the United States Association for Blind Athletes" (Lauren Lieberman and Mark…

  17. Practical routes to (SiH₃)₃P: applications in group IV semiconductor activation and in group III-V molecular synthesis.

    PubMed

    Tice, Jesse B; Chizmeshya, A V G; Tolle, J; D' Costa, V R; Menendez, J; Kouvetakis, J

    2010-05-21

    The (SiH₃)₃P hydride is introduced as a practical source for n-doping of group IV semiconductors and as a highly-reactive delivery agent of -(SiH₃)₂P functionalities in exploratory synthesis. In contrast to earlier methods, the compound is produced here in high purity quantitative yields via a new single-step method based on reactions of SiH₃Br and (Me₃Sn)₃P, circumventing the need for toxic and unstable starting materials. As an initial demonstration of its utility we synthesized monosubstituted Me₂M-P(SiH₃)₂ (M = Al, Ga, In) derivatives of Me₃M containing the (SiH₃)₂P ligand for the first time, in analogy to the known Me₂M-P(SiMe₃)₂ counterparts. A dimeric structure of Me₂M-P(SiH₃)₂ is proposed on the basis of spectroscopic characterizations and quantum chemical simulations. Next, in the context of materials synthesis, the (SiH₃)₃P compound was used to dope germanium for the first time by building a prototype p(++)Si(100)/i-Ge/n-Ge photodiode structure. The resultant n-type Ge layers contained active carrier concentrations of 3-4 × 10¹⁹ atoms cm⁻³ as determined by spectroscopic ellipsometry and confirmed by SIMS. Strain analysis using high resolution XRD yielded a Si content of 4 × 10²⁰ atoms cm⁻³ in agreement with SIMS and within the range expected for incorporating Si₃P type units into the diamond cubic Ge matrix. Extensive characterizations for structure, morphology and crystallinity indicate that the Si co-dopant plays essentially a passive role and does not compromise the device quality of the host material nor does it fundamentally alter its optical properties.

  18. Behavior of platinum(iv) complexes in models of tumor hypoxia: cytotoxicity, compound distribution and accumulation.

    PubMed

    Schreiber-Brynzak, Ekaterina; Pichler, Verena; Heffeter, Petra; Hanson, Buck; Theiner, Sarah; Lichtscheidl-Schultz, Irene; Kornauth, Christoph; Bamonti, Luca; Dhery, Vineet; Groza, Diana; Berry, David; Berger, Walter; Galanski, Markus; Jakupec, Michael A; Keppler, Bernhard K

    2016-04-01

    Hypoxia in solid tumors remains a challenge for conventional cancer therapeutics. As a source for resistance, metastasis development and drug bioprocessing, it influences treatment results and disease outcome. Bioreductive platinum(iv) prodrugs might be advantageous over conventional metal-based therapeutics, as biotransformation in a reductive milieu, such as under hypoxia, is required for drug activation. This study deals with a two-step screening of experimental platinum(iv) prodrugs with different rates of reduction and lipophilicity with the aim of identifying the most appropriate compounds for further investigations. In the first step, the cytotoxicity of all compounds was compared in hypoxic multicellular spheroids and monolayer culture using a set of cancer cell lines with different sensitivities to platinum(ii) compounds. Secondly, two selected compounds were tested in hypoxic xenografts in SCID mouse models in comparison to satraplatin, and, additionally, (LA)-ICP-MS-based accumulation and distribution studies were performed for these compounds in hypoxic spheroids and xenografts. Our findings suggest that, while cellular uptake and cytotoxicity strongly correlate with lipophilicity, cytotoxicity under hypoxia compared to non-hypoxic conditions and antitumor activity of platinum(iv) prodrugs are dependent on their rate of reduction.

  19. Modeling selenium (IV and VI) adsorption envelopes in selected tropical soils using the constant capacitance model

    USDA-ARS?s Scientific Manuscript database

    The adsorption of selenium (Se) on soil is important due to the relevance of Se to environmental and health issues. The adsorption of Se(IV) and Se(VI) was evaluated on soil samples from São Paulo state, Brazil, as a function of varying pH, and the experimental data were fitted to the constant capac...

  20. Bayesian Model Selection for Group Studies

    PubMed Central

    Stephan, Klaas Enno; Penny, Will D.; Daunizeau, Jean; Moran, Rosalyn J.; Friston, Karl J.

    2009-01-01

    Bayesian model selection (BMS) is a powerful method for determining the most likely among a set of competing hypotheses about the mechanisms that generated observed data. BMS has recently found widespread application in neuroimaging, particularly in the context of dynamic causal modelling (DCM). However, so far, combining BMS results from several subjects has relied on simple (fixed effects) metrics, e.g. the group Bayes factor (GBF), that do not account for group heterogeneity or outliers. In this paper, we compare the GBF with two random effects methods for BMS at the between-subject or group level. These methods provide inference on model-space using a classical and Bayesian perspective respectively. First, a classical (frequentist) approach uses the log model evidence as a subject-specific summary statistic. This enables one to use analysis of variance to test for differences in log-evidences over models, relative to inter-subject differences. We then consider the same problem in Bayesian terms and describe a novel hierarchical model, which is optimised to furnish a probability density on the models themselves. This new variational Bayes method rests on treating the model as a random variable and estimating the parameters of a Dirichlet distribution which describes the probabilities for all models considered. These probabilities then define a multinomial distribution over model space, allowing one to compute how likely it is that a specific model generated the data of a randomly chosen subject as well as the exceedance probability of one model being more likely than any other model. Using empirical and synthetic data, we show that optimising a conditional density of the model probabilities, given the log-evidences for each model over subjects, is more informative and appropriate than both the GBF and frequentist tests of the log-evidences. In particular, we found that the hierarchical Bayesian approach is considerably more robust than either of the other

  1. Preparation, structure, and ethylene (co)polymerization behavior of Group IV metal complexes with an [OSSO]-carborane ligand.

    PubMed

    Hu, Ping; Wang, Jian-Qiang; Wang, Fosong; Jin, Guo-Xin

    2011-07-25

    The synthesis of Group IV metal complexes that contain a tetradentate dianionic [OSSO]-carborane ligand [(HOC(6)H(2)tBu(2)-4,6)(2)(CH(2))(2)S(2)C(2 (B(10)H(10))] (1a) is described. Reactions of TiCl(4) and Ti(OiPr)(4) with the [OSSO]-type ligand 1a afford six-coordinated titanium complex [Ti(OC(6)H(2)tBu(2)-4,6)(2)(CH(2))(2)S(2)C(2)(B(10)H(10))Cl(2)] (2a) and four-coordinated titanium complex [Ti(OC(6)H(2)tBu(2)-4,6)(2)(CH(2))(2)S(2)C(2)(B(10)H(10))(OiPr)(2)] (2b), respectively. ZrCl(4) and HfCl(4) were treated with 1a to give six-coordinated zirconium complex [Zr(OC(6)H(2)tBu(2)-4,6)(2)(CH(2))(2)S(2)C(2)(B(10)H(10))Cl(2) (thf)(2)] (2c) and six-coordinated hafnium complex [Hf(OC(6)H(2)tBu(2)-4,6)(2)(CH(2))(2)S(2)C(2)(B(10)H(10))Cl(2)] (2d). All the complexes were fully characterized by IR, NMR spectroscopy, and elemental analysis. In addition, X-ray structure analyses were performed on complexes 2a and 2b and reveal the expected different coordination geometry due to steric hindrance effects. Extended X-ray absorption fine structure (EXAFS) spectroscopy was performed on complexes 2c and 2d to describe the coordination chemistry of this ligand around Zr and Hf. Six-coordinated titanium complex 2a showed good activity toward ethylene polymerization as well as toward copolymerization of ethylene with 1-hexene in the presence of methylaluminoxane (MAO) as cocatalyst (up to 1060 kg[mol(Ti)](-1) h(-1) in the case of 10 atm of ethylene pressure).

  2. Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies

    PubMed Central

    2015-01-01

    YopH tyrosine phosphatase, a virulence factor produced by pathogenic species of Yersinia, is an attractive drug target. In this work, three oxidovanadium(IV) complexes were assayed against recombinant YopH and showed strong inhibition of the enzyme in the nanomolar range. Molecular modeling indicated that their binding is reinforced by H-bond, cation−π, and π–π interactions conferring specificity toward YopH. These complexes are thus interesting lead molecules for phosphatase inhibitor drug discovery. PMID:26617957

  3. Spontaneous Group Formation in the Seceder Model

    NASA Astrophysics Data System (ADS)

    Dittrich, Peter; Liljeros, Fredrik; Soulier, Arne; Banzhaf, Wolfgang

    2000-04-01

    The seceder model shows how the local tendency to be different gives rise to the formation of groups. The model consists of a population of simple entities which reproduce and die. In a single reproduction event three individuals are chosen randomly and the individual which possesses the largest distance to their center is reproduced by creating a mutated offspring. The offspring replaces a randomly chosen individual of the population. The paper demonstrates the complex group formation behavior and its dependency on the population size.

  4. Further insights on the French WISC-IV factor structure through Bayesian structural equation modeling.

    PubMed

    Golay, Philippe; Reverte, Isabelle; Rossier, Jérôme; Favez, Nicolas; Lecerf, Thierry

    2013-06-01

    The interpretation of the Wechsler Intelligence Scale for Children--Fourth Edition (WISC-IV) is based on a 4-factor model, which is only partially compatible with the mainstream Cattell-Horn-Carroll (CHC) model of intelligence measurement. The structure of cognitive batteries is frequently analyzed via exploratory factor analysis and/or confirmatory factor analysis. With classical confirmatory factor analysis, almost all cross-loadings between latent variables and measures are fixed to zero in order to allow the model to be identified. However, inappropriate zero cross-loadings can contribute to poor model fit, distorted factors, and biased factor correlations; most important, they do not necessarily faithfully reflect theory. To deal with these methodological and theoretical limitations, we used a new statistical approach, Bayesian structural equation modeling (BSEM), among a sample of 249 French-speaking Swiss children (8-12 years). With BSEM, zero-fixed cross-loadings between latent variables and measures are replaced by approximate zeros, based on informative, small-variance priors. Results indicated that a direct hierarchical CHC-based model with 5 factors plus a general intelligence factor better represented the structure of the WISC-IV than did the 4-factor structure and the higher order models. Because a direct hierarchical CHC model was more adequate, it was concluded that the general factor should be considered as a breadth rather than a superordinate factor. Because it was possible for us to estimate the influence of each of the latent variables on the 15 subtest scores, BSEM allowed improvement of the understanding of the structure of intelligence tests and the clinical interpretation of the subtest scores. PsycINFO Database Record (c) 2013 APA, all rights reserved.

  5. Turbulent group reaction model of spray dryer

    SciTech Connect

    Ma, H.K.; Huang, H.S.; Chiu, H.H.

    1987-01-01

    A turbulent group reaction model consisting of several sub-models was developed for the prediction of SO/sub 2/ removal efficiency in spray dryers. Mathematical models are developed on the basis of Eulerian-type turbulent Navier-Stokes equations for both gas and condensed phases with interphase transport considerations. The group reaction number, G, is defined as the ratio of the SO/sub 2/ absorption rate to a reference convective mass flux. This number represents the fraction of SO/sub 2/ absorbed into the lime slurry. The model is incorporated into a computer code which permits the investigation of spray dryer design concepts and operating conditions. Hence, it provides a theoretical basis for spray dryer performance optimization and scale-up. This investigation can be a practical guide to achieve high SO/sub 2/ removal efficiency in a spray dryer.

  6. Group IV complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.

    PubMed

    Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam

    2013-12-14

    A series of Ti(IV), Zr(IV) and Hf(IV) benzotriazole phenoxide (BTP) complexes were synthesized and characterized by various spectroscopic techniques, elemental analysis and X-ray crystallography. The monosubstituted Zr(IV) BTP complexes [(μ-L)Zr(O(i)Pr)3]2 1-3 [L = (C1)BTP-H (1), (TCl)BTP-H (2), (pent)BTP-H (3)] and tetrasubstituted Zr(IV), Hf(IV) complexes ZrL4 4-6 [L = (C1)BTP-H (4), (TCl)BTP-H (5), (pent)BTP-H (6)] and HfL4 7-9 [L = (C1)BTP-H (7), (TCl)BTP-H (8), (pent)BTP-H (9)] were prepared by the reaction of Zr(O(i)Pr)4·((i)PrOH) and Hf(O(t)Bu)4 in toluene with the respective ligands in different stoichiometric proportions. The reaction between BTP and TiCl4 and ZrCl4 and HfCl4 in a 2 : 1 stoichiometric reaction resulted in the formation of disubstituted group IV chloride complexes L2MCl2 10-12 [L = (C1)BTP-H, M = Ti, Zr and Hf]. The molecular structures of complexes 1, 4, 7, 10, 11, and 12 were determined by single-crystal X-ray studies. The X-ray structure of 1 reveals a dimeric Zr(IV) complex containing a Zr2O2 core bridged through the oxygen atoms of the phenoxide groups. Each Zr atom is distorted from an octahedral symmetry. These complexes were found to be active towards the ring-opening polymerization (ROP) of L-lactide (L-LA) and rac-lactide (rac-LA). Complex 1 produced highly heterotactic poly(lactic acid) (PLA) from rac-LA under melt conditions with narrow molecular weight distributions (MWDs) and well controlled number average molecular weights (M(n)). Additionally, epoxide polymerizations using rac-cyclohexene oxide (CHO), rac-propylene oxide (PO), and rac-styrene oxide (SO) were also carried out with these complexes. The yield and molecular weight of the polymer was found to increase with the extension of reaction time. Compounds 1-12 were activated by methylaluminoxane (MAO) and show good activity for ethylene polymerization and produced high molecular weight polyethylene.

  7. Multidimensional Model of Fluid Flow and Heat Transfer in Generation-IV Supercritical Water Reactors

    SciTech Connect

    Gallaway, Tara; Antal, Steven P.; Podowski, Michael Z.

    2006-07-01

    This paper is concerned with the mechanistic modeling and theoretical/computational analysis of flow and heat transfer in future Generation-IV Supercritical Water Cooled Reactors (SCWR). The issues discussed in the paper include: the development of analytical models of the properties of supercritical water, and the application of full three-dimensional computational modeling framework to simulate fluid flow and heat transfer in SCWRs. Several results of calculations are shown, including the evaluation of water properties (density, specific heat, thermal conductivity, viscosity, and Prandtl number) near the pseudo-critical temperature for various supercritical pressures, and the CFD predictions using the NPHASE computer code. It is demonstrated that the proposed approach is very promising for future mechanistic analyses of SCWR thermal-hydraulics and safety. (authors)

  8. Validation of the Monte Carlo criticality program KENO IV and the Hansen-Roach sixteen-energy-group-cross sections for high-assay uranium systems. [KENO IV criticality code

    SciTech Connect

    Handley, G. R.; Masters, L. C.; Stachowiak, R. V.

    1981-04-10

    Validation of the Monte Carlo criticality code, KENO IV, and the Hansen-Roach sixteen-energy-group cross sections was accomplished by calculating the effective neutron multiplication constant, k/sub eff/, of 29 experimentally critical assemblies which had uranium enrichments of 92.6% or higher in the uranium-235 isotope. The experiments were chosen so that a large variety of geometries and of neutron energy spectra were covered. Problems, calculating the k/sub eff/ of systems with high-uranium-concentration uranyl nitrate solution that were minimally reflected or unreflected, resulted in the separate examination of five cases.

  9. Modeling Success in FLOSS Project Groups

    SciTech Connect

    Beaver, Justin M; Cui, Xiaohui; ST Charles, Jesse Lee; Potok, Thomas E

    2009-01-01

    A significant challenge in software engineering is accurately modeling projects in order to correctly forecast success or failure. The primary difficulty is that software development efforts are complex in terms of both the technical and social aspects of the engineering environment. This is compounded by the lack of real data that captures both the measures of success in performing a process, and the measures that reflect a group s social dynamics. This research focuses on the development of a model for predicting software project success that leverages the wealth of available open source project data in order to accurately model the behavior of those software engineering groups. Our model accounts for both the technical elements of software engineering as well as the social elements that drive the decisions of individual developers. We use agent-based simulations to represent the complexity of the group interactions, and base the behavior of the agents on the real software engineering data acquired. For four of the five project success measures, our results indicate that the developed model represents the underlying data well and provides accurate predictions of open source project success indicators.

  10. The relationships between WAIS-IV factor index scores and educational level: A bifactor model approach.

    PubMed

    Abad, Francisco J; Sorrel, Miguel A; Román, Francisco J; Colom, Roberto

    2016-08-01

    IQ summary scores may not involve equivalent psychological meaning for different educational levels. Ultimately, this relates to the distinction between constructs and measurements. Here, we explore this issue studying the standardization of the Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV) for Spain. A representative sample of 743 individuals (374 females and 369 males) who completed the 15 subtests comprising this intelligence battery was considered. We analyzed (a) the best latent factor structure for modeling WAIS-IV subtest performance, (b) measurement invariance across educational levels, and (c) the relationships of educational level/attainment with latent factors, Full Scale IQ (FSIQ), and index factor scores. These were the main findings: (a) the bifactor model provides the best fit; (b) there is partial invariance, and therefore it is concluded that the battery is a proper measure of the constructs of interest for the educational levels analyzed (nevertheless, the relevance of g decreases at high educational levels); (c) at the latent level, g and, to a lesser extent, Verbal Comprehension and Processing Speed, are positively related to educational level/attainment; (d) despite the previous finding, we find that Verbal Comprehension and Processing Speed factor index scores have reduced incremental validity beyond FSIQ; and (e) FSIQ is a slightly biased measure of g. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

  11. Statistically Modeling I-V Characteristics of CNT-FET with LASSO

    NASA Astrophysics Data System (ADS)

    Ma, Dongsheng; Ye, Zuochang; Wang, Yan

    2017-08-01

    With the advent of internet of things (IOT), the need for studying new material and devices for various applications is increasing. Traditionally we build compact models for transistors on the basis of physics. But physical models are expensive and need a very long time to adjust for non-ideal effects. As the vision for the application of many novel devices is not certain or the manufacture process is not mature, deriving generalized accurate physical models for such devices is very strenuous, whereas statistical modeling is becoming a potential method because of its data oriented property and fast implementation. In this paper, one classical statistical regression method, LASSO, is used to model the I-V characteristics of CNT-FET and a pseudo-PMOS inverter simulation based on the trained model is implemented in Cadence. The normalized relative mean square prediction error of the trained model versus experiment sample data and the simulation results show that the model is acceptable for digital circuit static simulation. And such modeling methodology can extend to general devices.

  12. Group-IV (Si, Ge, and Sn)-doped AgAlTe2 for intermediate band solar cell from first-principles study

    NASA Astrophysics Data System (ADS)

    Huang, Dan; Jiang, Jing-Wen; Guo, Jin; Zhao, Yu-Jun; Chen, Rongzhen; Persson, Clas

    2017-06-01

    Earlier studies of chalcopyrites as the absorber for intermediate band solar cells (IBSCs) mainly focused on Cu-based compounds, whose intermediate band is usually empty due to its intrinsic p-type conductivity. This is not beneficial to the two sub-bandgap absorptions. In this paper, we demonstrate that the intermediate bands in group IV (Si, Ge, and Sn) doped AgAlTe2 are delocalized and mainly contributed by the anti-bonding state of group-IV elements s state and Te-p state. Overall, we suggest that Sn-doped AgAlTe2 should be a promising absorber candidate for IBSCs based on the theoretical efficiency and defect stability.

  13. Surface Engineering of PAMAM-SDB Chelating Resin with Diglycolamic Acid (DGA) Functional Group for Efficient Sorption of U(VI) and Th(IV) from Aqueous Medium.

    PubMed

    Ilaiyaraja, P; Deb, A K Singha; Ponraju, D; Ali, Sk Musharaf; Venkatraman, B

    2017-04-15

    A novel chelating resin obtained via growth of PAMAM dendron on surface of styrene divinyl benzene resin beads, followed by diglycolamic acid functionalization of the dendrimer terminal. Batch experiments were conducted to study the effects of pH, nitric acid concentration, amount of adsorbent, shaking time, initial metal ion concentration and temperature on U(VI) and Th(IV) adsorption efficiency. Diglycolamic acid terminated PAMAM dendrimer functionalized styrene divinylbenzene chelating resin (DGA-PAMAM-SDB) is found to be an efficient candidate for the removal of U(VI) and Th(IV) ions from aqueous (pH >4) and nitric acid media (>3M). The sorption equilibrium could be reached within 60min, and the experimental data fits with pseudo-second-order model. Langmuir sorption isotherm model correlates well with sorption equilibrium data. The maximum U(VI) and Th(IV) sorption capacity onto DGA-PAMAMG5-SDB was estimated to be about 682 and 544.2mgg(-1) respectively at 25°C. The interaction of actinides and chelating resin is reversible and hence, the resin can be regenerated and reused. DFT calculation on the interaction of U(VI) and Th(IV) ions with chelating resin validates the experimental findings.

  14. Renormalization Group in the Standard Model

    SciTech Connect

    Kielanowski, P.; Juarez W, S. R.

    2007-11-27

    We discuss two applications of the renormalization group method in the Standard Model. In the first one we present some theorems about the running of the Cabibbo-Kobayashi-Maskawa matrix and show that the evolution depends on one function of energy only. In the second one we discuss the properties of the running of the Higgs potential and derive the limits for the Higgs mass.

  15. Group Chaos Theory: A Metaphor and Model for Group Work

    ERIC Educational Resources Information Center

    Rivera, Edil Torres; Wilbur, Michael; Frank-Saraceni, James; Roberts-Wilbur, Janice; Phan, Loan T.; Garrett, Michael T.

    2005-01-01

    Group phenomena and interactions are described through the use of the chaos theory constructs and characteristics of sensitive dependence on initial conditions, phase space, turbulence, emergence, self-organization, dissipation, iteration, bifurcation, and attractors and fractals. These constructs and theoretical tenets are presented as applicable…

  16. Group Chaos Theory: A Metaphor and Model for Group Work

    ERIC Educational Resources Information Center

    Rivera, Edil Torres; Wilbur, Michael; Frank-Saraceni, James; Roberts-Wilbur, Janice; Phan, Loan T.; Garrett, Michael T.

    2005-01-01

    Group phenomena and interactions are described through the use of the chaos theory constructs and characteristics of sensitive dependence on initial conditions, phase space, turbulence, emergence, self-organization, dissipation, iteration, bifurcation, and attractors and fractals. These constructs and theoretical tenets are presented as applicable…

  17. Group Prenatal Care: Model Fidelity and Outcomes

    PubMed Central

    NOVICK, Gina; REID, Allecia E.; LEWIS, Jessica; KERSHAW, Trace S.; RISING, Sharon S.; ICKOVICS, Jeannette R.

    2013-01-01

    Objective CenteringPregnancy group prenatal care has been demonstrated to improve pregnancy outcomes. However, there is likely variation in how the model is implemented in clinical practice, which may be associated with efficacy, and therefore variation, in outcomes. We examined the association of fidelity to process and content of the CenteringPregnancy group prenatal care model with outcomes previously shown to be affected in a clinical trial: preterm birth, adequacy of prenatal care and breastfeeding initiation. Study Design Participants were 519 women who received CenteringPregnancy group prenatal care. Process fidelity reflected how facilitative leaders were and how involved participants were in each session. Content fidelity reflected whether recommended content was discussed in each session. Fidelity was rated at each session by a trained researcher. Preterm birth and adequacy of care were abstracted from medical records. Participants self-reported breastfeeding initiation at 6-months postpartum. Results Controlling for important clinical predictors, greater process fidelity was associated with significantly lower odds of both preterm birth (B=−0.43, Wald χ2=8.65, P=.001) and intensive utilization of care (B=−0.29, Wald χ2=3.91, P=.05). Greater content fidelity was associated with lower odds of intensive utilization of care (B=−0.03, Wald χ2=9.31, P=.001). Conclusion Maintaining fidelity to facilitative group processes in CenteringPregnancy was associated with significant reductions in preterm birth and intensive care utilization of care. Content fidelity also was associated with reductions in intensive utilization of care. Clinicians learning to facilitate group care should receive training in facilitative leadership, emphasizing the critical role that creating a participatory atmosphere can play in improving outcomes. PMID:23524175

  18. Group IV organometallic compounds based on dianionic "pincer" ligands: synthesis, characterization, and catalytic activity in intramolecular hydroamination reactions.

    PubMed

    Luconi, Lapo; Rossin, Andrea; Motta, Alessandro; Tuci, Giulia; Giambastiani, Giuliano

    2013-04-08

    Neutral Zr(IV) and Hf(IV) diamido complexes stabilized by unsymmetrical dianionic N,C,N' pincer ligands have been prepared through the simplest and convenient direct metal-induced Caryl-H bond activation. Simple ligand modification has contributed to highlight the non-innocent role played by the donor atom set in the control of the cyclometallation kinetics. The as-prepared bis-amido catalysts were found to be good candidates for the intramolecular hydroamination/cyclization of primary aminoalkenes. The ability of these compounds to promote such a catalytic transformation efficiently (by providing, in some cases, fast and complete substrate conversion at room temperature) constitutes a remarkable step forward toward catalytic systems that can operate at relatively low catalyst loading and under milder reaction conditions. Kinetic studies and substrate-scope investigations, in conjunction with preliminary DFT calculations on the real systems, were used to elucidate the effects of the substrate substitution on the catalyst performance and to support the most reliable mechanistic path operative in the hydroamination reaction.

  19. Modeling of thorium (IV) ions adsorption onto a novel adsorbent material silicon dioxide nano-balls using response surface methodology.

    PubMed

    Kaynar, Ümit H; Şabikoğlu, Israfil; Kaynar, Sermin Çam; Eral, Meral

    2016-09-01

    The silicon dioxide nano-balls (nano-SiO2) were prepared for the adsorption of thorium (IV) ions from aqueous solution. The synthesized silicon dioxide nano-balls were characterized by Scanning Electron Microscopy/Energy Dispersive X-ray, X-ray Diffraction, Fourier Transform Infrared and BET surface area measurement spectroscopy. The effects of pH, concentration, temperature and the solid-liquid ratio on the adsorption of thorium by nano-balls were optimized using central composite design of response surface methodology. The interaction between four variables was studied and modelled. Furthermore, the statistical analysis of the results was done. Analysis of variance revealed that all of the single effects found statistically significant on the sorption of Th(IV). Probability F-values (F=4.64-14) and correlation coefficients (R(2)=0.99 for Th(IV)) indicate that model fit the experimental data well. The ability of this material to remove Th(IV) from aqueous solution was characterized by Langmuir, Freunlinch and Temkin adsorption isotherms. The adsorption capacity of thorium (IV) achieved 188.2mgg(-1). Thermodynamic parameters were determined and discussed. The batch adsorption condition with respect to interfering ions was tested. The results indicated that silicon dioxide nano-balls were suitable as sorbent material for adsorption and recovery of Th(IV) ions from aqueous solutions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Computational social dynamic modeling of group recruitment.

    SciTech Connect

    Berry, Nina M.; Lee, Marinna; Pickett, Marc; Turnley, Jessica Glicken; Smrcka, Julianne D.; Ko, Teresa H.; Moy, Timothy David; Wu, Benjamin C.

    2004-01-01

    The Seldon software toolkit combines concepts from agent-based modeling and social science to create a computationally social dynamic model for group recruitment. The underlying recruitment model is based on a unique three-level hybrid agent-based architecture that contains simple agents (level one), abstract agents (level two), and cognitive agents (level three). This uniqueness of this architecture begins with abstract agents that permit the model to include social concepts (gang) or institutional concepts (school) into a typical software simulation environment. The future addition of cognitive agents to the recruitment model will provide a unique entity that does not exist in any agent-based modeling toolkits to date. We use social networks to provide an integrated mesh within and between the different levels. This Java based toolkit is used to analyze different social concepts based on initialization input from the user. The input alters a set of parameters used to influence the values associated with the simple agents, abstract agents, and the interactions (simple agent-simple agent or simple agent-abstract agent) between these entities. The results of phase-1 Seldon toolkit provide insight into how certain social concepts apply to different scenario development for inner city gang recruitment.

  1. Bifurcations in a Seasonally Forced Predator-Prey Model with Generalized Holling Type IV Functional Response

    NASA Astrophysics Data System (ADS)

    Ren, Jingli; Li, Xueping

    A seasonally forced predator-prey system with generalized Holling type IV functional response is considered in this paper. The influence of seasonal forcing on the system is investigated via numerical bifurcation analysis. Bifurcation diagrams for periodic solutions of periods one and two, containing bifurcation curves of codimension one and bifurcation points of codimension two, are obtained by means of a continuation technique, corresponding to different bifurcation cases of the unforced system illustrated in five bifurcation diagrams. The seasonally forced model exhibits more complex dynamics than the unforced one, such as stable and unstable periodic solutions of various periods, stable and unstable quasiperiodic solutions, and chaotic motions through torus destruction or cascade of period doublings. Finally, some phase portraits and corresponding Poincaré map portraits are given to illustrate these different types of solutions.

  2. Can Personality Disorder Experts Recognize DSM-IV Personality Disorders from Five-Factor Model Descriptions of Patient Cases?

    PubMed Central

    Rottman, Benjamin M.; Kim, Nancy S.; Ahn, Woo-kyoung; Sanislow, Charles A.

    2012-01-01

    Background Dimensional models of personality are under consideration for integration into the next Diagnostic and Statistical Manual of Mental Disorders (DSM-V), but the clinical utility of such models is unclear. Objective To test the ability of clinical researchers who specialize in personality disorders to diagnose personality disorders using dimensional assessments, and to compare these researchers’ ratings of clinical utility for a dimensional system versus for the DSM-IV. Method A sample of 73 researchers who had each published at least three (Median=15) articles on personality disorders participated between December 2008 and January 2009. The Five-Factor Model (FFM), one of the most-studied dimensional models to date, was compared to the DSM-IV. Participants provided diagnoses for case profiles in DSM-IV and FFM formats, and then rated the DSM-IV and FFM on six aspects of clinical utility. Results Overall, participants had difficulty identifying correct diagnoses from FFM profiles, and the same held true for a subset reporting equal familiarity with the DSM-IV and FFM. Participants rated the FFM as less clinically useful than the DSM for making prognoses, devising treatment plans, and communicating with professionals, but more useful for communicating with patients. Conclusions The results suggest that personality disorder expertise and familiarity with the FFM are insufficient to correctly diagnose personality disorders using FFM profiles. Because of ambiguity inherent in FFM profile descriptors, it may be that this insufficiency is unlikely to be attenuated with increased clinical familiarity with the FFM. PMID:21208595

  3. Compounds of tin(IV) - catalysts of amide formation. Effect of temperature and nature of leaving group

    SciTech Connect

    Oleinik, N.M.; Garkusha-Bozhko, I.P.; Usanova, I.V.

    1988-09-20

    The effect of substitution of the ester oxygen atom by sulfur in p-nitrophenyl acetate on its aminolysis rate with benzylamine in beneze at 25/degree/C in the presence of dibutyltin dibenzoate as catalyst was studied. Such substitution leads to a decrease in the catalytic activity by approximately a half, and this is explained by the smaller capacity of the sulfur atom for the formation of hydrogen bonds. The effect of temperature on the rate of the reaction of N-benzyl-oxycarbonylglycine p-nitrophenyl ester with glycine tert-butyl ester in benzene in the presence of dibutyltin dibenzoate was also investigated in the range of 10-50/degree/C. The Arrhenius equation is not fulfilled in this case. The obtained facts demonstrate the multistage character of the catalytic reaction and do not contradict the authors previously proposed bifunctional mechanism of catalysis by tin(IV) compounds.

  4. Alglucosidase alfa treatment alleviates liver disease in a mouse model of glycogen storage disease type IV.

    PubMed

    Yi, Haiqing; Gao, Fengqin; Austin, Stephanie; Kishnani, Priya S; Sun, Baodong

    2016-12-01

    Patients with progressive hepatic form of GSD IV often die of liver failure in early childhood. We tested the feasibility of using recombinant human acid-α glucosidase (rhGAA) for treating GSD IV. Weekly intravenously injection of rhGAA at 40 mg/kg for 4 weeks significantly reduced hepatic glycogen accumulation, lowered liver/body weight ratio, and reduced plasma ALP and ALT activities in GSD IV mice. Our data suggests that rhGAA is a potential therapy for GSD IV.

  5. An Application of the PMI Model at the Project Level Evaluation of ESEA Title IV-C Projects.

    ERIC Educational Resources Information Center

    McBeath, Marcia

    All of the papers presented as part of a symposium concerned the application of the Planning, Monitoring, and Implementation Model (PMI) to the evaluation of the District of Columbia Public Schools' programs supported by the Elementary Secondary Education Act (ESEA) Title IV-C. PMI was developed to provide a model for systematic evaluation of…

  6. Sublattice enumeration. IV. Equivalence classes of plane sublattices by parent Patterson symmetry and colour lattice group type.

    PubMed

    Rutherford, John S

    2009-03-01

    The Dirichlet generating functions for the number of sublattices fixed under each symmetry operation of the parent Patterson group may be combined to count the number of crystallographically nonequivalent sublattices, in total, by sublattice point group and by colour lattice group type. The combinatorial formulae used imply the existence of various congruences among the corresponding arithmetic functions.

  7. Evaluating WAIS-IV structure through a different psychometric lens: structural causal model discovery as an alternative to confirmatory factor analysis.

    PubMed

    van Dijk, Marjolein J A M; Claassen, Tom; Suwartono, Christiany; van der Veld, William M; van der Heijden, Paul T; Hendriks, Marc P H

    Since the publication of the WAIS-IV in the U.S. in 2008, efforts have been made to explore the structural validity by applying factor analysis to various samples. This study aims to achieve a more fine-grained understanding of the structure of the Dutch language version of the WAIS-IV (WAIS-IV-NL) by applying an alternative analysis based on causal modeling in addition to confirmatory factor analysis (CFA). The Bayesian Constraint-based Causal Discovery (BCCD) algorithm learns underlying network structures directly from data and assesses more complex structures than is possible with factor analysis. WAIS-IV-NL profiles of two clinical samples of 202 patients (i.e. patients with temporal lobe epilepsy and a mixed psychiatric outpatient group) were analyzed and contrasted with a matched control group (N = 202) selected from the Dutch standardization sample of the WAIS-IV-NL to investigate internal structure by means of CFA and BCCD. With CFA, the four-factor structure as proposed by Wechsler demonstrates acceptable fit in all three subsamples. However, BCCD revealed three consistent clusters (verbal comprehension, visual processing, and processing speed) in all three subsamples. The combination of Arithmetic and Digit Span as a coherent working memory factor could not be verified, and Matrix Reasoning appeared to be isolated. With BCCD, some discrepancies from the proposed four-factor structure are exemplified. Furthermore, these results fit CHC theory of intelligence more clearly. Consistent clustering patterns indicate these results are robust. The structural causal discovery approach may be helpful in better interpreting existing tests, the development of new tests, and aid in diagnostic instruments.

  8. STUDIES IN THE BLOOD CYTOLOGY OF THE RABBIT : IV. CONSECUTIVE NEUTROPHILE, BASOPHILE, AND EOSINOPHILE OBSERVATIONS ON GROUPS OF NORMAL RABBITS.

    PubMed

    Pearce, L; Casey, A E

    1930-07-31

    Consecutive weekly observations on the neutrophile, the basophile, and the eosinophile counts of the peripheral blood were made on 5 groups of normal rabbits, a total of 45 animals, during a period of 20 months from October, 1927 to July, 1929. Individual groups were examined 8 to 35 weeks. In the case of the 4 groups followed 13 to 35 weeks, the general trend of the neutrophile cells was towards increased mean values; with the group followed 8 weeks, decreasing values were found. An increase in the mean values of the basophile cells was observed in the two groups of rabbits followed in 1927-28; in the groups of 1928-29, the mean values decreased. The mean values of the eosinophile cells showed no definite trends but the findings were characterized by abrupt and marked fluctuations. The periods of greatest irregularity in mean neutrophile and eosinophile values occurred in the fall and the late winter and spring months of both years, but in the case of the basophiles, the irregularities were distributed throughout the first year and occurred chiefly in the winter months of the second year. The major trends and many of the minor fluctuations as well which were observed in the mean cell values of one group of rabbits were also generally seen in another group examined during the same months. The general levels of the neutrophile, the basophile, and the eosinophile mean values in the groups examined during 1927-28 were higher than in the groups of 1928-29.

  9. THE ACS LCID PROJECT. IV. DETECTION OF THE RED GIANT BRANCH BUMP IN ISOLATED GALAXIES OF THE LOCAL GROUP

    SciTech Connect

    Monelli, M.; Hidalgo, S. L; Aparicio, A.; Gallart, C.; Cassisi, S.; Bernard, E. J.; Skillman, E. D. E-mail: carme@iac.e E-mail: shidalgo@iac.e E-mail: ejb@roe.ac.u

    2010-08-01

    We report the detection and analysis of the red giant branch (RGB) luminosity function bump in a sample of isolated dwarf galaxies in the Local Group. We have designed a new analysis approach comparing the observed color-magnitude diagrams (CMDs) with theoretical best-fit CMDs derived from precise estimates of the star formation histories of each galaxy. This analysis is based on studying the difference between the V magnitude of the RGB bump and the horizontal branch at the level of the RR Lyrae instability strip ({Delta}V {sup bump}{sub HB}) and we discuss here a technique for reliably measuring this quantity in complex stellar systems. By using this approach, we find that the difference between the observed and predicted values of {Delta}V {sup bump}{sub HB} is +0.13 {+-} 0.14 mag. This is smaller, by about a factor of 2, than the well-known discrepancy between theory and observation at low metallicity commonly derived for Galactic globular clusters (GCs). This result is confirmed by a comparison between the adopted theoretical framework and empirical estimates of the {Delta}V {sup bump}{sub HB} parameter for both a large database of Galactic GCs and for four other dwarf spheroidal galaxies for which this estimate is available in the literature. We also investigate the strength of the RGB bump feature (R{sub bump}), and find very good agreement between the observed and theoretically predicted R{sub bump} values. This agreement supports the reliability of the evolutionary lifetimes predicted by theoretical models of the evolution of low-mass stars.

  10. Influence of Group IV and V Alloying Elements on the Microstructure Engineering and Deformation Behavior in Tantalum Carbides

    DTIC Science & Technology

    2015-04-06

    property potential. This program provided a fundamental series of studies to address how group IVB and VB metal carbide alloying brings about...vacancy ordered and fault-forming phases with metal -enrichment in Ta-C; the formation of vacancy ordered phase domains which are hypothesized to...transition metal group IVB carbides; transition metal group VB carbides; TEM; density functional theory; dislocations; phase stability 16. SECURITY

  11. Modeling of Internet Influence on Group Emotion

    NASA Astrophysics Data System (ADS)

    Czaplicka, Agnieszka; Hołyst, Janusz A.

    Long-range interactions are introduced to a two-dimensional model of agents with time-dependent internal variables ei = 0, ±1 corresponding to valencies of agent emotions. Effects of spontaneous emotion emergence and emotional relaxation processes are taken into account. The valence of agent i depends on valencies of its four nearest neighbors but it is also influenced by long-range interactions corresponding to social relations developed for example by Internet contacts to a randomly chosen community. Two types of such interactions are considered. In the first model the community emotional influence depends only on the sign of its temporary emotion. When the coupling parameter approaches a critical value a phase transition takes place and as result for larger coupling constants the mean group emotion of all agents is nonzero over long time periods. In the second model the community influence is proportional to magnitude of community average emotion. The ordered emotional phase was here observed for a narrow set of system parameters.

  12. The Architectural Chromatin Factor High Mobility Group A1 Enhances DNA Ligase IV Activity Influencing DNA Repair.

    PubMed

    Pellarin, Ilenia; Arnoldo, Laura; Costantini, Silvia; Pegoraro, Silvia; Ros, Gloria; Penzo, Carlotta; Triolo, Gianluca; Demarchi, Francesca; Sgarra, Riccardo; Vindigni, Alessandro; Manfioletti, Guidalberto

    2016-01-01

    The HMGA1 architectural transcription factor is an oncogene overexpressed in the vast majority of human cancers. HMGA1 is a highly connected node in the nuclear molecular network and the key aspect of HMGA1 involvement in cancer development is that HMGA1 simultaneously confers cells multiple oncogenic hits, ranging from global chromatin structural and gene expression modifications up to the direct functional alterations of key cellular proteins. Interestingly, HMGA1 also modulates DNA damage repair pathways. In this work, we provide evidences linking HMGA1 with Non-Homologous End Joining DNA repair. We show that HMGA1 is in complex with and is a substrate for DNA-PK. HMGA1 enhances Ligase IV activity and it counteracts the repressive histone H1 activity towards DNA ends ligation. Moreover, breast cancer cells overexpressing HMGA1 show a faster recovery upon induction of DNA double-strand breaks, which is associated with a higher survival. These data suggest that resistance to DNA-damaging agents in cancer cells could be partially attributed to HMGA1 overexpression thus highlighting the relevance of considering HMGA1 expression levels in the selection of valuable and effective pharmacological regimens.

  13. The Architectural Chromatin Factor High Mobility Group A1 Enhances DNA Ligase IV Activity Influencing DNA Repair

    PubMed Central

    Costantini, Silvia; Pegoraro, Silvia; Ros, Gloria; Penzo, Carlotta; Triolo, Gianluca; Demarchi, Francesca; Sgarra, Riccardo; Vindigni, Alessandro; Manfioletti, Guidalberto

    2016-01-01

    The HMGA1 architectural transcription factor is an oncogene overexpressed in the vast majority of human cancers. HMGA1 is a highly connected node in the nuclear molecular network and the key aspect of HMGA1 involvement in cancer development is that HMGA1 simultaneously confers cells multiple oncogenic hits, ranging from global chromatin structural and gene expression modifications up to the direct functional alterations of key cellular proteins. Interestingly, HMGA1 also modulates DNA damage repair pathways. In this work, we provide evidences linking HMGA1 with Non-Homologous End Joining DNA repair. We show that HMGA1 is in complex with and is a substrate for DNA-PK. HMGA1 enhances Ligase IV activity and it counteracts the repressive histone H1 activity towards DNA ends ligation. Moreover, breast cancer cells overexpressing HMGA1 show a faster recovery upon induction of DNA double-strand breaks, which is associated with a higher survival. These data suggest that resistance to DNA-damaging agents in cancer cells could be partially attributed to HMGA1 overexpression thus highlighting the relevance of considering HMGA1 expression levels in the selection of valuable and effective pharmacological regimens. PMID:27723831

  14. Effect of charge transfer on the local order in liquid group IV isoelectronic compounds: neutron diffraction data versus numerical tight-binding simulations

    SciTech Connect

    Prigent, G.; Bellissent, R.; Gaspard, J.-P.; Bichara, C.

    1999-06-15

    In a simple tight-binding approach, we consider the role of charge transfer and entropy in the semiconductor-to-metal transition which may occur upon melting group IV elements and their isoelectronic III-V and II-VI compounds. In the liquid state, entropy is shown to destabilise the diamond structure in favor of a metallic simple cubic-like local order, while charge transfer tends to keep the semiconducting tetrahedral local order of the solid state. These results are consistent with neutron diffraction data.

  15. Computational Model of the Mark-IV Electrorefiner: Two-Dimensional Potential and Current Distributions

    SciTech Connect

    Supathorn Phongikaroon; Steven Herrmann; Michael F. Simpson

    2011-02-01

    A computational model of the Mark-IV electrorefiner is currently being developed as a joint project between Idaho National Laboratory, Korea Atomic Energy Research Institute, Seoul National University, and the University of Idaho. As part of this model, the two-dimensional potential and current distributions within the molten salt electrolyte are calculated for U3+ , Zr4+ , and Pu3+ along with the total distributions, using the partial differential equation solver of the commercial Matlab software. The electrical conductivity of the electrolyte solution is shown to depend primarily on the composition of the electrolyte and to average 205 mho/m with a standard deviation of 2.5 × 10-5% throughout the electrorefining process. These distributions show that the highest potential gradients (thus, the highest current) exist directly between the two anodes and cathode. The total, uranium, and plutonium potential gradients are shown to increase throughout the process, with a slight decrease in that of zirconium. The distributions also show small potential gradients and very little current flow in the region far from the operating electrodes.

  16. Antinociceptive activity of astragaloside IV in the animal model of chronic constriction injury.

    PubMed

    Shi, Guo-Bing; Fan, Rong; Zhang, Wei; Yang, Chen; Wang, Qi; Song, Juan; Gao, Yue; Hou, Ming-Xiao; Chen, Yu-Feng; Wang, Tong-Chao; Cai, Guo-Jun

    2015-08-01

    To investigate the applicability of astragaloside IV (AG) for the treatment of refractory neuropathic pain, we systemically evaluated the antinociceptive activity of AG in the animal model of chronic constriction injury. We studied behaviors, electrophysiology, and biochemistry from day 2 to day 23 after the surgery. We found that when administered intraperitoneally at the dose of 60 mg/kg, AG caused significant inhibition of allodynia and hyperalgesia induced by mechanic and thermal stimuli as well as downregulation of the expressions of a series of proteins involved in mediating neuropathic pain in the dorsal root ganglia, such as P2X purinoceptor 3, glial cell-derived neurotrophic factor, glial cell-derived neurotrophic factor family receptor α1, and transient receptor potential cation channel subtypes A1 and V1. Further investigation showed that AG restored the nerve conduction velocity and the histological structure of the damaged sciatic nerve on day 23 after the surgery. Moreover, results from immunoelectron microscope showed that glial cell-derived neurotrophic factor family receptor α1 induced by AG could form a circular band in the myelin debris between the injured axons and Schwann cells, contributing toward restoration of the damaged nerve. In conclusion, in our animal model, AG effectively inhibited the neuropathic pain induced by chronic constriction injury.

  17. Developmental decline in modulation of glutamatergic synapses in layer IV of the barrel cortex by group II metabotropic glutamate receptors.

    PubMed

    Mateo, Z; Porter, J T

    2015-04-02

    Previously, we demonstrated that group II metabotropic glutamate receptors (mGluRs) reduce glutamate release from thalamocortical synapses during early postnatal development (P7-11). To further examine the role of group II mGluRs in the modulation of somatosensory circuitry, we determined whether group II mGluRs continue to modulate thalamocortical synapses until adulthood and whether these receptors also modulate intra-cortical synapses in the barrel cortex. To address these issues, we examined the effect of the group II mGluR agonists on thalamocortical excitatory postsynaptic currents (EPSCs) and intra-barrel EPSCs in slices from animals of different ages (P7-53). We found that the depression of thalamocortical EPSCs by group II mGluRs rapidly declined after the second postnatal week. In contrast, adenosine continued to depress thalamocortical EPSCs via a presynaptic mechanism in young adult mice (P30-50). Activation of group II mGluRs also reduced intra-barrel EPSCs through a postsynaptic mechanism in young mice (P7-11). Similar to the thalamocortical synapses, the group II mGluR modulation of intra-barrel excitatory synapses declined with development. In young adult animals (P30-50), group II mGluR stimulation had little effect on intra-barrel EPSCs but did hyperpolarize the neurons. Together our results demonstrate that group II mGluRs modulate barrel cortex circuitry by presynaptic and postsynaptic mechanisms depending on the source of the synapse and that this modulation declines with development.

  18. Mechanical, Mathematical, and Computer Modeling in Penetration Mechanics - IV (Hybrid Models for Nanostructured Ceramics - II)

    DTIC Science & Technology

    2006-11-30

    model of penetration of long elastically deformable projectiles into semi- infinite targets 3 Introduction 3 1. Basic model equations of penetration...of non- deformable projectiles into semi-infinite target 4 1.1. Geometrical scheme of penetration model of non- deformable projectile 4 1.2. Velocity...c. 20 1.3. Pulverized region (a < r < b). 22 2. Example 25 III. Investigation of deformation process at high-speed loadings of ceramic materials

  19. Convergence between DSM-IV-TR and DSM-5 diagnostic models for personality disorder: evaluation of strategies for establishing diagnostic thresholds.

    PubMed

    Morey, Leslie C; Skodol, Andrew E

    2013-05-01

    The Personality and Personality Disorders Work Group for the Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition (DSM-5) recommended substantial revisions to the personality disorders (PDs) section of DSM-IV-TR, proposing a hybrid categorical-dimensional model that represented PDs as combinations of core personality dysfunctions and various configurations of maladaptive personality traits. Although the DSM-5 Task Force endorsed the proposal, the Board of Trustees of the American Psychiatric Association (APA) did not, placing the Work Group's model in DSM-5 Section III ("Emerging Measures and Models") with other concepts thought to be in need of additional research. This paper documents the impact of using this alternative model in a national sample of 337 patients as described by clinicians familiar with their cases. In particular, the analyses focus on alternative strategies considered by the Work Group for deriving decision rules, or diagnostic thresholds, with which to assign categorical diagnoses. Results demonstrate that diagnostic rules could be derived that yielded appreciable correspondence between DSM-IV-TR and proposed DSM-5 PD diagnoses-correspondence greater than that observed in the transition between DSM-III and DSM-III-R PDs. The approach also represents the most comprehensive attempt to date to provide conceptual and empirical justification for diagnostic thresholds utilized within the DSM PDs.

  20. Multilevel Modeling for Research in Group Work

    ERIC Educational Resources Information Center

    Selig, James P.; Trott, Arianna; Lemberger, Matthew E.

    2017-01-01

    Researchers in group counseling often encounter complex data from individual clients who are members of a group. Clients in the same group may be more similar than clients from different groups and this can lead to violations of statistical assumptions. The complexity of the data also means that predictors and outcomes can be measured at both the…

  1. RAGBEEF: a FORTRAN IV implementation of a time-dependent model for radionuclide contamination of beef

    SciTech Connect

    Pleasant, J C; McDowell-Boyer, L M; Killough, G G

    1982-06-01

    RAGBEEF is a FORTRAN IV program that calculates radionuclide concentrations in beef as a result of ingestion of contaminated feeds, pasture, and pasture soil by beef cattle. The model implemented by RAGBEEF is dynamic in nature, allowing the user to consider age- and season-dependent aspects of beef cattle management in estimating concentrations in beef. It serves as an auxiliary code to RAGTIME, previously documented by the authors, which calculates radionuclide concentrations in agricultural crops in a dynamic manner, but evaluates concentrations in beef for steady-state conditions only. The time-dependent concentrations in feeds, pasture, and pasture soil generated by RAGTIME are used as input to the RAGBEEF code. RAGBEEF, as presently implemented, calculates radionuclide concentrations in the muscle of age-based cohorts in a beef cattle herd. Concentrations in the milk of lactating cows are also calculated, but are assumed age-dependent as in RAGTIME. Radionuclide concentrations in beef and milk are described in RAGBEEF by a system of ordinary linear differential equations in which the transfer rate of radioactivity between compartments is proportional to the inventory of radioactivity in the source compartment. This system is solved by use of the GEAR package for solution of systems of ordinary differential equations. The accuracy of this solution is monitored at various check points by comparison with explicit solutions of Bateman-type equations. This report describes the age- and season-dependent considerations making up the RAGBEEF model, as well as presenting the equations which describe the model and a documentation of the associated computer code. Listings of the RAGBEEF and updated RAGTIME codes are provided in appendices, as are the results of a sample run of RAGBEEF and a description of recent modifications to RAGTIME.

  2. Band Gap Characters and Ferromagnetic/Antiferromagnetic Coupling in Group-IV Monolayers Tuned by Chemical Species and Hydrogen Adsorption Configurations.

    PubMed

    Yu, Wen-Zhe; Yan, Jia-An; Gao, Shang-Peng

    2015-12-01

    One-side semihydrogenated monolayers of carbon, silicon, germanium, and their binary compounds with different configurations of hydrogen atoms are investigated by density functional theory. Among three considered configurations, zigzag, other than the most studied chair configuration, is energetically the most favorable structure of one-side semihydrogenation. Upon semihydrogenation, the semimetallic silicene, germanene, and SiGe become semiconductors, while the band gap in semiconducting SiC and GeC is reduced. Semihydrogenated silicene, germanene, SiGe, and GeC with chair configuration are found to be ferromagnetic semiconductors. For semihydrogenated SiC, it is ferromagnetic when all hydrogen atoms bond with silicon atoms, while an antiferromagnetic coupling is predicted when all hydrogen atoms bond with carbon atoms. The effect of interatomic distance between two neighboring magnetic atoms to the ferromagnetic or antiferromagnetic coupling is studied. For comparison, properties of one-side and both-side fully hydrogenated group-IV monolayers are also calculated. All fully hydrogenated group-IV monolayers are nonmagnetic semiconductors with band gaps larger than those of their semihydrogenated counterparts.

  3. Lattice Thermal Conductivity of the Binary and Ternary Group-IV Alloys Si-Sn, Ge-Sn, and Si-Ge-Sn

    NASA Astrophysics Data System (ADS)

    Khatami, S. N.; Aksamija, Z.

    2016-07-01

    Efficient thermoelectric (TE) energy conversion requires materials with low thermal conductivity and good electronic properties. Si-Ge alloys, and their nanostructures such as thin films and nanowires, have been extensively studied for TE applications; other group-IV alloys, including those containing Sn, have not been given as much attention as TEs, despite their increasing applications in other areas including optoelectronics. We study the lattice thermal conductivity of binary (Si-Sn and Ge-Sn) and ternary (Si-Ge-Sn) alloys and their thin films in the Boltzmann transport formalisms, including a full phonon dispersion and momentum-dependent boundary-roughness scattering. We show that Si-Sn alloys have the lowest conductivity (3 W /mK ) of all the bulk alloys, more than 2 times lower than Si-Ge, attributed to the larger difference in mass between the two constituents. In addition, we demonstrate that thin films offer an additional reduction in thermal conductivity, reaching around 1 W /mK in 20-nm-thick Si-Sn, Ge-Sn, and ternary Si-Ge-Sn films, which is near the conductivity of amorphous SiO2 . We conclude that group-IV alloys containing Sn have the potential for high-efficiency TE energy conversion.

  4. Therapy targeted to the metastatic niche is effective in a model of stage IV breast cancer

    PubMed Central

    Yoo, Byunghee; Kavishwar, Amol; Wang, Ping; Ross, Alana; Pantazopoulos, Pamela; Dudley, Michael; Moore, Anna; Medarova, Zdravka

    2017-01-01

    Treatment of stage IV metastatic breast cancer patients is limited to palliative options and represents an unmet clinical need. Here, we demonstrate that pharmacological inhibition of miRNA-10b - a master regulator of metastatic cell viability – leads to elimination of distant metastases in a mouse model of metastatic breast cancer. This was achieved using the miRNA-10b inhibitory nanodrug, MN-anti-miR10b, which consists of magnetic nanoparticles, conjugated to LNA-based miR-10b antagomirs. Intravenous injection of MN-anti-miR10b into mice bearing lung, bone, and brain metastases from breast cancer resulted in selective accumulation of the nanodrug in metastatic tumor cells. Weekly treatments of mice with MN-anti-miR-10b and low-dose doxorubicin resulted in complete regression of pre-existing distant metastases in 65% of the animals and a significant reduction in cancer mortality. These observations were supported by dramatic reduction in proliferation and increase in apoptosis in metastatic sites. On a molecular level, we observed a significant increase in the expression of HOXD10, which is a known target of miRNA-10b. These results represent first steps into the uncharted territory of therapy targeted to the metastatic niche. PMID:28322342

  5. Generation IV benchmarking of TRISO fuel performance models under accident conditions: Modeling input data

    SciTech Connect

    Collin, Blaise P.

    2014-09-01

    This document presents the benchmark plan for the calculation of particle fuel performance on safety testing experiments that are representative of operational accidental transients. The benchmark is dedicated to the modeling of fission product release under accident conditions by fuel performance codes from around the world, and the subsequent comparison to post-irradiation experiment (PIE) data from the modeled heating tests. The accident condition benchmark is divided into three parts: the modeling of a simplified benchmark problem to assess potential numerical calculation issues at low fission product release; the modeling of the AGR-1 and HFR-EU1bis safety testing experiments; and, the comparison of the AGR-1 and HFR-EU1bis modeling results with PIE data. The simplified benchmark case, thereafter named NCC (Numerical Calculation Case), is derived from ''Case 5'' of the International Atomic Energy Agency (IAEA) Coordinated Research Program (CRP) on coated particle fuel technology [IAEA 2012]. It is included so participants can evaluate their codes at low fission product release. ''Case 5'' of the IAEA CRP-6 showed large code-to-code discrepancies in the release of fission products, which were attributed to ''effects of the numerical calculation method rather than the physical model''[IAEA 2012]. The NCC is therefore intended to check if these numerical effects subsist. The first two steps imply the involvement of the benchmark participants with a modeling effort following the guidelines and recommendations provided by this document. The third step involves the collection of the modeling results by Idaho National Laboratory (INL) and the comparison of these results with the available PIE data. The objective of this document is to provide all necessary input data to model the benchmark cases, and to give some methodology guidelines and recommendations in order to make all results suitable for comparison with each other. The participants should read this document

  6. GEN-IV BENCHMARKING OF TRISO FUEL PERFORMANCE MODELS UNDER ACCIDENT CONDITIONS MODELING INPUT DATA

    SciTech Connect

    Collin, Blaise Paul

    2016-09-01

    This document presents the benchmark plan for the calculation of particle fuel performance on safety testing experiments that are representative of operational accidental transients. The benchmark is dedicated to the modeling of fission product release under accident conditions by fuel performance codes from around the world, and the subsequent comparison to post-irradiation experiment (PIE) data from the modeled heating tests. The accident condition benchmark is divided into three parts: • The modeling of a simplified benchmark problem to assess potential numerical calculation issues at low fission product release. • The modeling of the AGR-1 and HFR-EU1bis safety testing experiments. • The comparison of the AGR-1 and HFR-EU1bis modeling results with PIE data. The simplified benchmark case, thereafter named NCC (Numerical Calculation Case), is derived from “Case 5” of the International Atomic Energy Agency (IAEA) Coordinated Research Program (CRP) on coated particle fuel technology [IAEA 2012]. It is included so participants can evaluate their codes at low fission product release. “Case 5” of the IAEA CRP-6 showed large code-to-code discrepancies in the release of fission products, which were attributed to “effects of the numerical calculation method rather than the physical model” [IAEA 2012]. The NCC is therefore intended to check if these numerical effects subsist. The first two steps imply the involvement of the benchmark participants with a modeling effort following the guidelines and recommendations provided by this document. The third step involves the collection of the modeling results by Idaho National Laboratory (INL) and the comparison of these results with the available PIE data. The objective of this document is to provide all necessary input data to model the benchmark cases, and to give some methodology guidelines and recommendations in order to make all results suitable for comparison with each other. The participants should read

  7. Particle Tracking Model (PTM) in the SMS 10: IV. Link to Coastal Modeling System

    DTIC Science & Technology

    2008-07-01

    CMS- M2D : Version 3.0; Report 2: Sediment transport and morphology change. ERDC/CHL TR-06-7. Vicksburg, MS: U.S. Army Engineer Research and...W. Reed, A. K. Zundel, and N. C. Kraus. 2004. Two-dimensional depth-averaged circulation model CMS- M2D : Version 2.0; Report 1: Technical

  8. Special Programs in Medical Library Education, 1957-1971: Part IV. Career Characteristics of Two Groups of Medical Librarians *†

    PubMed Central

    Roper, Fred W.

    1974-01-01

    This final report compares career characteristics of former trainees employed in medical libraries in 1971 with those of another group of professional medical librarians who did not enter medical librarianship from special training programs. Career characteristics include career advancement (position level, number of people supervised, salary level), professional utilization (tasks perforṁed), and professional activity (association memberships and offices, number of journals read, continuing education activity). The comparison of characteristics for the two groups showed many similarities. A major difference appeared in the career advancement comparison. For the former trainees, economic advancement seems less dependent on upward movement in line positions. This suggests the possibility of two career tracks available to them. PMID:4462688

  9. “Structural Transformations in Ceramics: Perovskite-like Oxides and Group III, IV, and V Nitrides”

    SciTech Connect

    James P. Lewis , Dorian M. Hatch , and Harold T. Stokes

    2006-12-31

    1 Overview of Results and their Significance Ceramic perovskite-like oxides with the general formula (A. A0. ...)(B. B0. ...)O3and titanium-based oxides are of great technological interest because of their large piezoelectric and dielectric response characteristics.[1] In doped and nanoengineered forms, titantium dioxide finds increasing application as an organic and hydrolytic photocatalyst. The binary main-group-metal nitride compounds have undergone recent advancements of in-situ heating technology in diamond anvil cells leading to a burst of experimental and theoretical interest. In our DOE proposal, we discussed our unique theoretical approach which applies ab initio electronic calculations in conjunction with systematic group-theoretical analysis of lattice distortions to study two representative phase transitions in ceramic materials: (1) displacive phase transitions in primarily titanium-based perovskite-like oxide ceramics, and (2) reconstructive phase transitions in main-group nitride ceramics. A sub area which we have explored in depth is doped titanium dioxide electrical/optical properties.

  10. Diversity Competent Group Work Supervision: An Application of the Supervision of Group Work Model (SGW)

    ERIC Educational Resources Information Center

    Okech, Jane E. Atieno; Rubel, Deborah

    2007-01-01

    This article emphasizes the need for concrete descriptions of supervision to promote diversity-competent group work and presents an application of the supervision of group work model (SGW) to this end. The SGW, a supervision model adapted from the discrimination model, is uniquely suited for promoting diversity competence in group work, since it…

  11. Mutual passivation of group IV donors and isovalent nitrogen in diluted GaN{sub x}As{sub 1-x} alloys

    SciTech Connect

    Yu, K.M.; Wu, J.; Walukiewicz, W.; Shan, W.; Beeman, J.; Mars, D.E.; Chamberlin, D.R.; Scarpulla, M.A.; Dubon, O.D.; Ridgway, M.C.; Geisz, J.F.

    2003-07-23

    We demonstrate the mutual passivation of electrically active group IV donors and isovalent N atoms in the GaN{sub x}As{sub 1-x} alloy system. This phenomenon occurs through the formation of a donor-nitrogen bond in the nearest neighbor IV{sub Ga}-N{sub As} pairs. In Si doped GaInN{sub 0.017}As{sub 0.983} the electron concentration starts to decrease rapidly at an annealing temperature of 700 C from {approx} 3 x 10{sup 19}cm{sup -3} in the as-grown state to less than 10{sup 16}cm{sup -3} after an annealing at 900 C for 10 s. At the same time annealing of this sample at 950 C increases the gap by about 35 meV, corresponding to a reduction of the concentration of the active N atoms by an amount very close to the total Si concentration. We also show that the formation of Si{sub Ga}-N{sub As} pairs is controlled by the diffusion of Si via Ga vacancies to the nearest N{sub As} site. The general nature of this mutual passivation effect is confirmed by our study of Ge doped GaN{sub x}As{sub 1-x} layers formed by N and Ge co-implantation in GaAs followed by pulsed laser melting.

  12. Population studies in groups and clusters of galaxies. IV - Comparison of the luminosity functions and morphological-type distributions in seven nearby groups

    NASA Technical Reports Server (NTRS)

    Ferguson, Henry C.; Sandage, Allan

    1991-01-01

    Published observational data on the Leo, Dorado, NGC 1400, NGC 5044, Antlia, Fornax, and Virgo groups of galaxies are analyzed in terms of the luminosity functions and morphological types of their members. The data sets employed are characterized, and the results are presented in extensive tables and graphs and discussed in detail. While the fractions of early and late galaxies in the groups are similar, the ratio of dwarfs to giants (D/G) in the early galaxies varies monotonically with the richness of the cluster, leading to artificial flattening at the faint end of the total luminosity function in environments with low D/G. The luminosity function for dwarfs in all environments is found to have a slope of about -1.3.

  13. Population studies in groups and clusters of galaxies. IV. Comparison of the luminosity functions and morphological-type distributions in seven nearby groups

    SciTech Connect

    Ferguson, H.C.; Sandage, A. Observatories of the Carnegie Institution, Pasadena, CA Space Telescope Science Institute, Baltimore, MD )

    1991-03-01

    Published observational data on the Leo, Dorado, NGC 1400, NGC 5044, Antlia, Fornax, and Virgo groups of galaxies are analyzed in terms of the luminosity functions and morphological types of their members. The data sets employed are characterized, and the results are presented in extensive tables and graphs and discussed in detail. While the fractions of early and late galaxies in the groups are similar, the ratio of dwarfs to giants (D/G) in the early galaxies varies monotonically with the richness of the cluster, leading to artificial flattening at the faint end of the total luminosity function in environments with low D/G. The luminosity function for dwarfs in all environments is found to have a slope of about -1.3. 54 refs.

  14. Nomenclatural Studies Toward a World List of Diptera Genus-Group Names. Part IV: Charles Henry Tyler Townsend.

    PubMed

    Evenhuis, Neal L; Pont, Adrian C; Whitmore, Daniel

    2015-06-25

    The Diptera genus-group names of Charles Henry Tyler Townsend are reviewed and annotated. A total of 1506 available genus-group names in 12 families of Diptera are listed alphabetically for each name, giving author, year and page of original publication, originally included species, type species and method of fixation, current status of the name, family placement, and a list of any emendations of it that have been found in the literature. Remarks are given to clarify nomenclatural and/or taxonomic information. In addition, an index to all the species-group names of Diptera proposed by Townsend (1595, of which 1574 are available names) is given with bibliographic reference (year and page) to each original citation. An appendix with a full bibliography of almost 650 papers written by Townsend is presented with accurate dates of publication.        Two new replacement names are proposed for preoccupied genus-group names and both are named to honor our good friend and colleague, James E. O'Hara, for his decades of work on tachinids: Oharamyia Evenhuis, Pont & Whitmore, n. name, for Lindigia Townsend, 1931 [Tachinidae] (preoccupied by Karsten, 1858); Jimimyia Evenhuis, Pont & Whitmore, n. name, for Siphonopsis Townsend, 1916 [Tachinidae] (preoccupied by Agassiz, 1846).        Earlier dates of availability are found for the following: Eucnephalia Townsend, 1892 [Tachinidae]; Gabanimyia Townsend, 1914 [Tachinidae]; Incamyia Townsend, 1912 [Tachinidae]; Muscopteryx Townsend, 1892 [Tachinidae]; Philippolophosia Townsend, 1927 [Tachinidae]; Pseudokea Townsend, 1927 [Tachinidae].        Corrected or clarified included species and/or corrected or clarified type-species and methods of typification are given for: Alitophasia Townsend, 1934 [Tachinidae]; Almugmyia Townsend, 1911 [Tachinidae]; Arachnidomyia Townsend, 1934 [Sarcophagidae]; Austenina Townsend, 1921 [Glossinidae]; Austrohartigia Townsend, 1937 [Sarcophagidae]; Awatia Townsend, 1921 [Muscidae

  15. Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV Inhibitors.

    PubMed

    Çifci, Gülşah; Aviyente, Viktorya; Akten, E Demet

    2012-07-01

    In this study, pharmacophore modelling was carried out for novel PhosphodiesteraseIV (PDEIV) inhibitors. A pharmacophore-based virtual screening, which resulted in 1959 hit compounds was performed with six chemical databases. The pharmacophore screening was proven to be successful in discriminating active and inactive inhibitors using a set of compounds with known activity obtained from ChEMBL database. Furthermore, the Lipinski's rule of five was applied for physicochemical filtering of the hit molecules and this yielded 1840 compounds. Three docking software tools, AutoDock 4.0, AutoDock Vina, and Gold v5.1 were used for the docking process. All 1840 compounds and the known selective inhibitor, rolipram, were docked into the active site of the target protein. A total of 234 compounds with all three scoring values higher than those of rolipram were determined with the three docking tools. The interaction maps of 14 potent inhibitors complexed with PDEIV B and D isoforms have been analyzed and seven key residues (Asn 395, Gln 443, Tyr 233, Ile 410, Phe 446, Asp 392, Thr 407) were found to interact with more than 80 % of the potent inhibitors. For each one of the 234 hit compounds, using the bound conformation with the highest AutoDock score, the interacting residues were determined. 117 out of 234 compounds are found to interact with at least five of the seven key residues and these were selected for further evaluation. The conformation with the highest AutoDock score for each 117 compounds were rescored using the DSX scoring function. This yielded a total of 101 compounds with better score values than the natural ligand rolipram. For ADME/TOX calculations, the FAF-Drugs2 server was used and 32 out of 101 compounds were found to be non-toxic.

  16. Latent factor regression models for grouped outcomes.

    PubMed

    Woodard, D B; Love, T M T; Thurston, S W; Ruppert, D; Sathyanarayana, S; Swan, S H

    2013-09-01

    We consider regression models for multiple correlated outcomes, where the outcomes are nested in domains. We show that random effect models for this nested situation fit into a standard factor model framework, which leads us to view the modeling options as a spectrum between parsimonious random effect multiple outcomes models and more general continuous latent factor models. We introduce a set of identifiable models along this spectrum that extend an existing random effect model for multiple outcomes nested in domains. We characterize the tradeoffs between parsimony and flexibility in this set of models, applying them to both simulated data and data relating sexually dimorphic traits in male infants to explanatory variables. © 2013, The International Biometric Society.

  17. Coverage of the DSM-IV-TR/DSM-5 Section II Personality Disorders With the DSM-5 Dimensional Trait Model.

    PubMed

    Rojas, Stephanie L; Widiger, Thomas A

    2017-08-01

    Section III of DSM-5, for emerging measures and models, includes a five-domain, 25-trait model, assessed by the Personality Inventory for DSM-5. A primary concern with respect to the trait model is its coverage of the DSM-IV-TR personality disorder syndromes (all of which were retained in DSM-5). The current study considered not only total scale scores of three independent measures of DSM-IV-TR personality disorders but also the coverage of each diagnostic criterion included within six personality disorders: antisocial, borderline, avoidant, dependent, narcissistic, and obsessive-compulsive. Participants were 425 community adults, all of whom had received mental health treatment (36% currently; 75% within the past year). Results provided support for the coverage of the diagnostic criteria for the antisocial, borderline, avoidant, dependent, and narcissistic personality disorders. Coverage could perhaps be improved for a few of the criteria for obsessive-compulsive personality disorder.

  18. Sensitivity of Urban Airshed Model (UAM-IV) calculated air pollutant concentrations to the vertical diffusion parameterization during convective meteorological situations

    SciTech Connect

    Nowacki, P.; Samson, P.J.; Sillman, S.

    1996-10-01

    It is shown that Urban Airshed Model (UAM-IV) calculated air pollutant concentrations during photochemical smog episodes in Atlanta, Georgia, depend strongly on the numerical parameterization of the daytime vertical diffusivity. Results found suggest that vertical mixing is overestimated by the UAM-IV during unstable daytime conditions, as calculated vertical diffusivity values exceed measured and comparable literature values. Although deviations between measured and UAM-IV calculated air pollutant concentrations may only in part be due the UAM-IV diffusivity parameterization, results indicate the large error potential in vertical diffusivity parameterization. Easily implemented enhancements to UAM-IV algorithms are proposed, thus improving UAM-IV modeling performance during unstable stratification. 38 refs., 14 figs., 1 tab.

  19. Primary metastatic Ewing's family tumors: results of the Italian Sarcoma Group and Scandinavian Sarcoma Group ISG/SSG IV Study including myeloablative chemotherapy and total-lung irradiation.

    PubMed

    Luksch, R; Tienghi, A; Hall, K Sundby; Fagioli, F; Picci, P; Barbieri, E; Gandola, L; Eriksson, M; Ruggieri, P; Daolio, P; Lindholm, P; Prete, A; Bisogno, G; Tamburini, A; Grignani, G; Abate, M E; Podda, M; Smeland, S; Ferrari, S

    2012-11-01

    The Italian Sarcoma Group and the Scandinavian Sarcoma Group designed a joint study to improve the prognosis for patients with Ewing's family tumors and synchronous metastatic disease limited to the lungs, or the pleura, or a single bone. The study was opened in 1999 and closed to the enrollment in 2008. The program consisted of intensive five-drug combination chemotherapy, surgery and/or radiotherapy as local treatment, and consolidation treatment with high-dose busulfan/melphalan plus autologous stem cell rescue and total-lung irradiation. During the study period, 102 consecutive patients were enrolled. The median follow-up was 62 months (range 24-124). The 5-year event-free survival probability was 0.43 [standard deviation (SD) = 0.05] and the 5-year overall survival probability was 0.52 (SD = 0.052). Unfavorable prognostic factors emerging on multivariate analysis were a poor histological/radiological response at the site of the primary tumor [relative risk (RR) = 3.4], and incomplete radiological remission of lung metastases after primary chemotherapy (RR = 2.6). One toxic death and one secondary leukemia were recorded. This intensive approach is feasible and long-term survival is achievable in ∼50% of patients. New treatment approaches are warranted for patients responding poorly to primary chemotherapy.

  20. I.V. infusion of brain-derived neurotrophic factor gene-modified human mesenchymal stem cells protects against injury in a cerebral ischemia model in adult rat.

    PubMed

    Nomura, T; Honmou, O; Harada, K; Houkin, K; Hamada, H; Kocsis, J D

    2005-01-01

    I.V. delivery of mesenchymal stem cells prepared from adult bone marrow reduces infarction size and ameliorates functional deficits in rat cerebral ischemia models. Administration of the brain-derived neurotrophic factor to the infarction site has also been demonstrated to be neuroprotective. To test the hypothesis that brain-derived neurotrophic factor contributes to the therapeutic benefits of mesenchymal stem cell delivery, we compared the efficacy of systemic delivery of human mesenchymal stem cells and human mesenchymal stem cells transfected with a fiber-mutant F/RGD adenovirus vector with a brain-derived neurotrophic factor gene (brain-derived neurotrophic factor-human mesenchymal stem cells). A permanent middle cerebral artery occlusion was induced by intraluminal vascular occlusion with a microfilament. Human mesenchymal stem cells and brain-derived neurotrophic factor-human mesenchymal stem cells were i.v. injected into the rats 6 h after middle cerebral artery occlusion. Lesion size was assessed at 6 h, 1, 3 and 7 days using MR imaging, and histological methods. Functional outcome was assessed using the treadmill stress test. Both human mesenchymal stem cells and brain-derived neurotrophic factor-human mesenchymal stem cells reduced lesion volume and elicited functional improvement compared with the control sham group, but the effect was greater in the brain-derived neurotrophic factor-human mesenchymal stem cell group. ELISA analysis of the infarcted hemisphere revealed an increase in brain-derived neurotrophic factor in the human mesenchymal stem cell groups, but a greater increase in the brain-derived neurotrophic factor-human mesenchymal stem cell group. These data support the hypothesis that brain-derived neurotrophic factor contributes to neuroprotection in cerebral ischemia and cellular delivery of brain-derived neurotrophic factor can be achieved by i.v. delivery of human mesenchymal stem cells.

  1. The effect of dipeptidyl peptidase-IV inhibition on bone in a mouse model of type 2 diabetes

    PubMed Central

    Gallagher, Emily Jane; Sun, Hui; Kornhauser, Caroline; Tobin-Hess, Aviva; Epstein, Sol; Yakar, Shoshana; LeRoith, Derek

    2017-01-01

    Background Individuals with type 2 diabetes (T2D) are at greater risk of bone fractures than those without diabetes. Certain oral diabetic medications may further increase the risk of fracture. Dipeptidyl peptidase-IV (DPP-IV) inhibitors are incretin-based therapies that are being increasingly used for the management of T2D. It has been hypothesized that these agents may reduce fracture risk in those with T2D. In this study, we used a mouse model of T2D to examine the effects of the DPP-IV inhibitor, MK-0626, on bone. Methods Male wild type (WT) and diabetic muscle-lysine-arginine (MKR) mice were treated with MK-0626, pioglitazone, alendronate or vehicle. The effects of treatment with MK-0626 on bone microarchitecture and turnover were compared with treatment with pioglitazone, alendronate and vehicle. Osteoblast differentiation was determined by alkaline phosphatase staining of bone marrow cells from WT and MKR mice after treatment with pioglitazone, MK-0626 or phosphate buffered saline. Results We found that MK-0626 had neutral effects on cortical and trabecular bone in diabetic mice. Pioglitazone had detrimental effects on the trabecular bone of WT but not of diabetic mice. Alendronate caused improvements in cortical and trabecular bone architecture in diabetic and WT mice. MK-0626 did not alter osteoblast differentiation, but pioglitazone impaired osteoblast differentiation in vitro. Conclusions Overall, the DPP-IV inhibitor, MK-0626, had no adverse effects on bone in an animal model of T2D or directly on osteoblasts in culture. These findings are reassuring as DPP-IV inhibitors are being widely used to treat patients with T2D who are already at an increased risk of fractures. PMID:24023014

  2. All-electron molecular Dirac-Hartree-Fock calculations: Properties of the group IV monoxides GeO, SnO and PbO

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1991-01-01

    Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

  3. All-electron molecular Dirac-Hartree-Fock calculations - Properties of the group IV monoxides GeO, SnO, and PbO

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1993-01-01

    Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

  4. All-electron molecular Dirac-Hartree-Fock calculations - Properties of the group IV monoxides GeO, SnO, and PbO

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1993-01-01

    Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

  5. Budget model can aid group practice planning.

    PubMed

    Bender, A D

    1991-12-01

    A medical practice can enhance its planning by developing a budgetary model to test effects of planning assumptions on its profitability and cash requirements. A model focusing on patient visits, payment mix, patient mix, and fee and payment schedules can help assess effects of proposed decisions. A planning model is not a substitute for planning but should complement a plan that includes mission, goals, values, strategic issues, and different outcomes.

  6. Group Centric Information Sharing Using Hierarchical Models

    DTIC Science & Technology

    2011-01-01

    Baltimore, MD, USA (June 2010 – Aug 2010). Programmer Analyst, Cognizant Technology Solutions, Chennai , India (Nov 2008 – July 2009...CollaborateCom), Crystal City , Virginia, November 11-14, 2009, pages 1-10. [3] Ravi Sandhu, Ram Krishnan, Jianwei Niu and William Winsborough, Group

  7. Group Modeling in Social Learning Environments

    ERIC Educational Resources Information Center

    Stankov, Slavomir; Glavinic, Vlado; Krpan, Divna

    2012-01-01

    Students' collaboration while learning could provide better learning environments. Collaboration assumes social interactions which occur in student groups. Social theories emphasize positive influence of such interactions on learning. In order to create an appropriate learning environment that enables social interactions, it is important to…

  8. Group Modeling in Social Learning Environments

    ERIC Educational Resources Information Center

    Stankov, Slavomir; Glavinic, Vlado; Krpan, Divna

    2012-01-01

    Students' collaboration while learning could provide better learning environments. Collaboration assumes social interactions which occur in student groups. Social theories emphasize positive influence of such interactions on learning. In order to create an appropriate learning environment that enables social interactions, it is important to…

  9. New triorganotin (IV) derivatives of dipeptides as models for metal-protein interactions: Synthesis, structural characterization and biological studies

    NASA Astrophysics Data System (ADS)

    Nath, Mala; Pokharia, Sandeep; Eng, George; Song, Xueqing; Kumar, Ashok

    2006-01-01

    New non-electrolytic triorganotin(IV) derivatives of dipeptides with general formulae R3Sn(HL), where R = Ph and HL = monoanion of glycylisoleucine (H2L-1), valylvaline (H2L-2), alanylvaline (H2L-3), leucylalanine (H2L-4), leucylleucine (H2L-5); R = n-Bu and HL = monoanion of glycylisoleucine (H2L-1) and leucylalanine (H2L-4); and R = Me and HL = monoanion of leucylalanine (H2L-4) have been synthesized and characterized on the basis of infrared, multinuclear 1H, 13C and 119Sn NMR and 119Sn Mössbauer spectroscopic studies. These investigations suggest that all the ligands in R3Sn(HL) act as monoanionic bidentates coordinating through the COO- and NH2 groups. The 119Sn Mössbauer studies, together with the NMR data, indicate that, for these polymeric derivatives, the polyhedron around tin in R3Sn(HL) is a trigonal-bipyramid with the three organic groups in the equatorial positions, while the axial positions are occupied by a carboxylic oxygen and the amino nitrogen atom from the adjacent molecule. The anti-inflammatory and cardiovascular activities and toxicity of all these compounds have been determined. Four of the complexes have also been screened against some of the chosen bacterial and fungal strains. The Ph3Sn(IV) compounds exhibit better anti-inflammatory and cardiovascular activities in comparison to the Me3Sn(IV) and n-Bu3Sn(IV) analogues. n-Bu3Sn(Gly-Ile) and Ph3Sn(Ala-Val) exhibit good antibacterial activity against all the chosen strains.

  10. Combination radiofrequency (RF) ablation and IV liposomal heat shock protein suppression: Reduced tumor growth and increased animal endpoint survival in a small animal tumor model

    PubMed Central

    Yang, Wei; Ahmed, Muneeb; Tasawwar, Beenish; Levchenko, Tatynana; Sawant, Rupa R.; Torchilin, Vladimir; Goldberg, S. Nahum

    2012-01-01

    Background To investigate the effect of IV liposomal quercetin (a known down-regulator of heat shock proteins) alone and with liposomal doxorubicin on tumor growth and end-point survival when combined with radiofrequency (RF) tumor ablation in a rat tumor model. Methods Solitary subcutaneous R3230 mammary adenocarcinoma tumors (1.3–1.5 cm) were implanted in 48 female Fischer rats. Initially, 32 tumors (n=8, each group) were randomized into four experimental groups: (a) conventional monopolar RF alone (70°C for 5 min), (b) IV liposomal quercetin alone (1 mg/kg), (c) IV liposomal quercetin followed 24hr later with RF, and (d) no treatment. Next, 16 additional tumors were randomized into two groups (n=8, each) that received a combined RF and liposomal doxorubicin (15 min post-RF, 8 mg/kg) either with or without liposomal quercetin. Kaplan-Meier survival analysis was performed using a tumor diameter of 3.0 cm as the defined survival endpoint. Results Differences in endpoint survival and tumor doubling time among the groups were highly significant (P<0.001). Endpoint survivals were 12.5±2.2 days for the control group, 16.6±2.9 days for tumors treated with RF alone, 15.5±2.1days for tumors treated with liposomal quercetin alone, and 22.0±3.9 days with combined RF and quercetin. Additionally, combination quercetin/RF/doxorubicin therapy resulted in the longest survival (48.3±20.4 days), followed by RF/doxorubicin (29.9±3.8 days). Conclusions IV liposomal quercetin in combination with RF ablation reduces tumor growth rates and improves animal endpoint survival. Further increases in endpoint survival can be seen by adding an additional anti-tumor adjuvant agent liposomal doxorubicin. This suggests that targeting several post-ablation processes with multi-drug nanotherapies can increase overall ablation efficacy. PMID:22230341

  11. Combination radiofrequency (RF) ablation and IV liposomal heat shock protein suppression: reduced tumor growth and increased animal endpoint survival in a small animal tumor model.

    PubMed

    Yang, Wei; Ahmed, Muneeb; Tasawwar, Beenish; Levchenko, Tatynana; Sawant, Rupa R; Torchilin, Vladimir; Goldberg, S Nahum

    2012-06-10

    To investigate the effect of IV liposomal quercetin (a known down-regulator of heat shock proteins) alone and with liposomal doxorubicin on tumor growth and end-point survival when combined with radiofrequency (RF) tumor ablation in a rat tumor model. Solitary subcutaneous R3230 mammary adenocarcinoma tumors (1.3-1.5 cm) were implanted in 48 female Fischer rats. Initially, 32 tumors (n=8, each group) were randomized into four experimental groups: (a) conventional monopolar RF alone (70°C for 5 min), (b) IV liposomal quercetin alone (1 mg/kg), (c) IV liposomal quercetin followed 24hr later with RF, and (d) no treatment. Next, 16 additional tumors were randomized into two groups (n=8, each) that received a combined RF and liposomal doxorubicin (15 min post-RF, 8 mg/kg) either with or without liposomal quercetin. Kaplan-Meier survival analysis was performed using a tumor diameter of 3.0 cm as the defined survival endpoint. Differences in endpoint survival and tumor doubling time among the groups were highly significant (P<0.001). Endpoint survivals were 12.5±2.2 days for the control group, 16.6±2.9 days for tumors treated with RF alone, 15.5±2.1 days for tumors treated with liposomal quercetin alone, and 22.0±3.9 days with combined RF and quercetin. Additionally, combination quercetin/RF/doxorubicin therapy resulted in the longest survival (48.3±20.4 days), followed by RF/doxorubicin (29.9±3.8 days). IV liposomal quercetin in combination with RF ablation reduces tumor growth rates and improves animal endpoint survival. Further increases in endpoint survival can be seen by adding an additional anti-tumor adjuvant agent liposomal doxorubicin. This suggests that targeting several post-ablation processes with multi-drug nanotherapies can increase overall ablation efficacy. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Hydrolysis of the RNA model substrate catalyzed by a binuclear Zr(IV)-substituted Keggin polyoxometalate.

    PubMed

    Luong, Thi Kim Nga; Absillis, Gregory; Shestakova, Pavletta; Parac-Vogt, Tatjana N

    2015-09-21

    The reactivity and solution behaviour of the binuclear Zr(IV)-substituted Keggin polyoxometalate (Et2NH2)8[{α-PW11O39Zr(μ-OH)(H2O)}2]·7H2O (ZrK 2 : 2) towards phosphoester bond hydrolysis of the RNA model substrate 2-hydroxypropyl-4-nitrophenyl phosphate (HPNP) was investigated at different reaction conditions (pD, temperature, concentration, and ionic strength). The hydrolysis of the phosphoester bond of HPNP, followed by means of (1)H NMR spectroscopy, proceeded with an observed rate constant, kobs = 11.5(±0.42) × 10(-5) s(-1) at pD 6.4 and 50 °C, representing a 530-fold rate enhancement in comparison with the spontaneous hydrolysis of HPNP. (1)H and (31)P NMR spectra indicate that at these reaction conditions the only products of hydrolysis are p-nitrophenol and the corresponding cyclic phosphate ester. The pD dependence of kobs exhibits a bell-shaped profile, with the fastest rate observed at pD 6.4. The formation constant (Kf = 455 M(-1)) and catalytic rate constant (kc = 42 × 10(-5) s(-1)) for the HPNP-ZrK 2 : 2 complex, activation energy (Ea) of 63.35 ± 1.82 kJ mol(-1), enthalpy of activation (ΔH(‡)) of 60.60 ± 2.09 kJ mol(-1), entropy of activation (ΔS(‡)) of -133.70 ± 6.13 J mol(-1) K(-1), and Gibbs activation energy (ΔG(‡)) of 102.05 ± 0.13 kJ mol(-1) at 37 °C were calculated from kinetic experiments. Binding between ZrK 2 : 2 and the P-O bond of HPNP was evidenced by the change in the (31)P chemical shift and signal line-broadening of the (31)P atom in HPNP upon addition of ZrK 2 : 2. Based on (31)P NMR experiments and isotope effect studies, a mechanism for HPNP hydrolysis in the presence of ZrK 2 : 2 was proposed.

  13. Group-based trajectory modeling: an overview.

    PubMed

    Nagin, Daniel S

    2014-01-01

    This article provides an overview of a group-based statistical methodology for analyzing developmental trajectories - the evolution of an outcome over age or time. Across all application domains, this group-based statistical method lends itself to the presentation of findings in the form of easily understood graphical and tabular data summaries. In so doing, the method provides statistical researchers with a tool for figuratively painting a statistical portrait of the predictors and consequences of distinct trajectories of development. Data summaries of this form have the great advantage of being accessible to nontechnical audiences and quickly comprehensible to audiences that are technically sophisticated. Examples of the application of the method are provided. A detailed account of the statistical underpinnings of the method and a full range of applications are provided by the author in a previous study.

  14. Dimensionality of posttraumatic stress symptoms: a confirmatory factor analysis of DSM-IV symptom clusters and other symptom models.

    PubMed

    Asmundson, G J; Frombach, I; McQuaid, J; Pedrelli, P; Lenox, R; Stein, M B

    2000-02-01

    Recent exploratory [Taylor, S., Kuch, K., Koch, W. J., Crockett, D. J., & Passey, G. (1998). The structure of posttraumatic stress symptoms. Journal of Abnormal Psychology, 107, 154-160.] and confirmatory [Buckley, T. C., Blanchard, E. B., & Hickling, E. J. (1998). A confirmatory factor analysis of posttraumatic stress symptoms. Behaviour Research and Therapy, 36, 1091-1099; King, D. W., Leskin, G. A., King, L. A., & Weathers, F. W. (1998). Confirmatory factor analysis of the clinician-administered PTSD scale: evidence for the dimensionality of posttraumatic stress disorder. Psychological Assessment, 10, 90-96.] factor analytic investigations suggest that the three symptom clusters of posttraumatic stress disorder (PTSD) as defined in the Diagnostic and Statistical Manual [4th ed.; DSM-IV; American Psychiatric Association (1994). Diagnostic and statistical manual of mental disorders (4th ed.). Washington, DC: Author.] may not provide the best conceptualization of symptom dimensionality. However, the alternative models have not been in agreement, nor have they been compared against each other or models based on the DSM-IV. The purpose of the present investigation was to test a series of dimensional models suggested by these recent factor analytic investigations and the DSM-IV. Using data collected with the PTSD Checklist--Civilian Version [Weathers, F. W., Litz, B. T., Huska, J. A., & Keane, T. M. (1994). PCL-C for DSM-IV. Boston: National Center for PTSD--Behavioral Science Division.] from 349 referrals to a primary care medical clinic, we used confirmatory factor analysis to evaluate a: (1) hierarchical four-factor model, (2) four-factor intercorrelated model, (3) hierarchical three-factor model, (4) three-factor intercorrelated model, and (5) hierarchical two-factor model. The hierarchical four-factor model (comprising four first-order factors corresponding to reexperiencing, avoidance, numbing, and hyperarousal all subsumed by a higher-order general factor

  15. The role of mRNA competition in regulating translation. IV. Kinetic model.

    PubMed

    Godefroy-Colburn, T; Thach, R E

    1981-11-25

    A kinetic model of protein synthesis is presented, primarily designed to analyze the accompanying data (Brendler, T., Godefroy-Colburn, T., Carlill, R. D., and Thach, R. E. (1981) J. Biol. Chem. 256, 11747-11754; Walden, W. E., Godefroy-Colburn, T., and Thach, R. E. (1981) J. Biol. Chem. 256, 11739-11746). Our model treats initiation as a multistep process in which mRNA must bind to a "discriminatory factor" prior to its recognition by the native 40 S subunit. Interaction with the latter is followed by an irreversible rearrangement which yields the functional 40 S initiation complex capable of binding the 60 S ribosome with release of all the factors. Elongation is simply treated as a series of irreversible steps with a single rate constant. The model takes into account the recycling of ribosomal subunits, initiation factors, discriminatory factor, and message initiation site. We can thus mimic the simultaneous translation of several messages, each with its own concentration, size, binding constants, and rate constants. The only limit to the number of messages is the capacity of the computer (3 kilobytes of accessible memory is sufficient for 5 messages). Thus, we are able to evaluate quantitatively the effect of each parameter on the rate of synthesis of individual polypeptides, on polysome size, and on the repartition of message species between the untranslated and the polysomal pools. Several applications are considered: (i) competitive translation of alpha- and beta-globin in vitro (Kabat, D., and Chappel, M. R. (1977) J. Biol. Chem. 252, 2684-2690); (ii) determination of the relative affinities of reoviral messages for the discriminatory factor in vitro (Brendler, T., Godefroy-Colburn, T., Carlill, R. D., and Thach, R. E. (1981) J. Biol. Chem. 256, 11747-11754); (iii) effect of elongation inhibitors on the translation of reoviral and cellular messages in SC-1 fibroblasts (Walden, W. E., Godefroy-Colburn, T., and Thach, R. E. (1981) J. Biol. Chem. 256, 11739

  16. Group-IV midinfrared plasmonics

    NASA Astrophysics Data System (ADS)

    Biagioni, Paolo; Frigerio, Jacopo; Samarelli, Antonio; Gallacher, Kevin; Baldassarre, Leonetta; Sakat, Emilie; Calandrini, Eugenio; Millar, Ross W.; Giliberti, Valeria; Isella, Giovanni; Paul, Douglas J.; Ortolani, Michele

    2015-01-01

    The use of heavily doped semiconductors to achieve plasma frequencies in the mid-IR has been recently proposed as a promising way to obtain high-quality and tunable plasmonic materials. We introduce a plasmonic platform based on epitaxial n-type Ge grown on standard Si wafers by means of low-energy plasma-enhanced chemical vapor deposition. Due to the large carrier concentration achieved with P dopants and to the compatibility with the existing CMOS technology, SiGe plasmonics hold promises for mid-IR applications in optoelectronics, IR detection, sensing, and light harvesting. As a representative example, we show simulations of mid-IR plasmonic waveguides based on the experimentally retrieved dielectric constants of the grown materials.

  17. Temperature diagnostics for carbon IV ion by using a collision model in the solar transition region

    NASA Astrophysics Data System (ADS)

    Liao, Lamei; He, Jian; Zhang, Qingguo

    2016-09-01

    For spectral diagnostics of temperature in the solar transition region, by using a semi-classical method, we calculate the collision strengths for the dipole transition of carbon IV 2S1/2-2P1/2 and 2S1/2-2P3/2, and we discuss the Maxwellian-averaged collision strengths for a wide temperature region. Then, based on the Maxwellian-averaged collision strengths, we discuss the spectral diagnostic of temperature in the solar transition region and obtain the temperature T = 1.7 × 105 K for the carbon IV ion in that region, which is in good agreement with the predicted temperature range of 1.0 × 105 K to 2.0 × 105 K. This calculation will be significant for spectral diagnostics in the solar transition region.

  18. Modeling emergency evacuation from group homes.

    PubMed

    Berlin, G N; Dutt, A; Gupta, S M

    1982-02-01

    The goal of this study is to describe a methodology for estimating the necessary time for resident evacuation. A network description of the building together with a simulation model of occupant movement are used to evacuate alternative egress and rescue policies.

  19. Recursive renormalization group theory based subgrid modeling

    NASA Technical Reports Server (NTRS)

    Zhou, YE

    1991-01-01

    Advancing the knowledge and understanding of turbulence theory is addressed. Specific problems to be addressed will include studies of subgrid models to understand the effects of unresolved small scale dynamics on the large scale motion which, if successful, might substantially reduce the number of degrees of freedom that need to be computed in turbulence simulation.

  20. Recursive renormalization group theory based subgrid modeling

    NASA Technical Reports Server (NTRS)

    Zhou, YE

    1991-01-01

    Advancing the knowledge and understanding of turbulence theory is addressed. Specific problems to be addressed will include studies of subgrid models to understand the effects of unresolved small scale dynamics on the large scale motion which, if successful, might substantially reduce the number of degrees of freedom that need to be computed in turbulence simulation.

  1. Mechanistic PBPK Modeling of the Dissolution and Food Effect of a BCS IV Compound - the Venetoclax Story.

    PubMed

    Emami Riedmaier, Arian; Lindley, David J; Hall, Jeffrey A; Castleberry, Steven; Slade, Russell T; Stuart, Patricia; Carr, Robert A; Borchardt, Thomas B; Bow, Daniel A J; Nijsen, Marjoleen

    2017-10-06

    Venetoclax, a selective B-cell lymphoma-2 inhibitor, is a biopharmaceutics classification system (BCS) class IV compound. The aim of this study was to develop a physiologically-based pharmacokinetic (PBPK) model to mechanistically describe absorption and disposition of an amorphous solid dispersion (ASD) formulation of venetoclax in humans. A mechanistic PBPK model was developed incorporating measured amorphous solubility, dissolution, metabolism and plasma protein binding. A middle-out approach was used to define permeability. Model predictions of oral venetoclax pharmacokinetics were verified against clinical studies of fed and fasted healthy volunteers, and clinical drug interaction studies with strong CYP3A inhibitor (ketoconazole) and inducer (rifampicin). Model verification demonstrated accurate prediction of the observed food effect following a low-fat diet. Ratios of predicted versus observed Cmax and AUC of venetoclax were within 0.8- to 1.25-fold of observed ratios for strong CYP3A inhibitor and inducer interactions, indicating that the venetoclax elimination pathway was correctly specified. The verified venetoclax PBPK model is one of the first examples mechanistically capturing absorption, food effect and exposure of an ASD formulated compound. This model allows evaluation of untested drug-drug interactions, especially those primarily occurring in the intestine, and paves the way for future modeling of BCS IV compounds. Copyright © 2017. Published by Elsevier Inc.

  2. Theoretical investigations and density functional theory based quantitative structure-activity relationships model for novel cytotoxic platinum(IV) complexes.

    PubMed

    Varbanov, Hristo P; Jakupec, Michael A; Roller, Alexander; Jensen, Frank; Galanski, Markus; Keppler, Bernhard K

    2013-01-10

    Octahedral platinum(IV) complexes are promising candidates in the fight against cancer. In order to rationalize the further development of this class of compounds, detailed studies on their mechanisms of action, toxicity, and resistance must be provided and structure-activity relationships must be drawn. Herein, we report on theoretical and QSAR investigations of a series of 53 novel bis-, tris-, and tetrakis(carboxylato)platinum(IV) complexes, synthesized and tested for cytotoxicity in our laboratories. The hybrid DFT functional wb97x was used for optimization of the structure geometry and calculation of the descriptors. Reliable and robust QSAR models with good explanatory and predictive properties were obtained for both the cisplatin sensitive cell line CH1 and the intrinsically cisplatin resistant cell line SW480, with a set of four descriptors.

  3. Theoretical Investigations and Density Functional Theory Based Quantitative Structure–Activity Relationships Model for Novel Cytotoxic Platinum(IV) Complexes

    PubMed Central

    2012-01-01

    Octahedral platinum(IV) complexes are promising candidates in the fight against cancer. In order to rationalize the further development of this class of compounds, detailed studies on their mechanisms of action, toxicity, and resistance must be provided and structure–activity relationships must be drawn. Herein, we report on theoretical and QSAR investigations of a series of 53 novel bis-, tris-, and tetrakis(carboxylato)platinum(IV) complexes, synthesized and tested for cytotoxicity in our laboratories. The hybrid DFT functional wb97x was used for optimization of the structure geometry and calculation of the descriptors. Reliable and robust QSAR models with good explanatory and predictive properties were obtained for both the cisplatin sensitive cell line CH1 and the intrinsically cisplatin resistant cell line SW480, with a set of four descriptors. PMID:23214999

  4. Chemistry in disks. IV. Benchmarking gas-grain chemical models with surface reactions

    NASA Astrophysics Data System (ADS)

    Semenov, D.; Hersant, F.; Wakelam, V.; Dutrey, A.; Chapillon, E.; Guilloteau, St.; Henning, Th.; Launhardt, R.; Piétu, V.; Schreyer, K.

    2010-11-01

    Context. We describe and benchmark two sophisticated chemical models developed by the Heidelberg and Bordeaux astrochemistry groups. Aims: The main goal of this study is to elaborate on a few well-described tests for state-of-the-art astrochemical codes covering a range of physical conditions and chemical processes, in particular those aimed at constraining current and future interferometric observations of protoplanetary disks. Methods: We considered three physical models: a cold molecular cloud core, a hot core, and an outer region of a T Tauri disk. Our chemical network (for both models) is based on the original gas-phase osu_03_2008 ratefile and includes gas-grain interactions and a set of surface reactions for the H-, O-, C-, S-, and N-bearing molecules. The benchmarking was performed with the increasing complexity of the considered processes: (1) the pure gas-phase chemistry, (2) the gas-phase chemistry with accretion and desorption, and (3) the full gas-grain model with surface reactions. The chemical evolution is modeled within 109 years using atomic initial abundances with heavily depleted metals and hydrogen in its molecular form. Results: The time-dependent abundances calculated with the two chemical models are essentially the same for all considered physical cases and for all species, including the most complex polyatomic ions and organic molecules. This result, however, required a lot of effort to make all necessary details consistent through the model runs, e.g., definition of the gas particle density, density of grain surface sites, or the strength and shape of the UV radiation field. Conclusions: The reference models and the benchmark setup, along with the two chemical codes and resulting time-dependent abundances are made publicly available on the internet. This will facilitate and ease the development of other astrochemical models and provide nonspecialists with a detailed description of the model ingredients and requirements to analyze the cosmic

  5. Comparative computational studies of Li, Na, and Mg insertion in elemental group IV materials and oxides: Material choices for post-lithium batteries

    NASA Astrophysics Data System (ADS)

    Legrain, Fleur Cornelie Graciette

    In search for effective anode materials for sodium- and magnesium-ion batteries, we use density functional theory calculations to rationalize the storage characteristics of key anode material candidates. Specifically, we provide the first consistent study of sodium and magnesium versus lithium for their insertion and diffusion in elemental group IV materials and in titanium dioxides. For the different ion-host material systems we compute the intercalation energies for the insertion of the ion in the host material as well as the migration barriers for the ion diffusion. These storage properties are essential as they inform experimentalists about theoretical limits of performance of the material itself. Those properties are computed for lithium, sodium, and magnesium in the most stable phase of carbon, silicon, germanium, tin, lead, and titanium dioxides. A few less stable phases are also investigated, specifically alpha tin, the anatase and bronze structures of titanium dioxide, as well as the amorphous phases of carbon silicon, and titanium dioxide. These less stable phases are also critically important as they can (i) spontaneously form upon ion intercalation and deintercalation or (ii) they can provide better storage properties and in such cases it can be possible to stabilize them as electrode material. We also investigate doping as a strategy to tune the storage properties of electrode materials. Specifically, we consider the effect of p-doping on silicon and germanium. We find that it facilitates considerably the insertion of lithium, sodium, and magnesium in the host material without changing significantly their migration barriers for diffusion. We build a comprehensive picture of the interaction of Li, Na, and Mg with potential electrode materials by considering effects which affect the electrode performance but are generally neglected in theoretical studies. Specifically, we estimate the effect of phonons (on silicon and tin) as well as the effect of

  6. Group analysis of an ideal plasticity model

    NASA Astrophysics Data System (ADS)

    Lamothe, Vincent

    2012-07-01

    A group analysis of a system describing an ideal plastic flow is made in order to obtain analytical solutions. The complete Lie algebra of point symmetries of this system are given. Two of the infinitesimal generators that span the Lie algebra are original to this paper. A classification into conjugacy classes of all one- and two-dimensional subalgebras is performed. Invariant and partially invariant solutions corresponding to certain conjugacy classes are obtained using the symmetry reduction method. Solutions of algebraic, trigonometric, inverse trigonometric and elliptic type are provided as illustrations and other solutions expressed in terms of one or two arbitrary functions have also been found. For some of these solutions, a physical interpretation allows one to determine the shape of feasible extrusion dies corresponding to these solutions. The corresponding tools could be used to curve rods or slabs, or to shape a ring in an ideal plastic material by an extrusion process.

  7. An AIDS model with distributed incubation and variable infectiousness: applications to i.v. drug users in Latium, Italy.

    PubMed

    Iannelli, M; Loro, R; Milner, F; Pugliese, A; Rabbiolo, G

    1992-07-01

    An AIDS model with distributed incubation and variable infectiousness is considered and simulated via a second-order numerical method. The method is applied to the HIV epidemic among IV drug users in the Latium region of Italy, using available data on the length of the incubation period before the onset of AIDS, on the infectivity of infected individuals during that period, and on the demography of drug users. The contact rate is adjusted to match the actual number of AIDS cases. The sensitivity of the model to uncertainties in the parameters is finally investigated, by performing several simulations.

  8. The Beyond the standard model working group: Summary report

    SciTech Connect

    G. Azuelos et al.

    2004-03-18

    In this working group we have investigated a number of aspects of searches for new physics beyond the Standard Model (SM) at the running or planned TeV-scale colliders. For the most part, we have considered hadron colliders, as they will define particle physics at the energy frontier for the next ten years at least. The variety of models for Beyond the Standard Model (BSM) physics has grown immensely. It is clear that only future experiments can provide the needed direction to clarify the correct theory. Thus, our focus has been on exploring the extent to which hadron colliders can discover and study BSM physics in various models. We have placed special emphasis on scenarios in which the new signal might be difficult to find or of a very unexpected nature. For example, in the context of supersymmetry (SUSY), we have considered: how to make fully precise predictions for the Higgs bosons as well as the superparticles of the Minimal Supersymmetric Standard Model (MSSM) (parts III and IV); MSSM scenarios in which most or all SUSY particles have rather large masses (parts V and VI); the ability to sort out the many parameters of the MSSM using a variety of signals and study channels (part VII); whether the no-lose theorem for MSSM Higgs discovery can be extended to the next-to-minimal Supersymmetric Standard Model (NMSSM) in which an additional singlet superfield is added to the minimal collection of superfields, potentially providing a natural explanation of the electroweak value of the parameter {micro} (part VIII); sorting out the effects of CP violation using Higgs plus squark associate production (part IX); the impact of lepton flavor violation of various kinds (part X); experimental possibilities for the gravitino and its sgoldstino partner (part XI); what the implications for SUSY would be if the NuTeV signal for di-muon events were interpreted as a sign of R-parity violation (part XII). Our other main focus was on the phenomenological implications of extra

  9. Clinicians' judgments of clinical utility: a comparison of the DSM-IV with dimensional models of general personality.

    PubMed

    Lowe, Jennifer Ruth; Widiger, Thomas A

    2009-06-01

    Clinical utility, or the usefulness of a diagnostic system in clinical practice, has been identified as a potential limitation of alternative dimensional models of personality disorder, such as the five-factor model (FFM; McCrae & Costa, 1990), the Temperament and Character Inventory (TCI; Cloninger, 2000), the Multidimensional Personality Questionnaire (MPQ; Tellegen & Waller, 1987), and the Shedler & Westen Assessment Procedure-200 (SWAP-200; Shedler & Westen, 1998). Both proponents of and opponents to dimensional models of personality disorder have suggested that their clinical utility be assessed in preparation for DSM-V (e.g., Rounsaville et al., 2002; First et al., 2002; Verheul, 2005; First, 2005). Samuel & Widiger (2006) found the FFM to have significantly greater clinical utility than the existing diagnostic categories. In the current study, 1,572 practicing psychologists were asked to describe one of three cases using the DSM-IV and the constructs of one of four alternative dimensional models (FFM, TCI, MPQ, SWAP). Clinicians then rated each model on six aspects of clinical utility. Results indicate that clinicians find dimensional models to be higher in clinical utility than the DSM-IV on five of the six aspects of clinical utility, but not significantly different from each other. Implications of these findings are discussed.

  10. TOWARD UNDERSTANDING THE B[e] PHENOMENON. IV. MODELING OF IRAS 00470+6429

    SciTech Connect

    Carciofi, A. C.; Miroshnichenko, A. S.; Bjorkman, J. E.

    2010-10-01

    FS CMa type stars are a recently described group of objects with the B[e] phenomenon which exhibits strong emission-line spectra and strong IR excesses. In this paper, we report the first attempt for a detailed modeling of IRAS 00470+6429, for which we have the best set of observations. Our modeling is based on two key assumptions: the star has a main-sequence luminosity for its spectral type (B2) and the circumstellar (CS) envelope is bimodal, composed of a slowly outflowing disklike wind and a fast polar wind. Both outflows are assumed to be purely radial. We adopt a novel approach to describe the dust formation site in the wind that employs timescale arguments for grain condensation and a self-consistent solution for the dust destruction surface. With the above assumptions we were able to satisfactorily reproduce many observational properties of IRAS 00470+6429, including the H I line profiles and the overall shape of the spectral energy distribution. Our adopted recipe for dust formation proved successful in reproducing the correct amount of dust formed in the CS envelope. Possible shortcomings of our model, as well as suggestions for future improvements, are discussed.

  11. Computer Simulation of Small Group Decisions: Model Three.

    ERIC Educational Resources Information Center

    Hare, A.P.; Scheiblechner, Hartmann

    In a test of three computer models to simulate group decisions, data were used from 31 American and Austrian groups on a total of 307 trials. The task for each group was to predict a series of answers of an unknown subject on a value-orientation questionnaire, after being given a sample of his typical responses. The first model, used the mean of…

  12. Group Climate, Cohesion, Alliance, and Empathy in Group Psychotherapy: Multilevel Structural Equation Models

    ERIC Educational Resources Information Center

    Johnson, Jennifer E.; Burlingame, Gary M.; Olsen, Joseph A.; Davies, D. Robert; Gleave, Robert L.

    2005-01-01

    This study examined the definitional and statistical overlap among 4 key group therapeutic relationship constructs--group climate, cohesion, alliance, and empathy--across member-member, member-group, and member-leader relationships. Three multilevel structural equation models were tested using self-report measures completed by 662 participants…

  13. The 10/66 Dementia Research Group's fully operationalised DSM-IV dementia computerized diagnostic algorithm, compared with the 10/66 dementia algorithm and a clinician diagnosis: a population validation study

    PubMed Central

    Prince, Martin J; de Rodriguez, Juan Llibre; Noriega, L; Lopez, A; Acosta, Daisy; Albanese, Emiliano; Arizaga, Raul; Copeland, John RM; Dewey, Michael; Ferri, Cleusa P; Guerra, Mariella; Huang, Yueqin; Jacob, KS; Krishnamoorthy, ES; McKeigue, Paul; Sousa, Renata; Stewart, Robert J; Salas, Aquiles; Sosa, Ana Luisa; Uwakwa, Richard

    2008-01-01

    Background The criterion for dementia implicit in DSM-IV is widely used in research but not fully operationalised. The 10/66 Dementia Research Group sought to do this using assessments from their one phase dementia diagnostic research interview, and to validate the resulting algorithm in a population-based study in Cuba. Methods The criterion was operationalised as a computerised algorithm, applying clinical principles, based upon the 10/66 cognitive tests, clinical interview and informant reports; the Community Screening Instrument for Dementia, the CERAD 10 word list learning and animal naming tests, the Geriatric Mental State, and the History and Aetiology Schedule – Dementia Diagnosis and Subtype. This was validated in Cuba against a local clinician DSM-IV diagnosis and the 10/66 dementia diagnosis (originally calibrated probabilistically against clinician DSM-IV diagnoses in the 10/66 pilot study). Results The DSM-IV sub-criteria were plausibly distributed among clinically diagnosed dementia cases and controls. The clinician diagnoses agreed better with 10/66 dementia diagnosis than with the more conservative computerized DSM-IV algorithm. The DSM-IV algorithm was particularly likely to miss less severe dementia cases. Those with a 10/66 dementia diagnosis who did not meet the DSM-IV criterion were less cognitively and functionally impaired compared with the DSMIV confirmed cases, but still grossly impaired compared with those free of dementia. Conclusion The DSM-IV criterion, strictly applied, defines a narrow category of unambiguous dementia characterized by marked impairment. It may be specific but incompletely sensitive to clinically relevant cases. The 10/66 dementia diagnosis defines a broader category that may be more sensitive, identifying genuine cases beyond those defined by our DSM-IV algorithm, with relevance to the estimation of the population burden of this disorder. PMID:18577205

  14. Tretinoin Nanogel 0.025% Versus Conventional Gel 0.025% in Patients with Acne Vulgaris: A Randomized, Active Controlled, Multicentre, Parallel Group, Phase IV Clinical Trial

    PubMed Central

    Chandrashekhar, B S; Anitha, M.; Ruparelia, Mukesh; Vaidya, Pradyumna; Aamir, Riyaz; Shah, Sunil; Thilak, S; Aurangabadkar, Sanjeev; Pal, Sandeep; Saraswat, Abir

    2015-01-01

    Background: Conventional topical tretinoin formulation is often associated with local adverse events. Nanogel formulation of tretinoin has good physical stability and enables good penetration of tretinoin into the pilo-sebaceous glands. Aim: The present study was conducted to assess the efficacy and safety of a nanogel formulation of tretinoin as compared to its conventional gel formulation in the treatment of acne vulgaris of the face. Materials and Methods: This randomized, active controlled, multicentric, phase IV clinical trial evaluated the treatment of patients with acne vulgaris of the face by the two gel formulations locally applied once daily at night for 12 wk. Acne lesion counts (inflammatory, non-inflammatory & total) and severity grading were carried out on the monthly scheduled visits along with the tolerability assessments. Results: A total of 207 patients were randomized in the study. Reductions in the total (72.9% vs. 65.0%; p = 0.03) and inflammatory (78.1% vs. 66.9%; p = 0.02) acne lesions were reported to be significantly greater with the nanogel formulation as compared to the conventional gel formulation. Local adverse events were significantly less (p = 0.04) in the nanogel group (13.3%) as compared to the conventional gel group (24.7%). Dryness was the most common adverse event reported in both the treatment groups while peeling of skin, burning sensation and photosensitivity were reported in patients using the conventional gel only. Conclusion: In the treatment of acne vulgaris of the face, tretinoin nanogel formulation appears to be more effective and better tolerated than the conventional gel formulation. PMID:25738069

  15. Asteroids IV

    NASA Astrophysics Data System (ADS)

    Michel, Patrick; DeMeo, Francesca E.; Bottke, William F.

    Asteroids are fascinating worlds. Considered the building blocks of our planets, many of the authors of this book have devoted their scientific careers to exploring them with the tools of our trade: ground- and spacebased observations, in situ space missions, and studies that run the gamut from theoretical modeling efforts to laboratory work. Like fossils for paleontologists, or DNA for geneticists, they allow us to construct a veritable time machine and provide us with tantalizing glimpses of the earliest nature of our solar system. By investigating them, we can probe what our home system was like before life or even the planets existed. The origin and evolution of life on our planet is also intertwined with asteroids in a different way. It is believed that impacts on the primordial Earth may have delivered the basic components for life, with biology favoring attributes that could more easily survive the aftermath of such energetic events. In this fashion, asteroids may have banished many probable avenues for life to relative obscurity. Similarly, they may have also prevented our biosphere from becoming more complex until more recent eras. The full tale of asteroid impacts on the history of our world, and how human life managed to emerge from myriad possibilities, has yet to be fully told. The hazard posed by asteroid impacts to our civilization is low but singular. The design of efficient mitigation strategies strongly relies on asteroid detection by our ground- and spacebased surveys as well as knowledge of their physical properties. A more positive motivation for asteroid discovery is that the proximity of some asteroids to Earth may allow future astronauts to harvest their water and rare mineral resources for use in exploration. A key goal of asteroid science is therefore to learn how humans and robotic probes can interact with asteroids (and extract their materials) in an efficient way. We expect that these adventures may be commonplace in the future

  16. Evidence from mathematical modeling that carbonic anhydrase II and IV enhance CO2 fluxes across Xenopus oocyte plasma membranes

    PubMed Central

    Musa-Aziz, Raif; Boron, Walter F.

    2014-01-01

    Exposing an oocyte to CO2/HCO3− causes intracellular pH (pHi) to decline and extracellular-surface pH (pHS) to rise to a peak and decay. The two companion papers showed that oocytes injected with cytosolic carbonic anhydrase II (CA II) or expressing surface CA IV exhibit increased maximal rate of pHi change (dpHi/dt)max, increased maximal pHS changes (ΔpHS), and decreased time constants for pHi decline and pHS decay. Here we investigate these results using refinements of an earlier mathematical model of CO2 influx into a spherical cell. Refinements include 1) reduced cytosolic water content, 2) reduced cytosolic diffusion constants, 3) refined CA II activity, 4) layer of intracellular vesicles, 5) reduced membrane CO2 permeability, 6) microvilli, 7) refined CA IV activity, 8) a vitelline membrane, and 9) a new simulation protocol for delivering and removing the bulk extracellular CO2/HCO3− solution. We show how these features affect the simulated pHi and pHS transients and use the refined model with the experimental data for 1.5% CO2/10 mM HCO3− (pHo = 7.5) to find parameter values that approximate ΔpHS, the time to peak pHS, the time delay to the start of the pHi change, (dpHi/dt)max, and the change in steady-state pHi. We validate the revised model against data collected as we vary levels of CO2/HCO3− or of extracellular HEPES buffer. The model confirms the hypothesis that CA II and CA IV enhance transmembrane CO2 fluxes by maximizing CO2 gradients across the plasma membrane, and it predicts that the pH effects of simultaneously implementing intracellular and extracellular-surface CA are supra-additive. PMID:24965589

  17. Evidence from mathematical modeling that carbonic anhydrase II and IV enhance CO2 fluxes across Xenopus oocyte plasma membranes.

    PubMed

    Occhipinti, Rossana; Musa-Aziz, Raif; Boron, Walter F

    2014-11-01

    Exposing an oocyte to CO2/HCO3 (-) causes intracellular pH (pHi) to decline and extracellular-surface pH (pHS) to rise to a peak and decay. The two companion papers showed that oocytes injected with cytosolic carbonic anhydrase II (CA II) or expressing surface CA IV exhibit increased maximal rate of pHi change (dpHi/dt)max, increased maximal pHS changes (ΔpHS), and decreased time constants for pHi decline and pHS decay. Here we investigate these results using refinements of an earlier mathematical model of CO2 influx into a spherical cell. Refinements include 1) reduced cytosolic water content, 2) reduced cytosolic diffusion constants, 3) refined CA II activity, 4) layer of intracellular vesicles, 5) reduced membrane CO2 permeability, 6) microvilli, 7) refined CA IV activity, 8) a vitelline membrane, and 9) a new simulation protocol for delivering and removing the bulk extracellular CO2/HCO3 (-) solution. We show how these features affect the simulated pHi and pHS transients and use the refined model with the experimental data for 1.5% CO2/10 mM HCO3 (-) (pHo = 7.5) to find parameter values that approximate ΔpHS, the time to peak pHS, the time delay to the start of the pHi change, (dpHi/dt)max, and the change in steady-state pHi. We validate the revised model against data collected as we vary levels of CO2/HCO3 (-) or of extracellular HEPES buffer. The model confirms the hypothesis that CA II and CA IV enhance transmembrane CO2 fluxes by maximizing CO2 gradients across the plasma membrane, and it predicts that the pH effects of simultaneously implementing intracellular and extracellular-surface CA are supra-additive. Copyright © 2014 the American Physiological Society.

  18. IV injection of polystyrene beads for mouse model of sepsis causes severe glomerular injury.

    PubMed

    Arima, Hajime; Hirate, Hiroyuki; Sugiura, Takeshi; Suzuki, Shugo; Takahashi, Satoru; Sobue, Kazuya

    2014-01-01

    Infusion fluids may be contaminated with different types of particulates that are a potential health hazard. Particulates larger than microvessels may cause an embolism by mechanical blockage and inflammation; however, it has been reported that particulates smaller than capillary diameter are relatively safe. Against such a background, one report showed that polystyrene beads smaller than capillary diameter decreased tissue perfusion in ischemia-reperfusion injury. This report suggested that polystyrene beads from 1.5- to 6-μm diameter (dia.) may have unfavorable effects after pretreatment. Here, we investigated whether injection of polystyrene beads (3- and 6-μm dia.) as an artificial contaminant of intravenous fluid after lipopolysaccharide (LPS) injection affected mortality and organ damage in mice. Mice were divided into four groups and injected: polystyrene beads only, LPS only, polystyrene beads 30 min after LPS, or saline. A survival study, histology, blood examination, and urine examination were performed. The survival rate after LPS and polystyrene bead (6-μm dia.) injection was significantly lower than that of the other three groups. In the kidney sections, injured glomeruli were significantly higher with LPS and polystyrene bead injection than that of the other three groups. LPS and polystyrene bead injection decreased the glomerular filtration rate and led to renal failure. Inflammatory reactions induced with LPS were not significantly different between with or without polystyrene beads. Polystyrene beads were found in urine after LPS and polystyrene bead injection. Injection of polystyrene beads after LPS injection enhanced glomerular structural injury and caused renal function injury in a mouse sepsis model.

  19. Holding the Holders: An Interdisciplinary Group Well-Child Model

    ERIC Educational Resources Information Center

    Marchel, Mary Ann; Winesett, Heather; Hall, Katie; Ladd, Casey

    2015-01-01

    Using the structure of the group well-child visit model, the St. Luke's Interdisciplinary Group Well Child (IGWC) model integrates primary care and mental health, recognizing the power and importance of dyadic and family relationships in the first years of life. The pilot of this model attempted to harness the "port of entry" afforded…

  20. Holding the Holders: An Interdisciplinary Group Well-Child Model

    ERIC Educational Resources Information Center

    Marchel, Mary Ann; Winesett, Heather; Hall, Katie; Ladd, Casey

    2015-01-01

    Using the structure of the group well-child visit model, the St. Luke's Interdisciplinary Group Well Child (IGWC) model integrates primary care and mental health, recognizing the power and importance of dyadic and family relationships in the first years of life. The pilot of this model attempted to harness the "port of entry" afforded…

  1. Sexuality and the Elderly: A Group Counseling Model.

    ERIC Educational Resources Information Center

    Capuzzi, Dave; Gossman, Larry

    1982-01-01

    Describes a 10-session group counseling model to facilitate awareness of sexuality and the legitimacy of its expression for older adults. Considers member selection, session length and setting, and group leadership. (Author/MCF)

  2. Synthesis of Ge1-xSnx alloys by ion implantation and pulsed laser melting: Towards a group IV direct bandgap material

    NASA Astrophysics Data System (ADS)

    Tran, Tuan T.; Pastor, David; Gandhi, Hemi H.; Smillie, Lachlan A.; Akey, Austin J.; Aziz, Michael J.; Williams, J. S.

    2016-05-01

    The germanium-tin (Ge1-xSnx) material system is expected to be a direct bandgap group IV semiconductor at a Sn content of 6.5 - 11 at . % . Such Sn concentrations can be realized by non-equilibrium deposition techniques such as molecular beam epitaxy or chemical vapour deposition. In this report, the combination of ion implantation and pulsed laser melting is demonstrated to be an alternative promising method to produce a highly Sn concentrated alloy with a good crystal quality. The structural properties of the alloys such as soluble Sn concentration, strain distribution, and crystal quality have been characterized by Rutherford backscattering spectrometry, Raman spectroscopy, x ray diffraction, and transmission electron microscopy. It is shown that it is possible to produce a high quality alloy with up to 6.2 at . % Sn . The optical properties and electronic band structure have been studied by spectroscopic ellipsometry. The introduction of substitutional Sn into Ge is shown to either induce a splitting between light and heavy hole subbands or lower the conduction band at the Γ valley. Limitations and possible solutions to introducing higher Sn content into Ge that is sufficient for a direct bandgap transition are also discussed.

  3. Fabrication of a Core-Shell-Type Photocatalyst via Photodeposition of Group IV and V Transition Metal Oxyhydroxides: An Effective Surface Modification Method for Overall Water Splitting.

    PubMed

    Takata, Tsuyoshi; Pan, Chengsi; Nakabayashi, Mamiko; Shibata, Naoya; Domen, Kazunari

    2015-08-05

    The design of optimal surface structures for photocatalysts is a key to efficient overall water splitting into H2 and O2. A unique surface modification method was devised for a photocatalyst to effectively promote overall water splitting. Photodeposition of amorphous oxyhydroxides of group IV and V transition metals (Ti, Nb, Ta) over a semiconductor photocatalyst from corresponding water-soluble metal peroxide complexes was examined. In this method, amorphous oxyhydroxide covered the whole surface of the photocatalyst particles, creating a core-shell structure. The water splitting behavior of the novel core-shell-type photocatalyst in relation to the permeation behavior of the coating layer was investigated in detail. Overall water splitting proceeded successfully after the photodeposition, owing to the prevention of the reverse reaction. The photodeposited oxyhydroxide layers were found to function as molecular sieves, selectively filtering reactant and product molecules. By exploiting the selective permeability of the coating layer, redox reactions on the photocatalyst surface could be suitably controlled, which resulted in successful overall water splitting.

  4. Reaction of 1H-1-oxo-2,4,6,8-tetrakis(tert-butyl)phenoxazine with certain group II-IV metals

    SciTech Connect

    Karsanov, I.V.; Ivakhnenko, E.P.; Khandkarova, V.S.; Rubezhov, A.Z.; Okhlobystin, O.Yu.; Minkin, V.I.; Prokof'ev, A.I.; Kabachnik, M.I.

    1987-07-10

    It has already been shown that 2-amino-4,6-di(tert-butyl)phenol reacts with 3,5-di(tert-butyl)-o-benzoquinone to form 1H-1-oxo-2,4,6,8-tetrakis(tert-butyl)phenoxazine (I), which is readily reduced by alkali metals to the corresponding semiquinone anion-radical (II), and further to the diamagnetic dianion (IIA). They made use of this ability of (I) to undergo reduction to prepare anion-radical salts with different group II-IV metals in the form of their amalgams. In the EPR spectrum of the anion-radical complex (III) formed in the reduction of (I) by a thallium amalgam, the HFI constants of the unpaired electron with magnetic nuclei of the organic ligand are close to those of the K-salt (II), and a substantial HFI is observed with the /sup 203,205/Tl nuclei. This unequivocally proves that the complex has a semiquinone structure, since an HFI on the /sup 203,205/Tl nuclei of such an order of magnitude is characteristic of o-benzoquinone salts with a thallium cation.

  5. Endomicrobium proavitum, the first isolate of Endomicrobia class. nov. (phylum Elusimicrobia)--an ultramicrobacterium with an unusual cell cycle that fixes nitrogen with a Group IV nitrogenase.

    PubMed

    Zheng, Hao; Dietrich, Carsten; Radek, Renate; Brune, Andreas

    2016-01-01

    The bacterial tree contains many deep-rooting clades without any cultured representatives. One such clade is 'Endomicrobia', a class-level lineage in the phylum Elusimicrobia represented so far only by intracellular symbionts of termite gut flagellates. Here, we report the isolation and characterization of the first free-living member of this clade from sterile-filtered gut homogenate of defaunated (starch-fed) Reticulitermes santonensis. Strain Rsa215 is a strictly anaerobic ultramicrobacterium that grows exclusively on glucose, which is fermented to lactate, acetate, hydrogen and CO2. Ultrastructural analysis revealed a Gram-negative cell envelope and a peculiar cell cycle. The genome contains a single set of nif genes that encode homologues of Group IV nitrogenases, which were so far considered to have functions other than nitrogen fixation. We documented nitrogenase activity and diazotrophic growth by measuring acetylene reduction activity and (15)N2 incorporation into cell mass, and demonstrated that transcription of nifH and nitrogenase activity occur only in the absence of ammonium. Based on the ancestral relationship to 'Candidatus Endomicrobium trichonymphae' and other obligate endosymbionts, we propose the name 'Endomicrobium proavitum' gen. nov., sp. nov. for the first isolate of this lineage and the name 'Endomicrobia' class. nov. for the entire clade.

  6. Carrier transport properties of the Group-IV ferromagnetic semiconductor Ge{sub 1-x}Fe{sub x} with and without boron doping

    SciTech Connect

    Ban, Yoshisuke Wakabayashi, Yuki; Akiyama, Ryota; Nakane, Ryosho; Tanaka, Masaaki

    2014-09-15

    We have investigated the transport and magnetic properties of group-IV ferromagnetic semiconductor Ge{sub 1-x}Fe{sub x} films (x = 1.0 and 2.3%) with and without boron doping grown by molecular beam epitaxy (MBE). In order to accurately measure the transport properties of 100-nm-thick Ge{sub 1-x}Fe{sub x} films, (001)-oriented silicon-on-insulator (SOI) wafers with an ultra-thin Si body layer (∼5 nm) were used as substrates. Owing to the low Fe content, the hole concentration and mobility in the Ge{sub 1-x}Fe{sub x} films were exactly estimated by Hall measurements because the anomalous Hall effect in these films was found to be negligibly small. By boron doping, we increased the hole concentration in Ge{sub 1-x}Fe{sub x} from ∼10{sup 18} cm{sup −3} to ∼10{sup 20} cm{sup −3} (x = 1.0%) and to ∼10{sup 19} cm{sup −3} (x = 2.3%), but no correlation was observed between the hole concentration and magnetic properties. This result presents a contrast to the hole-induced ferromagnetism in III-V ferromagnetic semiconductors.

  7. Molecular interaction fields vs. quantum-mechanical-based descriptors in the modelling of lipophilicity of platinum(IV) complexes.

    PubMed

    Ermondi, Giuseppe; Caron, Giulia; Ravera, Mauro; Gabano, Elisabetta; Bianco, Sabrina; Platts, James A; Osella, Domenico

    2013-03-14

    We report QSAR calculations using VolSurf descriptors to model the lipophilicity of 53 Pt(iv) complexes with a diverse range of axial and equatorial ligands. Lipophilicity is measured using an efficient HPLC method. Previous models based on a subset of these data are shown to be inadequate, due to incompatibility of whole molecule descriptors between carboxylato and hydroxido ligands. Instead, the interaction surfaces of complexes with various probes are used as independent descriptors. Partial least squares modelling using three latent variables results in an accurate (R(2) = 0.92) and robust model (Q(2) = 0.87) of lipophilicity, that moreover highlights the importance of size and hydrophobicity terms and the modest relevance of hydrogen bonding.

  8. Stage IV and age over 45 years are the only prognostic factors of the International Prognostic Score for the outcome of advanced Hodgkin lymphoma in the Spanish Hodgkin Lymphoma Study Group series.

    PubMed

    Guisado-Vasco, Pablo; Arranz-Saez, Reyes; Canales, Miguel; Cánovas, Araceli; Garcia-Laraña, José; García-Sanz, Ramón; Lopez, Andrés; López, José Luis; Llanos, Marta; Moraleda, José Maria; Rodriguez, José; Rayón, Consuelo; Sabin, Pilar; Salar, Antonio; Marín-Niebla, Ana; Morente, Manuel; Sánchez-Godoy, Pedro; Tomás, José Francisco; Muriel, Alfonso; Abraira, Victor; Piris, Miguel A; Garcia, Juán F; Montalban, Carlos

    2012-05-01

    The International Prognostic Score (IPS) is the most widely used system to date for identifying risk groups for the outcome of patients with advanced Hodgkin lymphoma, although important limitations have been recognized. We analyzed the value of the IPS in a series of 311 patients with advanced classical Hodgkin lymphoma (cHL) (Ann Arbor stage III, IV or stage II with B symptoms and/or bulky masses) treated with first-line chemotherapy including adriamycin (adriamycin, bleomycin, vinblastine, dacarbazine [ABVD] or equivalent variants). In univariate and multivariate analyses, stage IV disease and age ≥ 45 years were the only factors with independent predictive significance for overall survival (OS) (p = 0.002 and p < 0.001, respectively). Stage IV was still significant for freedom from progression (FFP) (p = 0.001) and age ≥ 45 years was borderline significant (p = 0.058). IPS separates prognostic groups, as in the original publication, but this is mainly due to the high statistical significance of stage IV and age ≥ 45 years. Moreover, the combination of these two factors enables a simpler system to be constructed that separates groups with different FFP and OS. In conclusion, in our series, stage IV and age ≥ 45 years are the key prognostic factors for the outcome of advanced cHL.

  9. Source-Term and building-Wake Consequence Modeling for the Godiva IV Reactor at Los Alamos National Laboratory

    SciTech Connect

    Letellier, B.C.; McClure, P.; Restrepo, L.

    1999-06-13

    The objectives of this work were to evaluate the consequences of a postulated accident to onsite security personnel stationed near the facility during operations of the Godiva IV critical assembly and to identify controls needed to protect these personnel in case of an extreme criticality excursion equivalent to the design-basis accident (DBA). This paper presents the methodology and results of the source-term calculations, building ventilation rates, air concentrations, and consequence calculations that were performed using a multidisciplinary approach with several phenomenology models. Identification of controls needed to mitigate the consequences to near-field receptors is discussed.

  10. Group impressions as dynamic configurations: the tensor product model of group impression formation and change.

    PubMed

    Kashima, Y; Woolcock, J; Kashima, E S

    2000-10-01

    Group impressions are dynamic configurations. The tensor product model (TPM), a connectionist model of memory and learning, is used to describe the process of group impression formation and change, emphasizing the structured and contextualized nature of group impressions and the dynamic evolution of group impressions over time. TPM is first shown to be consistent with algebraic models of social judgment (the weighted averaging model; N. Anderson, 1981) and exemplar-based social category learning (the context model; E. R. Smith & M. A. Zárate, 1992), providing a theoretical reduction of the algebraic models to the present connectionist framework. TPM is then shown to describe a common process that underlies both formation and change of group impressions despite the often-made assumption that they constitute different psychological processes. In particular, various time-dependent properties of both group impression formation (e.g., time variability, response dependency, and order effects in impression judgments) and change (e.g., stereotype change and group accentuation) are explained, demonstrating a hidden unity beneath the diverse array of empirical findings. Implications of the model for conceptualizing stereotype formation and change are discussed.

  11. Welding IV.

    ERIC Educational Resources Information Center

    Allegheny County Community Coll., Pittsburgh, PA.

    Instructional objectives and performance requirements are outlined in this course guide for Welding IV, a competency-based course in advanced arc welding offered at the Community College of Allegheny County to provide students with proficiency in: (1) single vee groove welding using code specifications established by the American Welding Society…

  12. Welding IV.

    ERIC Educational Resources Information Center

    Allegheny County Community Coll., Pittsburgh, PA.

    Instructional objectives and performance requirements are outlined in this course guide for Welding IV, a competency-based course in advanced arc welding offered at the Community College of Allegheny County to provide students with proficiency in: (1) single vee groove welding using code specifications established by the American Welding Society…

  13. The Lake Superior Oronto Group, a middle Proterozoic exploration model for the late Proterozoic Chuar Group of the Grand Canyon

    SciTech Connect

    Dickas, A.B. ); Mudrey, M.G. Jr )

    1992-04-01

    The Lake Superior Oronto Group and the Grand Canyon Chuar Group are the most significant Precambrian hydrocarbon targets within the conterminous United States. These frontier terrains share common Proterozoic age, comparable total organic carbon source rock values, association with Indian-interest properties, plus similarities in reservoir, trap, and maturation characteristics. Extensively studied since 1980, the exploration philosophy applied to the Oronto Group is presented as a model for Chuar Group hydrocarbon evaluation. Hydrocarbon shows have been reported since 1852 from middle Proterozoic rocks of the Lake Superior basin. Occurrences include stains within stromatolitic facies of the Copper Harbor Conglomerate, live subsurface seeps within Nonesuch units in the White Pine copper mine of Michigan, and impsonite-like inclusions within calcite veins of the Freda Formation. These formations compose the Oronto Group, a synrift package infilling the Lake Superior basin of the mid-continent rift system. Seep analyses identify a low sulfur (0.02%), paraffinic (67%), 34 API crude indirectly dated (Rb/Sr) at a minimum of 1047{plus minus}35 Ma. Nonesuch Formation source shales are present within both central horst structures and flank half-grabens. Reservoir-quality criteria are associated with adjacent Copper Harbor and overlying Freda Formation units. Seismically identified traps range from anticlinal and drag folding to onlap, stratigraphic, and unconformity closures. The Lake Superior segment of the mid-continent rift system is subdivided into four structural units (I-IV). Association of oil seeps with stratiform copper deposits (unit III) suggests evidence of geochemical symbiosis. This crude entered oil-window status circa 1.0 Ga due to migrating cupriferous thermal systems.

  14. Comparative studies of oxaliplatin-based platinum(iv) complexes in different in vitro and in vivo tumor models.

    PubMed

    Göschl, Simone; Schreiber-Brynzak, Ekaterina; Pichler, Verena; Cseh, Klaudia; Heffeter, Petra; Jungwirth, Ute; Jakupec, Michael A; Berger, Walter; Keppler, Bernhard K

    2017-03-22

    Using platinum(iv) prodrugs of clinically established platinum(ii) compounds is a strategy to overcome side effects and acquired resistances. We studied four oxaliplatin-derived platinum(iv) complexes with varying axial ligands in various in vitro and in vivo settings. The ability to interfere with DNA (pUC19) in the presence and absence of a reducing agent (ascorbic acid) was investigated in cell-free experiments. Cytotoxicity was compared under normoxic and hypoxic conditions in monolayer cultures and multicellular spheroids of colon carcinoma cell lines. Effects on the cell cycle were investigated by flow cytometry, and the capacity of inducing apoptosis was confirmed by flow cytometry and Western blotting. The anti-cancer activity of one complex was studied in vivo in immunodeficient and immunocompetent mice, and the platinum levels in various organs and the tumor after treatment were quantified. The results demonstrate that modification of the axial ligands can improve the cytotoxic potency. The complexes are able to interfere with plasmid DNA, which is enhanced by co-incubation with a reducing agent, and cause cell cycle perturbations. At higher concentrations, they induce apoptosis, but generate only low levels of reactive oxygen species. Two of the complexes increase the life span of leukemia (L1210) bearing mice, and one showed effects similar to oxaliplatin in a CT26 solid tumor model, despite the low platinum levels in the tumor. As in the case of oxaliplatin, activity in the latter model depends on an intact immune system. These findings show new perspectives for the development of platinum(iv) prodrugs of the anticancer agent oxaliplatin, combining bioreductive properties and immunogenic aspects.

  15. Group-based trajectory modeling in clinical research.

    PubMed

    Nagin, Daniel S; Odgers, Candice L

    2010-01-01

    Group-based trajectory models are increasingly being applied in clinical research to map the developmental course of symptoms and assess heterogeneity in response to clinical interventions. In this review, we provide a nontechnical overview of group-based trajectory and growth mixture modeling alongside a sampling of how these models have been applied in clinical research. We discuss the challenges associated with the application of both types of group-based models and propose a set of preliminary guidelines for applied researchers to follow when reporting model results. Future directions in group-based modeling applications are discussed, including the use of trajectory models to facilitate causal inference when random assignment to treatment condition is not possible.

  16. Group psychology and the structural theory: a revised psychoanalytic model of group psychology.

    PubMed

    Saravay, S M

    1975-01-01

    It has been my aim in this paper to revise the existing psychoanalytic theory of group psychology in accordance with current structural concepts. The need for fundamental revision in the existing theory of group organization is demonstrated by its restriction to an oedipal paradigm, which cannot account for the regression to an oral paradigm of group organization during group formation. Freud's explanation of regression in crowds is reviewed. The limitations inherent in Freud's topographic and narcisistic models are demonstrated; irreconcilable contradictions are shown to exist between the two theories. A structural model of group psychology that is free from internal contradictions and provides a unifying explanation for both regression and merging in the crowd is developed. As a consequence of these revisions it is possible to conceptualize preoedipal organizations of group structure in addition to the oedipal paradigm proposed by Freud.

  17. Coordination of tetravalent actinides (An = Th(IV), U(IV), Np(IV), Pu(IV)) with DOTA - from dimers to hexamers.

    PubMed

    Tamain, Christelle; Dumas, Thomas; Hennig, Christoph; Guilbaud, Philippe

    2017-03-10

    Three tetravalent actinide (An(IV)) hexanuclear clusters with the octahedral core [An6(OH)4O4]12+ (An(IV) = U(IV), Np(IV), Pu(IV)) were structurally characterized in solid state and in aqueous solution using single crystal X-ray diffraction, X-ray absorption, IR, Raman and UV-Visible spectroscopy. The observed structure, [An6(OH)4O4(H2O)8(HDOTA)4].HCl/HNO3.nH2O (An = U (I), Np (II), Pu (III)), consists of a An(IV) hexanuclear pseudo-octahedral cluster stabilized by DOTA (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) ligands. The six actinide atoms are connected through alternative µ3-O2- and µ3-OH- groups. EXAFS investigations combined with UV-vis spectroscopy evidence the same local structure in moderate acidic and neutral aqueous solutions. The synthesis mechanism was partially elucidated and the main physicochemical properties (pH range stability, solubility and protonation constant) of the cluster were determined. The results underline the importance (i) to consider such polynuclear species in thermodynamic models and (ii) of competing reactions between hydrolysis and complexation. It is interesting to note that the same synthesis route with thorium(IV) leads to the formation of a dimer, Th2(H2O)10(H2DOTA)2.4NO3.xH2O (IV), which contrasts to the structure of the other An(IV) hexamers.

  18. Functional Renormalization Group Approach to the Sine-Gordon Model

    SciTech Connect

    Nagy, S.; Sailer, K.; Nandori, I.; Polonyi, J.

    2009-06-19

    The renormalization group flow is presented for the two-dimensional sine-Gordon model within the framework of the functional renormalization group method by including the wave-function renormalization constant. The Kosterlitz-Thouless-Berezinski type phase structure is recovered as the interpolating scaling law between two competing IR attractive area of the global renormalization group flow.

  19. Gifted Parent Groups: The SENG Model. 2nd Edition

    ERIC Educational Resources Information Center

    DeVries, Arlene R.; Webb, James T.

    2007-01-01

    This manual provides the essential information for persons wishing to conduct SENG Model parent support groups for parents of gifted children. Each week, parents in the group read a chapter of "A Parent's Guide to Gifted Children," and then discuss the concepts in the chapter, led by the group facilitator. Parents support one another in practicing…

  20. Type-IV pili spectroscopic markers: applications in the quantification of piliation levels in Moraxella bovis cells by a FT-IR ANN-based model.

    PubMed

    Bosch, Alejandra; Prieto, Claudia; Serra, Diego Omar; Martina, Pablo; Stämmbler, Maren; Naumann, Dieter; Schmitt, Jürgen; Yantorno, Osvaldo

    2010-08-01

    Type-IV pili are cell surface organelles found in a wide variety of Gram-negative bacteria. They have traditionally been detected by electron microscopy and ELISA techniques. However, these methodologies are not appropriate for the rapid discrimination and quantification of piliated and nonpiliated cells in industrial or field conditions. Here, the analysis of FT-IR spectra of piliated, nonpiliated and sheared Moraxella bovis cells, together with purified pili suspensions spectra, allowed the identification of 3 IR regions associated to spectroscopic markers of Type-IV pili: 1750-1600, 1450-1350 and 1280-950 cm(-1). Such IR-specific markers were found for piliated cells grown in different culture systems (liquid or solid media), independently of the strain or pili serotype. They were also sensitive to pili expression levels. Therefore, on the bases of these specific spectral features, an FT-IR ANN-based model was developed to classify piliation levels in 5 distinct groups. An overall classification rate of almost 90% demonstrates the strong potential of the ANN system developed to monitor M. bovis cultures in vaccine production.

  1. Intelligence and Personal Influence in Groups: Four Nonlinear Models.

    ERIC Educational Resources Information Center

    Simonton, Dean Keith

    1985-01-01

    Four models are developed to provide a conceptual basis for a curvilinear relation between intelligence and an individual's influence over group members. The models deal with influence and percentile placement in intelligence, comprehension by potential followers, vulnerability to rival intellects, and correlation between mean group IQ and the…

  2. The LGBTQ Responsive Model for Supervision of Group Work

    ERIC Educational Resources Information Center

    Goodrich, Kristopher M.; Luke, Melissa

    2011-01-01

    Although supervision of group work has been linked to the development of multicultural and social justice competencies, there are no models for supervision of group work specifically designed to address the needs of lesbian, gay, bisexual, transgender, and questioning (LGBTQ) persons. This manuscript presents the LGBTQ Responsive Model for…

  3. The Punctuated-Tuckman: Towards a New Group Development Model

    ERIC Educational Resources Information Center

    Hurt, Andrew C.; Trombley, Sarah M.

    2007-01-01

    Two commonly accepted theories of group development are the Tuckman model (Tuckman & Jensen, 1977) and the Punctuated-Equilibrium model (Gersick, 1988). Critiques of both are that they assume linear development and that they fail to account for outside influences. In contrast, Tubbs (2004) suggests that group development should be viewed from a…

  4. Cooperative Learning: A Critical Analysis of the Group Investigation Model.

    ERIC Educational Resources Information Center

    Saban, Ahmet

    1994-01-01

    Explains cooperative learning and provides a sample implementation of the group investigation model. Suggests that implementation of the group investigation model in a graduate-level reading education course supports the findings of cooperative learning in the literature. Argues that cooperative learning should be a part of teacher education…

  5. The LGBTQ Responsive Model for Supervision of Group Work

    ERIC Educational Resources Information Center

    Goodrich, Kristopher M.; Luke, Melissa

    2011-01-01

    Although supervision of group work has been linked to the development of multicultural and social justice competencies, there are no models for supervision of group work specifically designed to address the needs of lesbian, gay, bisexual, transgender, and questioning (LGBTQ) persons. This manuscript presents the LGBTQ Responsive Model for…

  6. The Hourglass Approach: A Conceptual Model for Group Facilitators.

    ERIC Educational Resources Information Center

    Kriner, Lon S.; Goulet, Everett F.

    1983-01-01

    Presents a model to clarify the facilitator's role in working with groups. The Hourglass Approach model incorporates Carkhuff's empathetic levels of communication and Schultz's theory of personality. It is designed to be a systematic and comprehensive method usable with a variety of counseling approaches in all types of groups. (JAC)

  7. In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts.

    PubMed

    Brodsky, Casey N; Hadt, Ryan G; Hayes, Dugan; Reinhart, Benjamin J; Li, Nancy; Chen, Lin X; Nocera, Daniel G

    2017-04-11

    The Co4O4 cubane is a representative structural model of oxidic cobalt oxygen-evolving catalysts (Co-OECs). The Co-OECs are active when residing at two oxidation levels above an all-Co(III) resting state. This doubly oxidized Co(IV)2 state may be captured in a Co(III)2(IV)2 cubane. We demonstrate that the Co(III)2(IV)2 cubane may be electrochemically generated and the electronic properties of this unique high-valent state may be probed by in situ spectroscopy. Intervalence charge-transfer (IVCT) bands in the near-IR are observed for the Co(III)2(IV)2 cubane, and spectroscopic analysis together with electrochemical kinetics measurements reveal a larger reorganization energy and a smaller electron transfer rate constant for the doubly versus singly oxidized cubane. Spectroelectrochemical X-ray absorption data further reveal systematic spectral changes with successive oxidations from the cubane resting state. Electronic structure calculations correlated to experimental data suggest that this state is best represented as a localized, antiferromagnetically coupled Co(IV)2 dimer. The exchange coupling in the cofacial Co(IV)2 site allows for parallels to be drawn between the electronic structure of the Co4O4 cubane model system and the high-valent active site of the Co-OEC, with specific emphasis on the manifestation of a doubly oxidized Co(IV)2 center on O-O bond formation.

  8. In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts

    DOE PAGES

    Brodsky, Casey N.; Hadt, Ryan G.; Hayes, Dugan; ...

    2017-03-27

    The Co4O4 cubane is a representative structural model of oxidic cobalt oxygen evolving catalysts (Co-OECs). The Co-OECs are active when residing at two oxidation levels above an all Co(III) resting state. This doubly oxidized Co(IV)2 state may be captured in a Co(III)2(IV)2 cubane. We demonstrate that the Co(III)2(IV)2 cubane may be electrochemically generated and the electronic properties of this unique high-valent state may be probed by in situ spectroscopy. Intervalence charge transfer (IVCT) bands in the near-IR are observed for the Co(III)2(IV)2 cubane, and spectroscopic analysis together with electrochemical kinetics measurements reveal a larger reorganization energy and a smaller electronmore » transfer rate constant for the doubly versus singly oxidized cubane. Spectroelectrochemical X-ray absorption data further reveal systematic spectral changes with successive oxidations from the cubane resting state. Electronic structure calculations correlated to experimental data suggest that this state is best represented as a localized, antiferromagnetically coupled Co(IV)2 dimer. The exchange coupling in the cofacial Co(IV)2 site allows for parallels to be drawn between the electronic structure of the Co4O4 cubane model system and the high valent active site of the Co-OEC, with specific emphasis on the manifestation of a doubly oxidized Co(IV)2 center on O–O bond formation.« less

  9. ON THE USE OF NEXRAD STAGE IV DATA IN THE MULTIMEDIA MODELING OF POLLUTANT TRANSPORT

    EPA Science Inventory

    The Environmental Protection Agency (EPA) is designing the Multimedia Integrated Modeling System (MIMS) to model the cycling of pollutants and nutrients between the atmosphere and the earth's surface, including water bodies and groundwater. Our ability to accurately model both ...

  10. ON THE USE OF NEXRAD STAGE IV DATA IN THE MULTIMEDIA MODELING OF POLLUTANT TRANSPORT

    EPA Science Inventory

    The Environmental Protection Agency (EPA) is designing the Multimedia Integrated Modeling System (MIMS) to model the cycling of pollutants and nutrients between the atmosphere and the earth's surface, including water bodies and groundwater. Our ability to accurately model both ...

  11. 45 CFR 310.10 - What are the functional requirements for the Model Tribal IV-D System?

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ..., DEPARTMENT OF HEALTH AND HUMAN SERVICES COMPUTERIZED TRIBAL IV-D SYSTEMS AND OFFICE AUTOMATION Requirements for Computerized Tribal IV-D Systems and Office Automation § 310.10 What are the functional...

  12. 45 CFR 310.10 - What are the functional requirements for the Model Tribal IV-D System?

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ..., DEPARTMENT OF HEALTH AND HUMAN SERVICES COMPUTERIZED TRIBAL IV-D SYSTEMS AND OFFICE AUTOMATION Requirements for Computerized Tribal IV-D Systems and Office Automation § 310.10 What are the functional...

  13. 45 CFR 310.10 - What are the functional requirements for the Model Tribal IV-D System?

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ..., DEPARTMENT OF HEALTH AND HUMAN SERVICES COMPUTERIZED TRIBAL IV-D SYSTEMS AND OFFICE AUTOMATION Requirements for Computerized Tribal IV-D Systems and Office Automation § 310.10 What are the functional...

  14. 45 CFR 310.10 - What are the functional requirements for the Model Tribal IV-D System?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ..., DEPARTMENT OF HEALTH AND HUMAN SERVICES COMPUTERIZED TRIBAL IV-D SYSTEMS AND OFFICE AUTOMATION Requirements for Computerized Tribal IV-D Systems and Office Automation § 310.10 What are the functional...

  15. Central alterations of neuromuscular function and feedback from group III-IV muscle afferents following exhaustive high-intensity one-leg dynamic exercise.

    PubMed

    Pageaux, Benjamin; Angius, Luca; Hopker, James G; Lepers, Romuald; Marcora, Samuele M

    2015-06-15

    The aims of this investigation were to describe the central alterations of neuromuscular function induced by exhaustive high-intensity one-leg dynamic exercise (OLDE, study 1) and to indirectly quantify feedback from group III-IV muscle afferents via muscle occlusion (MO, study 2) in healthy adult male humans. We hypothesized that these central alterations and their recovery are associated with changes in afferent feedback. Both studies consisted of two time-to-exhaustion tests at 85% peak power output. In study 1, voluntary activation level (VAL), M-wave, cervicomedullary motor evoked potential (CMEP), motor evoked potential (MEP), and MEP cortical silent period (CSP) of the knee extensor muscles were measured. In study 2, mean arterial pressure (MAP) and leg muscle pain were measured during MO. Measurements were performed preexercise, at exhaustion, and after 3 min recovery. Compared with preexercise values, VAL was lower at exhaustion (-13 ± 13%, P < 0.05) and after 3 min of recovery (-6 ± 6%, P = 0.05). CMEP area/M area was lower at exhaustion (-38 ± 13%, P < 0.01) and recovered after 3 min. MEP area/M area was higher at exhaustion (+25 ± 27%, P < 0.01) and after 3 min of recovery (+17 ± 20%, P < 0.01). CSP was higher (+19 ± 9%, P < 0.01) only at exhaustion and recovered after 3 min. Markers of afferent feedback (MAP and leg muscle pain during MO) were significantly higher only at exhaustion. These findings suggest that the alterations in spinal excitability and CSP induced by high-intensity OLDE are associated with an increase in afferent feedback at exhaustion, whereas central fatigue does not fully recover even when significant afferent feedback is no longer present. Copyright © 2015 the American Physiological Society.

  16. Dynamics of two-group conflicts: A statistical physics model

    NASA Astrophysics Data System (ADS)

    Diep, H. T.; Kaufman, Miron; Kaufman, Sanda

    2017-03-01

    We propose a "social physics" model for two-group conflict. We consider two disputing groups. Each individual i in each of the two groups has a preference si regarding the way in which the conflict should be resolved. The individual preferences span a range between + M (prone to protracted conflict) and - M (prone to settle the conflict). The noise in this system is quantified by a "social temperature". Individuals interact within their group and with individuals of the other group. A pair of individuals (i , j) within a group contributes -si ∗sj to the energy. The inter-group energy of individual i is taken to be proportional to the product between si and the mean value of the preferences from the other group's members. We consider an equivalent-neighbor Renyi-Erdos network where everyone interacts with everyone. We present some examples of conflicts that may be described with this model.

  17. C-H bond activation of the methyl group of the supporting ligand in an osmium(III) complex upon reaction with H2O2: formation of an organometallic osmium(IV) complex.

    PubMed

    Sugimoto, Hideki; Ashikari, Kenji; Itoh, Shinobu

    2013-01-18

    Oxidation of the hydroxoosmium(III) complex resulted in C-H bond activation of the methyl group of the supporting ligand (N,N'-dimethyl-2,11-diaza[3.3](2,6)pyridinophane). The product was an osmium(IV) complex exhibiting a seven-coordinate structure with an additional Os-CH(2) bond.

  18. Effective core potential modeling of Group IVA-Group IVB chemical vapor deposition

    SciTech Connect

    Cundari, T.R.; Li, Yueping

    1995-08-15

    An effective core potential study of a model chemical vapor deposition (CVD) reaction is reported. Compounds studied are those in which a Group IVA (E=C, Si, Ge, SN) main group element is directly bonded to a Group IVB (M=Ti, Zr, Hf) transition metal. Model reactants (H{sub 3}M-EH{sub 3}) possess Group IVA-Group IVB single bonds while products (H{sub 2}M = EH{sub 2}, formed by H{sub 2} elimination from reactants) have Group IVA-Group IVB multiple bonds. The main findings of this research are as follows: First, a single-determinant (RHF) description is appropriate for singly bonded Group IVA-Group IVB complexes. Agreement between experimental and calculated M-E single-bond lengths is very good at all levels studied. Second, electron correlation is of much greater importance for describing the ME {pi} bond than the ME {sigma} bond. Third, analysis of calculated double-to-single bond ratios (R{sub double}/R{sub single}) suggest that {pi}-bonding remains nearly constant over the entire series of compounds studied and is weaker than in the main group-main group analogs, suggesting a reason for the lack of reported examples with a Group IVA-Group IVB double bound. Fourth, barriers to elimination of H{sub 2} from H{sub 3}M-EH{sub 3} show two significant trends. We propose that the trends as a function of transition metal (Ti < Zr < Hf) and main group element (C > Si > Ge > Sn) are due to trends in M-H and E-H bond energies. 37 refs., 2 figs., 7 tabs.

  19. IVS Organization

    NASA Technical Reports Server (NTRS)

    2004-01-01

    International VLBI Service (IVS) is an international collaboration of organizations which operate or support Very Long Baseline Interferometry (VLBI) components. The goals are: To provide a service to support geodetic, geophysical and astrometric research and operational activities. To promote research and development activities in all aspects of the geodetic and astrometric VLBI technique. To interact with the community of users of VLBI products and to integrate VLBI into a global Earth observing system.

  20. Group force mobility model and its obstacle avoidance capability

    NASA Astrophysics Data System (ADS)

    Williams, Sean A.; Huang, Dijiang

    2009-10-01

    Many mobility models attempt to provide realistic simulation to many real world scenarios. However, existing mobility models, such as RPGM [X. Hong, M. Gerla, G. Pei, C. Chiang, A group mobility model for ad hoc wireless networks, in: Proceedings of ACM/IEEE MSWiM'99, Seattle, WA, August 1999, pp. 53-60] and others, fail to address many aspects. These limitations range from mobile node (MN) collision avoidance, obstacle avoidance, and the interaction of MNs within a group. Our research, the group force mobility model (GFMM) [S.A. Williams, D. Huang, A group force mobility model, Appeared at 9th Communications and Networking Simulation Symposium, April 2006], proposes a novel idea which introduces the concept of attraction and repulsion forces to address many of these limitations. Williams and Huang [A group force mobility model, Appeared at 9th Communications and Networking Simulation Symposium, April 2006] described some of the limitations and drawbacks that many models neglect. This model effectively simulates the interaction of MNs within a group, the interaction of groups to one another, the coherency of a group, and the avoidance of collision with groups, nodes, and obstacles. This paper provides an overview of GFMM and particularly illustrates the GFMM's ability to avoid collision with obstacles, which is a vital property to posses in order to provide a realistic simulaition. We compare our model with the commonly used RPGM model and provide statistical assessments based on connectivity metrics such as link changed, link duration, and relative speed. All will be detailed and explained in this paper.

  1. Geology Lectures and Laboratories. A Model to Improve Preservice Elementary Science Teacher Development. Volume IV.

    ERIC Educational Resources Information Center

    Webster, Gary

    A group of scientists and science educators at Washington State University has developed and pilot tested an integrated physical science program designed for preservice elementary school teachers. This document includes the syllabus and class materials for the Geology block of the physical science courses developed by the group. Included are…

  2. A mathematical model describing the glycemic response of diabetic patients to meal and i.v. infusion of insulin.

    PubMed

    Fabietti, P G; Calabrese, G; Iorio, M; Bistoni, S; Brunetti, P; Sarti, E; Benedetti, M M

    2001-10-01

    Nine type 1 diabetic patients were studied for 24 hours. During this period they were given three calibrated meals. The glycemia was feedback-controlled by means of an artificial pancreas. The blood concentration of glucose and the infusion speed of the insulin were measured every minute. The experimental data referring to each of the three meals were used to estimate the parameters of a mathematical model suitable for describing the glycemic response of diabetic patients at meals and at the i.v. infusion of exogenous insulin. From the estimate a marked dispersion of the parameters was found, both interindividual and intraindividual. Nevertheless the models thus obtained seem to be usable for the synthesis of a feedback controller, especially in view of creating a portable artificial pancreas that now seems possible owing to the realization (so far experimental) of sufficiently reliable glucose concentration sensors.

  3. Modelling group navigation: transitive social structures improve navigational performance.

    PubMed

    Flack, Andrea; Biro, Dora; Guilford, Tim; Freeman, Robin

    2015-07-06

    Collective navigation demands that group members reach consensus on which path to follow, a task that might become more challenging when the group's members have different social connections. Group decision-making mechanisms have been studied successfully in the past using individual-based modelling, although many of these studies have neglected the role of social connections between the group's interacting members. Nevertheless, empirical studies have demonstrated that individual recognition, previous shared experiences and inter-individual familiarity can influence the cohesion and the dynamics of the group as well as the relative spatial positions of specific individuals within it. Here, we use models of collective motion to study the impact of social relationships on group navigation by introducing social network structures into a model of collective motion. Our results show that groups consisting of equally informed individuals achieve the highest level of accuracy when they are hierarchically organized with the minimum number of preferred connections per individual. We also observe that the navigational accuracy of a group will depend strongly on detailed aspects of its social organization. More specifically, group navigation does not only depend on the underlying social relationships, but also on how much weight leading individuals put on following others. Also, we show that groups with certain social structures can compensate better for an increased level of navigational error. The results have broader implications for studies on collective navigation and motion because they show that only by considering a group's social system can we fully elucidate the dynamics and advantages of joint movements.

  4. Biofunctionalization of electrospun PCL-based scaffolds with perlecan domain IV peptide to create a 3-D pharmacokinetic cancer model

    PubMed Central

    Hartman, Olga; Zhang, Chu; Adams, Elizabeth L.; Farach-Carson, Mary C.; Petrelli, Nicholas J.; Chase, Bruce D.; Rabolt, John F.

    2010-01-01

    Because prostate cancer cells metastasize to bone and exhibit osteoblastic features (osteomimicry), the interrelationships between bone-specific microenvironment and prostate cancer cells at sites of bone metastasis are critical to disease progression. In this work the bone marrow microenvironment in vitro was recreated both by tailoring scaffolds physical properties and by functionalizing electrospun polymer fibers with a bioactive peptide derived from domain IV of perlecan heparan sulfate proteoglycan. Electrospun poly (ε-caprolactone) (PCL) fibers and PCL/gelatin composite scaffolds were modified covalently with perlecan domain IV (PlnDIV) peptide. The expression of tight junction protein (E-cadherin) and focal adhesion kinase (FAK) phosphorylation on tyrosine 397 also were investigated. The described bioactive motif significantly enhanced adherence and infiltration of the metastatic prostate cancer cells on all modified electrospun substrates by day 5 post-seeding. Cells cultured on PlnDIV-modified matrices organized stress fibers and increased proliferation at statistically significant rates. Additional findings suggest that presence of PlnDIV peptide in the matrix reduced expression of tight junction protein and binding to PlnDIV peptide was accompanied by increased focal adhesion kinase (FAK) phosphorylation on tyrosine 397. We conclude that PlnDIV peptide supports key signaling events leading to proliferation, survival, and migration of C4-2B cancer cells; hence its incorporation into electrospun matrix is a key improvement to create a successful three-dimensional (3-D) pharmacokinetic cancer model. PMID:20417554

  5. Architecture Models and Data Flows in Local and Group Datawarehouses

    NASA Astrophysics Data System (ADS)

    Bogza, R. M.; Zaharie, Dorin; Avasilcai, Silvia; Bacali, Laura

    Architecture models and possible data flows for local and group datawarehouses are presented, together with some data processing models. The architecture models consists of several layers and the data flow between them. The choosen architecture of a datawarehouse depends on the data type and volumes from the source data, and inflences the analysis, data mining and reports done upon the data from DWH.

  6. Two Models for Semi-Supervised Terrorist Group Detection

    NASA Astrophysics Data System (ADS)

    Ozgul, Fatih; Erdem, Zeki; Bowerman, Chris

    Since discovery of organization structure of offender groups leads the investigation to terrorist cells or organized crime groups, detecting covert networks from crime data are important to crime investigation. Two models, GDM and OGDM, which are based on another representation model - OGRM are developed and tested on nine terrorist groups. GDM, which is basically depending on police arrest data and “caught together” information and OGDM, which uses a feature matching on year-wise offender components from arrest and demographics data, performed well on terrorist groups, but OGDM produced high precision with low recall values. OGDM uses a terror crime modus operandi ontology which enabled matching of similar crimes.

  7. PRMS-IV, the precipitation-runoff modeling system, version 4

    USGS Publications Warehouse

    Markstrom, Steven L.; Regan, Robert S.; Hay, Lauren E.; Viger, Roland J.; Webb, Richard M.; Payn, Robert A.; LaFontaine, Jacob H.

    2015-01-01

    Computer models that simulate the hydrologic cycle at a watershed scale facilitate assessment of variability in climate, biota, geology, and human activities on water availability and flow. This report describes an updated version of the Precipitation-Runoff Modeling System. The Precipitation-Runoff Modeling System is a deterministic, distributed-parameter, physical-process-based modeling system developed to evaluate the response of various combinations of climate and land use on streamflow and general watershed hydrology. Several new model components were developed, and all existing components were updated, to enhance performance and supportability. This report describes the history, application, concepts, organization, and mathematical formulation of the Precipitation-Runoff Modeling System and its model components. This updated version provides improvements in (1) system flexibility for integrated science, (2) verification of conservation of water during simulation, (3) methods for spatial distribution of climate boundary conditions, and (4) methods for simulation of soil-water flow and storage.

  8. Space physiology IV: mathematical modeling of the cardiovascular system in space exploration.

    PubMed

    Keith Sharp, M; Batzel, Jerry Joseph; Montani, Jean-Pierre

    2013-08-01

    Mathematical modeling represents an important tool for analyzing cardiovascular function during spaceflight. This review describes how modeling of the cardiovascular system can contribute to space life science research and illustrates this process via modeling efforts to study postflight orthostatic intolerance (POI), a key issue for spaceflight. Examining this application also provides a context for considering broader applications of modeling techniques to the challenges of bioastronautics. POI, which affects a large fraction of astronauts in stand tests upon return to Earth, presents as dizziness, fainting and other symptoms, which can diminish crew performance and cause safety hazards. POI on the Moon or Mars could be more critical. In the field of bioastronautics, POI has been the dominant application of cardiovascular modeling for more than a decade, and a number of mechanisms for POI have been investigated. Modeling approaches include computational models with a range of incorporated factors and hemodynamic sophistication, and also physical models tested in parabolic and orbital flight. Mathematical methods such as parameter sensitivity analysis can help identify key system mechanisms. In the case of POI, this could lead to more effective countermeasures. Validation is a persistent issue in modeling efforts, and key considerations and needs for experimental data to synergistically improve understanding of cardiovascular responses are outlined. Future directions in cardiovascular modeling include subject-specific assessment of system status, as well as research on integrated physiological responses, leading, for instance, to assessment of subject-specific susceptibility to POI or effects of cardiovascular alterations on muscular, vision and cognitive function.

  9. December 2016 MOVES Model Review Work Group Meeting Materials

    EPA Pesticide Factsheets

    MOVES Model Review Work Group meeting on December 7th, 2016 included plans for updating running exhaust criteria pollutant emission rates for heavy-duty diesel vehicles, emission rates for extended idle and auxiliary power units, onroad vehicle population.

  10. March 2017 MOVES Model Review Work Group Meeting Materials

    EPA Pesticide Factsheets

    MOVES Model Review Work Group meeting on March 201 included plans for updating running exhaust criteria pollutant emission rates for heavy-duty diesel vehicles, emission rates for extended idle and auxiliary power units, onroad vehicle population.

  11. The Beyond the Standard Model Working Group: Summary Report

    SciTech Connect

    Rizzo, Thomas G.

    2002-08-08

    Various theoretical aspects of physics beyond the Standard Model at hadron colliders are discussed. Our focus will be on those issues that most immediately impact the projects pursued as part of the BSM group at this meeting.

  12. Dynamical real space renormalization group applied to sandpile models.

    PubMed

    Ivashkevich, E V; Povolotsky, A M; Vespignani, A; Zapperi, S

    1999-08-01

    A general framework for the renormalization group analysis of self-organized critical sandpile models is formulated. The usual real space renormalization scheme for lattice models when applied to nonequilibrium dynamical models must be supplemented by feedback relations coming from the stationarity conditions. On the basis of these ideas the dynamically driven renormalization group is applied to describe the boundary and bulk critical behavior of sandpile models. A detailed description of the branching nature of sandpile avalanches is given in terms of the generating functions of the underlying branching process.

  13. Nonlinear Reynolds stress models and the renormalization group

    NASA Technical Reports Server (NTRS)

    Rubinstein, Robert; Barton, J. Michael

    1990-01-01

    The renormalization group is applied to derive a nonlinear algebraic Reynolds stress model of anisotropic turbulence in which the Reynolds stresses are quadratic functions of the mean velocity gradients. The model results from a perturbation expansion that is truncated systematically at second order with subsequent terms contributing no further information. The resulting turbulence model applied to both low and high Reynolds number flows without requiring wall functions or ad hoc modifications of the equations. All constants are derived from the renormalization group procedure; no adjustable constants arise. The model permits inequality of the Reynolds normal stresses, a necessary condition for calculating turbulence-driven secondary flows in noncircular ducts.

  14. VenUS IV (Venous leg Ulcer Study IV) - compression hosiery compared with compression bandaging in the treatment of venous leg ulcers: a randomised controlled trial, mixed-treatment comparison and decision-analytic model.

    PubMed Central

    Ashby, Rebecca L; Gabe, Rhian; Ali, Shehzad; Saramago, Pedro; Chuang, Ling-Hsiang; Adderley, Una; Bland, J Martin; Cullum, Nicky A; Dumville, Jo C; Iglesias, Cynthia P; Kang'ombe, Arthur R; Soares, Marta O; Stubbs, Nikki C; Torgerson, David J

    2014-01-01

    BACKGROUND Compression is an effective and recommended treatment for venous leg ulcers. Although the four-layer bandage (4LB) is regarded as the gold standard compression system, it is recognised that the amount of compression delivered might be compromised by poor application technique. Also the bulky nature of the bandages might reduce ankle or leg mobility and make the wearing of shoes difficult. Two-layer compression hosiery systems are now available for the treatment of venous leg ulcers. Two-layer hosiery (HH) may be advantageous, as it has reduced bulk, which might enhance ankle or leg mobility and patient adherence. Some patients can also remove and reapply two-layer hosiery, which may encourage self-management and could reduce costs. However, little robust evidence exists about the effectiveness of two-layer hosiery for ulcer healing and no previous trials have compared two-layer hosiery delivering 'high' compression with the 4LB. OBJECTIVES Part I To compare the clinical effectiveness and cost-effectiveness of HH and 4LB in terms of time to complete healing of venous leg ulcers. Part II To synthesise the relative effectiveness evidence (for ulcer healing) of high-compression treatments for venous leg ulcers using a mixed-treatment comparison (MTC). Part III To construct a decision-analytic model to assess the cost-effectiveness of high-compression treatments for venous leg ulcers. DESIGN Part I A multicentred, pragmatic, two-arm, parallel, open randomised controlled trial (RCT) with an economic evaluation. Part II MTC using all relevant RCT data - including Venous leg Ulcer Study IV (VenUS IV). Part III A decision-analytic Markov model. SETTINGS Part I Community nurse teams or services, general practitioner practices, leg ulcer clinics, tissue viability clinics or services and wound clinics within England and Northern Ireland. PARTICIPANTS Part I Patients aged ≥ 18 years with a venous leg ulcer, who were willing and able to tolerate high

  15. VenUS IV (Venous leg Ulcer Study IV) - compression hosiery compared with compression bandaging in the treatment of venous leg ulcers: a randomised controlled trial, mixed-treatment comparison and decision-analytic model.

    PubMed

    Ashby, Rebecca L; Gabe, Rhian; Ali, Shehzad; Saramago, Pedro; Chuang, Ling-Hsiang; Adderley, Una; Bland, J Martin; Cullum, Nicky A; Dumville, Jo C; Iglesias, Cynthia P; Kang'ombe, Arthur R; Soares, Marta O; Stubbs, Nikki C; Torgerson, David J

    2014-09-01

    Compression is an effective and recommended treatment for venous leg ulcers. Although the four-layer bandage (4LB) is regarded as the gold standard compression system, it is recognised that the amount of compression delivered might be compromised by poor application technique. Also the bulky nature of the bandages might reduce ankle or leg mobility and make the wearing of shoes difficult. Two-layer compression hosiery systems are now available for the treatment of venous leg ulcers. Two-layer hosiery (HH) may be advantageous, as it has reduced bulk, which might enhance ankle or leg mobility and patient adherence. Some patients can also remove and reapply two-layer hosiery, which may encourage self-management and could reduce costs. However, little robust evidence exists about the effectiveness of two-layer hosiery for ulcer healing and no previous trials have compared two-layer hosiery delivering 'high' compression with the 4LB. Part I To compare the clinical effectiveness and cost-effectiveness of HH and 4LB in terms of time to complete healing of venous leg ulcers. Part II To synthesise the relative effectiveness evidence (for ulcer healing) of high-compression treatments for venous leg ulcers using a mixed-treatment comparison (MTC). Part III To construct a decision-analytic model to assess the cost-effectiveness of high-compression treatments for venous leg ulcers. Part I A multicentred, pragmatic, two-arm, parallel, open randomised controlled trial (RCT) with an economic evaluation. Part II MTC using all relevant RCT data - including Venous leg Ulcer Study IV (VenUS IV). Part III A decision-analytic Markov model. Part I Community nurse teams or services, general practitioner practices, leg ulcer clinics, tissue viability clinics or services and wound clinics within England and Northern Ireland. Part I Patients aged ≥ 18 years with a venous leg ulcer, who were willing and able to tolerate high compression. Part I Participants in the

  16. Intergroup Conflict in Russia: Testing the Group Position Model

    ERIC Educational Resources Information Center

    Minescu, Anca; Poppe, Edwin

    2011-01-01

    The group position model (Blumer 1958; Bobo and Tuan 2006) assumes that attempting to secure a privileged position for the ingroup is a main determinant of perceived intergroup conflict. This assumption is tested with survey data collected in 1999 and 2000 among eight titular groups in autonomous republics of the Russian Federation. The survey…

  17. GOLD B-C-D groups or GOLD II-III-IV grades: Which one better reflects the functionality of patients with chronic obstructive pulmonary disease?

    PubMed

    Moreira, Graciane L; Donária, Leila; Furlanetto, Karina C; Paes, Thais; Sant'Anna, Thaís; Hernandes, Nidia A; Pitta, Fabio

    2015-05-01

    The aim of this article is to investigate which global initiative for chronic obstructive lung disease (GOLD) classification (B-C-D or II-III-IV) better reflects the functionality of patients with moderate to very severe chronic obstructive pulmonary disease (COPD). Ninety patients with COPD were classified according to the GOLD B-C-D and II-III-IV classifications. Functionality was assessed by different outcomes: 6-min walk test (6MWT), activities of daily living (ADL) (London Chest ADL Scale), and daily life activity/inactivity variables assessed by activity monitoring (SenseWear armband, Pittsburgh, Pennsylvania, USA). The 6MWT was the only outcome significantly associated with both the GOLD classifications. Good functionality as assessed by the 6MWT was observed in 80%, 69%, and 43.5% (GOLD B, C, and D, respectively) and 81%, 59%, and 29% (GOLD II, III, and IV, respectively) of the patients. Association (V Cramer's) and correlation (Spearman) coefficients of 6MWT with GOLD B-C-D and II-III-IV were V = 0.30, r = -0.35, and V = 0.37, r = -0.25, respectively. Neither GOLD classification showed V or r ≥ 0.30 with any other functionality outcome. Both the GOLD B-C-D and II-III-IV classifications do not reflect well COPD patients' functionality. Despite low association and correlation coefficients in general, both GOLD classifications were better associated with functional exercise capacity (6MWT) than with subjectively assessed ADL and objectively assessed outcomes of physical activity/inactivity. © The Author(s) 2015.

  18. Studies in astronomical time series analysis. IV - Modeling chaotic and random processes with linear filters

    NASA Technical Reports Server (NTRS)

    Scargle, Jeffrey D.

    1990-01-01

    While chaos arises only in nonlinear systems, standard linear time series models are nevertheless useful for analyzing data from chaotic processes. This paper introduces such a model, the chaotic moving average. This time-domain model is based on the theorem that any chaotic process can be represented as the convolution of a linear filter with an uncorrelated process called the chaotic innovation. A technique, minimum phase-volume deconvolution, is introduced to estimate the filter and innovation. The algorithm measures the quality of a model using the volume covered by the phase-portrait of the innovation process. Experiments on synthetic data demonstrate that the algorithm accurately recovers the parameters of simple chaotic processes. Though tailored for chaos, the algorithm can detect both chaos and randomness, distinguish them from each other, and separate them if both are present. It can also recover nonminimum-delay pulse shapes in non-Gaussian processes, both random and chaotic.

  19. Studies in astronomical time series analysis. IV - Modeling chaotic and random processes with linear filters

    NASA Technical Reports Server (NTRS)

    Scargle, Jeffrey D.

    1990-01-01

    While chaos arises only in nonlinear systems, standard linear time series models are nevertheless useful for analyzing data from chaotic processes. This paper introduces such a model, the chaotic moving average. This time-domain model is based on the theorem that any chaotic process can be represented as the convolution of a linear filter with an uncorrelated process called the chaotic innovation. A technique, minimum phase-volume deconvolution, is introduced to estimate the filter and innovation. The algorithm measures the quality of a model using the volume covered by the phase-portrait of the innovation process. Experiments on synthetic data demonstrate that the algorithm accurately recovers the parameters of simple chaotic processes. Though tailored for chaos, the algorithm can detect both chaos and randomness, distinguish them from each other, and separate them if both are present. It can also recover nonminimum-delay pulse shapes in non-Gaussian processes, both random and chaotic.

  20. Epidemiological surveillance of colonising group B Streptococcus epidemiology in the Lisbon and Tagus Valley regions, Portugal (2005 to 2012): emergence of a new epidemic type IV/clonal complex 17 clone.

    PubMed

    Florindo, C; Damiao, V; Silvestre, I; Farinha, C; Rodrigues, F; Nogueira, F; Martins-Pereira, F; Castro, R; Borrego, M J; Santos-Sanches, I

    2014-06-12

    This study presents the serotype distribution and the antibiotic resistance profile of 953 colonising group B Streptococcus (GBS) recovered from women of child bearing age (15 to 49 years) between 2005 and 2012 in the Lisbon and Tagus Valley region, Portugal. Overall, serotypes Ia, II, III, and V were the most common, accounting 752 of the 953 isolates (about 80%). However, there were changes in GBS distribution, in particular in the two last years of the study. Of note, the proportion of serotype IV isolates increased from 1% (2/148) in 2006 to 20% (19/97) in 2012. Also, considerable proportions of serotype IV isolates from 2010 to 2012 were respectively resistant to erythromycin (9/43; 21%) or clindamycin (6/43; 14%). The identification of nine serotype IV isolates presenting a novel association with the clonal complex (CC) 17 lineage, involving a putative capsular switch, may accentuate their virulence potential and ecological success. Molecular analysis of this subgroup of isolates revealed the presence of rib, IS (insertion sequence) 861 and GBSi1 group II intron within the C5a peptidase gene (scpB) – laminin-binding protein gene (lmb) region, reflecting high clonality and a putative common origin. A close surveillance of the emergent type IV/CC17 isolates is crucial considering the potential impact over GBS treatment guidelines and capsular vaccine development.

  1. The Stagger-grid: A grid of 3D stellar atmosphere models. IV. Limb darkening coefficients

    NASA Astrophysics Data System (ADS)

    Magic, Z.; Chiavassa, A.; Collet, R.; Asplund, M.

    2015-01-01

    Aims: We compute the emergent stellar spectra from the UV to far infrared for different viewing angles using realistic 3D model atmospheres for a large range in stellar parameters to predict the stellar limb darkening. Methods: We have computed full 3D LTE synthetic spectra based on 3D radiative hydrodynamic atmosphere models from the Stagger-grid in the ranges: Teff from 4000 to 7000 K, log g from 1.5 to 5.0, and [Fe/H], from -4.0 to +0.5. From the resulting intensities, we derived coefficients for the standard limb darkening laws considering a number of often-used photometric filters. Furthermore, we calculated theoretical transit light curves, in order to quantify the differences between predictions by the widely used 1D model atmosphere and our 3D models. Results: The 3D models are often found to predict steeper darkening towards the limb compared to the 1D models, mainly due to the temperature stratifications and temperature gradients being different in the 3D models compared to those predicted with 1D models based on the mixing length theory description of convective energy transport. The resulting differences in the transit light curves are rather small; however, these can be significant for high-precision observations of extrasolar transits, and are able to lower the residuals from the fits with 1D limb darkening profiles. Conclusions: We advocate the use of the new limb darkening coefficients provided for the standard four-parameter non-linear power law, which can fit the limb darkening more accurately than other choices. Full Table A.1 and the grid of spectra are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/573/A90, as well as at http://www.stagger-stars.net

  2. Soil clean up by in-situ surfactant flushing. IV. A two-component mathematical model

    SciTech Connect

    Wilson, D.J. ); Clarke, A.N. )

    1991-09-01

    A two-dimensional mathematical model is developed for in-situ surfactant flushing of contaminants from an aquifer by means of injection and recovery wells. The model tracks both surfactant concentration and contaminant concentration, and permits the use of the Langmuir, Freundlich, BET, or other adsorption isotherms for the contaminant-soil binding. The permeability of the aquifer is assumed to be constant and isotropic, and local equilibrium is assumed between adsorbed and solubilized contaminant.

  3. Variations on Debris Disks. IV. An Improved Analytical Model for Collisional Cascades

    NASA Astrophysics Data System (ADS)

    Kenyon, Scott J.; Bromley, Benjamin C.

    2017-04-01

    We derive a new analytical model for the evolution of a collisional cascade in a thin annulus around a single central star. In this model, r max the size of the largest object changes with time, {r}\\max \\propto {t}-γ , with γ ≈ 0.1-0.2. Compared to standard models where r max is constant in time, this evolution results in a more rapid decline of M d , the total mass of solids in the annulus, and L d , the luminosity of small particles in the annulus: {M}d\\propto {t}-(γ +1) and {L}d\\propto {t}-(γ /2+1). We demonstrate that the analytical model provides an excellent match to a comprehensive suite of numerical coagulation simulations for annuli at 1 au and at 25 au. If the evolution of real debris disks follows the predictions of the analytical or numerical models, the observed luminosities for evolved stars require up to a factor of two more mass than predicted by previous analytical models.

  4. An alternative Cattell-Horn-Carroll (CHC) factor structure of the WAIS-IV: age invariance of an alternative model for ages 70-90.

    PubMed

    Niileksela, Christopher R; Reynolds, Matthew R; Kaufman, Alan S

    2013-06-01

    The Wechsler Adult Intelligence Scale--Fourth Edition (WAIS-IV) is by the far the most popular intelligence test for the assessment of adults in clinical and neuropsychological practice. Despite a number of studies examining the factor structure of the WAIS-IV from a Cattell-Horn-Carroll (CHC) perspective (Benson, Hulac, & Kranzler, 2010; Ward, Bergman, & Hebert, 2012), a CHC interpretation of the WAIS-IV for individuals ages 70 and above has been absent from the literature. The exclusion of individuals ages 70 and above in previous research is likely due to the absence of several key supplemental subtests used to create a full CHC model. We provide an alternative five-factor CHC model of the WAIS-IV which includes only the subtests administered to individuals ages 70 and above in the standardization sample. Our results show (a) the alternative CHC model fits the data well; (b) this alternative CHC model met criteria for partial strict measurement invariance across the life span (only Similarities showed noninvariance) using strict criteria; (c) the five factors for ages 70-90 measure the same five CHC broad abilities identified in previous analyses reported for ages 16-69; and (d) the five-factor CHC solution for ages 70-90 is valid for the entire WAIS-IV age range and can be used whenever examiners administer the core battery but opt not to administer supplemental subtests. PsycINFO Database Record (c) 2013 APA, all rights reserved.

  5. Deciphering the crowd: modeling and identification of pedestrian group motion.

    PubMed

    Yücel, Zeynep; Zanlungo, Francesco; Ikeda, Tetsushi; Miyashita, Takahiro; Hagita, Norihiro

    2013-01-14

    Associating attributes to pedestrians in a crowd is relevant for various areas like surveillance, customer profiling and service providing. The attributes of interest greatly depend on the application domain and might involve such social relations as friends or family as well as the hierarchy of the group including the leader or subordinates. Nevertheless, the complex social setting inherently complicates this task. We attack this problem by exploiting the small group structures in the crowd. The relations among individuals and their peers within a social group are reliable indicators of social attributes. To that end, this paper identifies social groups based on explicit motion models integrated through a hypothesis testing scheme. We develop two models relating positional and directional relations. A pair of pedestrians is identified as belonging to the same group or not by utilizing the two models in parallel, which defines a compound hypothesis testing scheme. By testing the proposed approach on three datasets with different environmental properties and group characteristics, it is demonstrated that we achieve an identification accuracy of 87% to 99%. The contribution of this study lies in its definition of positional and directional relation models, its description of compound evaluations, and the resolution of ambiguities with our proposed uncertainty measure based on the local and global indicators of group relation.

  6. Modelling the run-up of significant wave groups

    NASA Astrophysics Data System (ADS)

    Brocchini, M.; Gentile, R.

    2001-10-01

    An approximate, but computationally exact, model is presented for evaluating the inundation characteristics of significant wave groups which propagate almost orthogonally to the coast on straight beaches. Run-up and depth-integrated velocities are computed on the assumption that a group of non-breaking waves of finite amplitude shoaling in shallow waters can be represented by a group of solitary-type pulses. The superposition of solitary-type pulses is studied by means of a theoretical model developed from that of Brocchini (1998) to explicitly account for beach slope variations. Characteristics of the groups of solitary pulses in shallow waters are defined by first generating a suitable number of sea states on the basis of spectral theory (Wallops spectrum) and, subsequently, by applying the theory of 'characteristic groups'. The model allows for direct, easy and fast computation of the flow properties of interest in terms of exact solutions. The application of the model is illustrated by computing the run-up properties of 'typical groups'. The role of the group characteristics and the beach slope on the run-up intensity is also investigated.

  7. Mathematical Modelling of Allelopathy: IV. Assessment of Contributions of Competition and Allelopathy to Interference by Barley

    PubMed Central

    Liu, De Li; An, Min; Johnson, I.R.; Lovett, J.V.

    2005-01-01

    One of the main challenges to the research on allelopathy is technically the separation of allelopathic effect from competition, and quantitatively, the assessment of the contribution of each component to overall interference. A simple mathematical model is proposed to calculate the contribution of allelopathy and competition to interference. As an example of applying the quantitative model to interference by barley (Hordeum vulgare cv. Triumph), the approach used was an addition of allelopathic effect, by an equivalent amount, to the environment of the test plant (white mustard, Sinapis alba), rather than elimination of competition. Experiments were conducted in glasshouse to determine the magnitude of the contributions of allelopathy and competition to interference by barley. The leachates of living barley roots significantly reduced the total dry weight of white mustard. The model involved the calculation of adjusted densities to an equivalent basis for modelling the contribution of allelopathy and competition to total interference. The results showed that allelopathy contributed 40%, 37% and 43% to interference by barley at 6, 12 and 18 white mustard pot−1. The consistency in magnitude of the calculated contribution of allelopathic effect by barley across various densities of receiver plant suggested that the adjusted equivalent density is effective and that the model is able to assess the contribution of each component of interference regardless of the density of receiver plant. PMID:19330162

  8. Mathematical Modelling of Allelopathy: IV. Assessment of Contributions of Competition and Allelopathy to Interference by Barley.

    PubMed

    Liu, De Li; An, Min; Johnson, I R; Lovett, J V

    2005-04-01

    One of the main challenges to the research on allelopathy is technically the separation of allelopathic effect from competition, and quantitatively, the assessment of the contribution of each component to overall interference. A simple mathematical model is proposed to calculate the contribution of allelopathy and competition to interference. As an example of applying the quantitative model to interference by barley (Hordeum vulgare cv. Triumph), the approach used was an addition of allelopathic effect, by an equivalent amount, to the environment of the test plant (white mustard, Sinapis alba), rather than elimination of competition. Experiments were conducted in glasshouse to determine the magnitude of the contributions of allelopathy and competition to interference by barley. The leachates of living barley roots significantly reduced the total dry weight of white mustard. The model involved the calculation of adjusted densities to an equivalent basis for modelling the contribution of allelopathy and competition to total interference. The results showed that allelopathy contributed 40%, 37% and 43% to interference by barley at 6, 12 and 18 white mustard pot(-1). The consistency in magnitude of the calculated contribution of allelopathic effect by barley across various densities of receiver plant suggested that the adjusted equivalent density is effective and that the model is able to assess the contribution of each component of interference regardless of the density of receiver plant.

  9. The basic I-V characteristics of memristor model: simulation and analysis

    NASA Astrophysics Data System (ADS)

    Ouaja Rziga, Faten; Mbarek, Khaoula; Ghedira, Sami; Besbes, Kamel

    2017-04-01

    The memristor is fundamental electrical element theoretically postulated by Leon Chua in 1971 and successfully fabricated by HP Labs in 2008. However, its electrical characteristics are not yet fully understood which really leads us to study the behavior of such devices. For this development, it is essential to analyze a simple and flexible memristor model, for that reason SPICE memristor model seems to be frequently usable, especially in recent years, for its highly flexible and product very reliable and suitable for the electronic application. The adjustment of this model is based on the implementation of several parameters, which enables the changing on the I- V characteristics of the device. Our aim is to analyze the functioning behavior of memristive devices within different types of the input voltage to demonstrate the flexibility and reliability of our work model. Our simulation results have been committed to prove the basic I- V characteristics of such device, the switching behavior of this model for different applications (biological, neuromorphic…).

  10. Functional renormalization group approach to the Kraichnan model.

    PubMed

    Pagani, Carlo

    2015-09-01

    We study the anomalous scaling of the structure functions of a scalar field advected by a random Gaussian velocity field, the Kraichnan model, by means of functional renormalization group techniques. We analyze the symmetries of the model and derive the leading correction to the structure functions considering the renormalization of composite operators and applying the operator product expansion.

  11. Freshman Interest Groups: Designing a Model for Success

    ERIC Educational Resources Information Center

    Ratliff, Gerald Lee

    2008-01-01

    Freshman Interest Groups (FIGS) have become a popular model for academic and student affairs colleagues who are concerned that first-year students learn to reflect on life experiences and daily events as part of the learning process. A well-designed FIG model meets the academic, social and career concerns for first-year students by providing an…

  12. A Human Relations Model for a Desegregated Group.

    ERIC Educational Resources Information Center

    Johnson, Nathan E.; Bash, James H.

    The human relation model discussed in this booklet serves the dual purpose of facilitating the development of equal human relations and the myriad aspects associated with desegregation. This is not considered a scientific report, but a guide to group discussion. Although the model presented is based on the most advanced findings from interaction…

  13. Investigating the LGBTQ Responsive Model for Supervision of Group Work

    ERIC Educational Resources Information Center

    Luke, Melissa; Goodrich, Kristopher M.

    2013-01-01

    This article reports an investigation of the LGBTQ Responsive Model for Supervision of Group Work, a trans-theoretical supervisory framework to address the needs of lesbian, gay, bisexual, transgender, and questioning (LGBTQ) persons (Goodrich & Luke, 2011). Findings partially supported applicability of the LGBTQ Responsive Model for Supervision…

  14. Explaining Cooperation in Groups: Testing Models of Reciprocity and Learning

    ERIC Educational Resources Information Center

    Biele, Guido; Rieskamp, Jorg; Czienskowski, Uwe

    2008-01-01

    What are the cognitive processes underlying cooperation in groups? This question is addressed by examining how well a reciprocity model, two learning models, and social value orientation can predict cooperation in two iterated n-person social dilemmas with continuous contributions. In the first of these dilemmas, the public goods game,…

  15. Investigating the LGBTQ Responsive Model for Supervision of Group Work

    ERIC Educational Resources Information Center

    Luke, Melissa; Goodrich, Kristopher M.

    2013-01-01

    This article reports an investigation of the LGBTQ Responsive Model for Supervision of Group Work, a trans-theoretical supervisory framework to address the needs of lesbian, gay, bisexual, transgender, and questioning (LGBTQ) persons (Goodrich & Luke, 2011). Findings partially supported applicability of the LGBTQ Responsive Model for Supervision…

  16. The Relational-Cultural Model: A Framework for Group Process

    ERIC Educational Resources Information Center

    Comstock, Dana L.; Duffey, Thelma; St. George, Holly

    2002-01-01

    The relational-cultural model of psychotherapy has been evolving for the past 20 years. Within this model, difficult group dynamics are conceptualized as the playing out of the central relational paradox. This paradox recognizes that an individual may yearn for connection but, out of a sense of fear, simultaneously employ strategies that restrict…

  17. Host cell invasion and oral infection by Trypanosoma cruzi strains of genetic groups TcI and TcIV from chagasic patients.

    PubMed

    Maeda, Fernando Yukio; Clemente, Tatiana Mordente; Macedo, Silene; Cortez, Cristian; Yoshida, Nobuko

    2016-04-01

    Outbreaks of acute Chagas disease by oral infection have been reported frequently over the last ten years, with higher incidence in northern South America, where Trypanosoma cruzi lineage TcI predominates, being responsible for the major cause of resurgent human disease, and a small percentage is identified as TcIV. Mechanisms of oral infection and host-cell invasion by these parasites are poorly understood. To address that question, we analyzed T. cruzi strains isolated from chagasic patients in Venezuela, Guatemala and Brazil. Trypanosoma cruzi metacyclic trypomastigotes were orally inoculated into mice. The mouse stomach collected four days later, as well as the stomach and the heart collected 30 days post-infection, were processed for histological analysis. Assays to mimic parasite migration through the gastric mucus layer were performed by counting the parasites that traversed gastric mucin-coated transwell filters. For cell invasion assays, human epithelial HeLa cells were incubated with metacyclic forms and the number of internalized parasites was counted. All TcI and TcIV T. cruzi strains were poorly infective by the oral route. Parasites were either undetectable or were detected in small numbers in the mouse stomach four days post oral administration. Replicating parasites were found in the stomach and/or in the heart 30 days post-infection. As compared to TcI lineage, the migration capacity of TcIV parasites through the gastric mucin-coated filter was higher but lower than that exhibited by TcVI metacyclic forms previously shown to be highly infective by the oral route. Expression of pepsin-resistant gp90, the surface molecule that downregulates cell invasion, was higher in TcI than in TcIV parasites and, accordingly, the invasion capacity of TcIV metacyclic forms was higher. Gp90 molecules spontaneously released by TcI metacyclic forms inhibited the parasite entry into host cells. TcI parasites exhibited low intracellular replication rate. Our findings

  18. Interaction of a cumulus cloud ensemble with the large-scale environment. IV - The discrete model

    NASA Technical Reports Server (NTRS)

    Lord, S. J.; Chao, W. C.; Arakawa, A.

    1982-01-01

    The Arakawa-Schubert (1974) parameterization is applied to a prognostic model of large-scale atmospheric circulations and used to analyze data in a general circulation model (GCM). The vertical structure of the large-scale model and the solution for the cloud subensemble thermodynamical properties are examined to choose cloud levels and representative regions. A mass flux distribution equation is adapted to formulate algorithms for calculating the large-scale forcing and the mass flux kernel, using either direct solution or linear programming. Finally, the feedback of the cumulus ensemble on the large-scale environment for a given subensemble mass flux is calculated. All cloud subensemble properties were determined from the conservation of mass, moist static energy, and total water.

  19. SPARC Groups: A Model for Incorporating Spiritual Psychoeducation into Group Work

    ERIC Educational Resources Information Center

    Christmas, Christopher; Van Horn, Stacy M.

    2012-01-01

    The use of spirituality as a resource for clients within the counseling field is growing; however, the primary focus has been on individual therapy. The purpose of this article is to provide counseling practitioners, administrators, and researchers with an approach for incorporating spiritual psychoeducation into group work. The proposed model can…

  20. SPARC Groups: A Model for Incorporating Spiritual Psychoeducation into Group Work

    ERIC Educational Resources Information Center

    Christmas, Christopher; Van Horn, Stacy M.

    2012-01-01

    The use of spirituality as a resource for clients within the counseling field is growing; however, the primary focus has been on individual therapy. The purpose of this article is to provide counseling practitioners, administrators, and researchers with an approach for incorporating spiritual psychoeducation into group work. The proposed model can…

  1. Group theory and biomolecular conformation: I. Mathematical and computational models

    PubMed Central

    Chirikjian, Gregory S

    2010-01-01

    Biological macromolecules, and the complexes that they form, can be described in a variety of ways ranging from quantum mechanical and atomic chemical models, to coarser grained models of secondary structure and domains, to continuum models. At each of these levels, group theory can be used to describe both geometric symmetries and conformational motion. In this survey, a detailed account is provided of how group theory has been applied across computational structural biology to analyze the conformational shape and motion of macromolecules and complexes. PMID:20827378

  2. A model of subjective probabilities from small groups

    NASA Technical Reports Server (NTRS)

    Ferrell, W. R.; Rehm, K.

    1982-01-01

    Methods for aggregating the opinions of individual forecasters in order to improve the quality of probabilistic forecasts are presented. Experimental results obtained by Seaver in his study of probability judgments by groups of four people are considered. The decision variable partition model of subjective probability and a simple model of the effects of interaction on judgments were used to simulate the group judgment of discrete probabilities investigated by Seaver. The initial results of the simulation are very promising in that (1) they show the principal effects Seaver observed and (2) these effects can, for the most part, be traced to specific characteristics of the models.

  3. A model of interaction between anticorruption authority and corruption groups

    SciTech Connect

    Neverova, Elena G.; Malafeyef, Oleg A.

    2015-03-10

    The paper provides a model of interaction between anticorruption unit and corruption groups. The main policy functions of the anticorruption unit involve reducing corrupt practices in some entities through an optimal approach to resource allocation and effective anticorruption policy. We develop a model based on Markov decision-making process and use Howard’s policy-improvement algorithm for solving an optimal decision strategy. We examine the assumption that corruption groups retaliate against the anticorruption authority to protect themselves. This model was implemented through stochastic game.

  4. Education as Experimentation: A Planned Variation Model. Volume IV-A: An Evaluation of Follow Through.

    ERIC Educational Resources Information Center

    Stebbins, Linda B.; And Others

    This segment of the national evaluation study of the Follow Through Planned Variation Model presents background information and discusses the evaluation of the progress of Cohort III entering-kindergarten children during 4 years of Follow Through participation. Also discussed, for the purpose of examining replicability of effects, is the progress…

  5. Black liquor combustion validated recovery boiler modeling: Final year report. Volume 4 (Appendix IV)

    SciTech Connect

    Grace, T.M.; Frederick, W.J.; Salcudean, M.; Wessel, R.A.

    1998-08-01

    This project was initiated in October 1990, with the objective of developing and validating a new computer model of a recovery boiler furnace using a computational fluid dynamics (CFD) code specifically tailored to the requirements for solving recovery boiler flows, and using improved submodels for black liquor combustion based on continued laboratory fundamental studies. The key tasks to be accomplished were as follows: (1) Complete the development of enhanced furnace models that have the capability to accurately predict carryover, emissions behavior, dust concentrations, gas temperatures, and wall heat fluxes. (2) Validate the enhanced furnace models, so that users can have confidence in the predicted results. (3) Obtain fundamental information on aerosol formation, deposition, and hardening so as to develop the knowledge base needed to relate furnace model outputs to plugging and fouling in the convective sections of the boiler. (4) Facilitate the transfer of codes, black liquid submodels, and fundamental knowledge to the US kraft pulp industry. Volume 4 contains the following appendix sections: Radiative heat transfer properties for black liquor combustion -- Facilities and techniques and Spectral absorbance and emittance data; and Radiate heat transfer determination of the optical constants of ash samples from kraft recovery boilers -- Calculation procedure; Computation program; Density determination; Particle diameter determination; Optical constant data; and Uncertainty analysis.

  6. A thermodynamic adsorption/entrapment model for selenium(IV) coprecipitation with calcite

    NASA Astrophysics Data System (ADS)

    Heberling, Frank; Vinograd, Victor L.; Polly, Robert; Gale, Julian D.; Heck, Stephanie; Rothe, Jörg; Bosbach, Dirk; Geckeis, Horst; Winkler, Björn

    2014-06-01

    Selenium is an environmentally relevant trace element, while the radioisotope 79Se is of particular concern in the context of nuclear waste disposal safety. Oxidized selenium species are relatively soluble and show only weak adsorption at common mineral surfaces. However, a possible sorption mechanism for selenium in the geosphere is the structural incorporation of selenium(IV) (selenite, SeO32-) into calcite (CaCO3). In this study we investigate the interactions between selenite and calcite by a series of experimental and computational methods with the aim to quantify selenite incorporation into calcite at standard conditions. We further seek to describe the thermodynamics of selenite-doped calcite, and selenite coprecipitation with calcite. The structure of the incorporated species is investigated using Se K-edge EXAFS (isotropic and polarization dependent) and results are compared to density functional theory (DFT) calculations. These investigations confirm structural incorporation of selenite into calcite by the substitution of carbonate for selenite, leading to the formation of a Ca(SeO3)X(CO3)(1-X) solid solution. Coprecipitation experiments at low supersaturation indicate a linear increase of the selenite to carbonate ratio in the solid with the increase of the selenite to carbonate ratio in the contact solution. This relationship can be described under the assumption of an ideal mixing between calcite and a virtual CaSeO3 endmember, whose standard Gibbs free energy (G0(CaSeO3_exp) = -953 ± 6 kJ/mol, log10(KSP(CaSeO3_exp)) = -6.7 ± 1.0) is defined by linear extrapolation of the excess free energy from the dilute Henry’s law domain to X(CaSeO3) = 1. In contrast to this experimental result, DFT and force field calculations predict the virtual bulk CaSeO3 endmember to be significantly less stable and more soluble: G0(CaSeO3 bulk) = -912 ± 10 kJ/mol and log10(KSP(CaSeO3_bulk)) = 0.5 ± 1.7. To explain this discrepancy we introduce a thermodynamic adsorption

  7. Growing network model for community with group structure

    NASA Astrophysics Data System (ADS)

    Noh, Jae Dong; Jeong, Hyeong-Chai; Ahn, Yong-Yeol; Jeong, Hawoong

    2005-03-01

    We propose a growing network model for a community with a group structure. The community consists of individual members and groups, gatherings of members. The community grows as a new member is introduced by an existing member at each time step. The new member then creates a new group or joins one of the groups of the introducer. We investigate the emerging community structure analytically and numerically. The group size distribution shows a power-law distribution for a variety of growth rules, while the activity distribution follows an exponential or a power law depending on the details of the growth rule. We also present an analysis of empirical data from online communities the “Groups” in http://www.yahoo.com and the “Cafe” in http://www.daum.net, which show a power-law distribution for a wide range of group sizes.

  8. Measures of discrimination for latent group-based trajectory models.

    PubMed

    Shah, Nilesh H; Hipwell, Alison E; Stepp, Stephanie D; Chang, Chung-Chou H

    2015-01-01

    In clinical research, patient care decisions are often easier to make if patients are classified into a manageable number of groups based on homogeneous risk patterns. Investigators can use latent group-based trajectory modeling to estimate the posterior probabilities that an individual will be classified into a particular group of risk patterns. Although this method is increasingly used in clinical research, there is currently no measure that can be used to determine whether an individual's group assignment has a high level of discrimination. In this study, we propose a discrimination index and provide confidence intervals of the probability of the assigned group for each individual. We also propose a modified form of entropy to measure discrimination. The two proposed measures were applied to assess the group assignments of the longitudinal patterns of conduct disorders among young adolescent girls.

  9. Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides

    SciTech Connect

    Bagus, Paul S.; Nelin, Connie J.; Ilton, Eugene S.

    2013-12-28

    A rigorous study is presented of the physical processes related to X-Ray photoelectron spectroscopy, XPS, in the 4f level of U oxides, which, as well as being of physical interest in themselves, are representative of XPS in heavy metal oxides. In particular, we present compelling evidence for a new view of the screening of core-holes that extends prior understandings. Our analysis of the screening focuses on the covalent mixing of high lying U and O orbitals as opposed to the, more common, use of orbitals that are nominally pure U or pure O. It is shown that this covalent mixing is quite different for the initial and final, core-hole, configurations and that this difference is directly related to the XPS satellite intensity. Furthermore, we show that the high-lying U d orbitals as well as the U(5f) orbital may both contribute to the core-hole screening, in contrast with previous work that has only considered screening through the U(5f) shell. The role of modifying the U-O interaction by changing the U-O distance has been investigated and an unexpected correlation between U-O distance and XPS satellite intensity has been discovered. The role of flourite and octahedral crystal structures for U(IV) oxides has been examined and relationships established between XPS features and the covalent interactions in the different structures. The physical views of XPS satellites as arising from shake processes or as arising from ligand to metal charge transfers are contrasted; our analysis provides strong support that shake processes give a more fundamental physical understanding than charge transfer. Our theoretical studies are based on rigorous, strictly ab initio determinations of the electronic structure of embedded cluster models of U oxides with formal U(VI) and U(IV) oxidation states. Our results provide a foundation that makes it possible to establish quantitative relationships between features of the XPS spectra and materials properties.

  10. Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides.

    PubMed

    Bagus, Paul S; Nelin, Connie J; Ilton, Eugene S

    2013-12-28

    A rigorous study is presented of the physical processes related to X-Ray photoelectron spectroscopy, XPS, in the 4f level of U oxides, which, as well as being of physical interest in themselves, are representative of XPS in heavy metal oxides. In particular, we present compelling evidence for a new view of the screening of core-holes that extends prior understandings. Our analysis of the screening focuses on the covalent mixing of high lying U and O orbitals as opposed to the, more common, use of orbitals that are nominally pure U or pure O. It is shown that this covalent mixing is quite different for the initial and final, core-hole, configurations and that this difference is directly related to the XPS satellite intensity. Furthermore, we show that the high-lying U d orbitals as well as the U(5f) orbital may both contribute to the core-hole screening, in contrast with previous work that has only considered screening through the U(5f) shell. The role of modifying the U-O interaction by changing the U-O distance has been investigated and an unexpected correlation between U-O distance and XPS satellite intensity has been discovered. The role of flourite and octahedral crystal structures for U(IV) oxides has been examined and relationships established between XPS features and the covalent interactions in the different structures. The physical views of XPS satellites as arising from shake processes or as arising from ligand to metal charge transfers are contrasted; our analysis provides strong support that shake processes give a more fundamental physical understanding than charge transfer. Our theoretical studies are based on rigorous, strictly ab initio determinations of the electronic structure of embedded cluster models of U oxides with formal U(VI) and U(IV) oxidation states. Our results provide a foundation that makes it possible to establish quantitative relationships between features of the XPS spectra and materials properties.

  11. Bayesian model reduction and empirical Bayes for group (DCM) studies.

    PubMed

    Friston, Karl J; Litvak, Vladimir; Oswal, Ashwini; Razi, Adeel; Stephan, Klaas E; van Wijk, Bernadette C M; Ziegler, Gabriel; Zeidman, Peter

    2016-03-01

    This technical note describes some Bayesian procedures for the analysis of group studies that use nonlinear models at the first (within-subject) level - e.g., dynamic causal models - and linear models at subsequent (between-subject) levels. Its focus is on using Bayesian model reduction to finesse the inversion of multiple models of a single dataset or a single (hierarchical or empirical Bayes) model of multiple datasets. These applications of Bayesian model reduction allow one to consider parametric random effects and make inferences about group effects very efficiently (in a few seconds). We provide the relatively straightforward theoretical background to these procedures and illustrate their application using a worked example. This example uses a simulated mismatch negativity study of schizophrenia. We illustrate the robustness of Bayesian model reduction to violations of the (commonly used) Laplace assumption in dynamic causal modelling and show how its recursive application can facilitate both classical and Bayesian inference about group differences. Finally, we consider the application of these empirical Bayesian procedures to classification and prediction. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

  12. Bayesian model reduction and empirical Bayes for group (DCM) studies

    PubMed Central

    Friston, Karl J.; Litvak, Vladimir; Oswal, Ashwini; Razi, Adeel; Stephan, Klaas E.; van Wijk, Bernadette C.M.; Ziegler, Gabriel; Zeidman, Peter

    2016-01-01

    This technical note describes some Bayesian procedures for the analysis of group studies that use nonlinear models at the first (within-subject) level – e.g., dynamic causal models – and linear models at subsequent (between-subject) levels. Its focus is on using Bayesian model reduction to finesse the inversion of multiple models of a single dataset or a single (hierarchical or empirical Bayes) model of multiple datasets. These applications of Bayesian model reduction allow one to consider parametric random effects and make inferences about group effects very efficiently (in a few seconds). We provide the relatively straightforward theoretical background to these procedures and illustrate their application using a worked example. This example uses a simulated mismatch negativity study of schizophrenia. We illustrate the robustness of Bayesian model reduction to violations of the (commonly used) Laplace assumption in dynamic causal modelling and show how its recursive application can facilitate both classical and Bayesian inference about group differences. Finally, we consider the application of these empirical Bayesian procedures to classification and prediction. PMID:26569570

  13. IFU spectroscopy of southern planetary nebulae IV: a physical model for IC 418

    NASA Astrophysics Data System (ADS)

    Dopita, M. A.; Ali, A.; Sutherland, R. S.; Nicholls, D. C.; Amer, M. A.

    2017-09-01

    We describe high spectral resolution, high dynamic range integral field spectroscopy of IC 418 covering the spectral range 3300-8950 Å and compare with earlier data. We determine line fluxes, derive chemical abundances, provide a spectrum of the central star and determine the shape of the nebular continuum. Using photoionization models, we derive the reddening function from the nebular continuum and recombination lines. The nebula has a very high inner ionization parameter. Consequently, radiation pressure dominates the gas pressure and dust absorbs a large fraction of ionizing photons. Radiation pressure induces increasing density with radius. From a photoionization analysis we derive central star parameters; log Teff = 4.525 K, log L*/L⊙ = 4.029, log g = 3.5 and using stellar evolutionary models we estimate an initial mass of 2.5 < M/M⊙ < 3.0. The inner filamentary shell is shocked by the rapidly increasing stellar wind ram pressure, and we model this as an externally photoionized shock. In addition, a shock is driven into the pre-existing asymptotic giant branch (AGB) stellar wind by the strong D-Type ionization front developed at the outer boundary of the nebula. From the dynamics of the inner mass-loss bubble and from stellar evolutionary models, we infer that the nebula became ionized in the last 100-200 yr, but evolved structurally during the ∼2000 yr since the central star evolved off the AGB. The estimated current mass-loss rate (\\dot{M} = 3.8× 10^{-8} M_{⊙} yr-1) and terminal velocity (v∞ ∼ 450 km s-1) are sufficient to excite the inner mass-loss bubble. While on the AGB, the central star lost mass at \\dot{M} = 2.1× 10^{-5} M_{⊙} yr-1 with outflow velocity ∼14 km s-1.

  14. A Mathematical Model of the Inertial Properties of a Carrier-Backpack System. Volume IV

    DTIC Science & Technology

    1982-05-01

    B.S., and Richard C. Nelson, Ph.D. 9. PERFORMING OR3ANIZATION NAME AND ADDRESS 10. PROGRAM ELEMENT, PROJECT, TASK BIomechanics Labo-atory AREA 6 WORK...Recommendations for rarther Study 30 Cited References 31 Appendices A. Clothing and Equipment Used in This Study 33 B. IMSL Policy Statement 49 C. The Biomechanica... biomechanics , researchers use a variety of research techn iques to evaluate various aspects of physical performance. Mathematical modeling is one

  15. Classifiers as a model-free group comparison test.

    PubMed

    Kim, Bommae; Oertzen, Timo von

    2017-04-03

    The conventional statistical methods to detect group differences assume correct model specification, including the origin of difference. Researchers should be able to identify a source of group differences and choose a corresponding method. In this paper, we propose a new approach of group comparison without model specification using classification algorithms in machine learning. In this approach, the classification accuracy is evaluated against a binomial distribution using Independent Validation. As an application example, we examined false-positive errors and statistical power of support vector machines to detect group differences in comparison to conventional statistical tests such as t test, Levene's test, K-S test, Fisher's z-transformation, and MANOVA. The SVMs detected group differences regardless of their origins (mean, variance, distribution shape, and covariance), and showed comparably consistent power across conditions. When a group difference originated from a single source, the statistical power of SVMs was lower than the most appropriate conventional test of the study condition; however, the power of SVMs increased when differences originated from multiple sources. Moreover, SVMs showed substantially improved performance with more variables than with fewer variables. Most importantly, SVMs were applicable to any types of data without sophisticated model specification. This study demonstrates a new application of classification algorithms as an alternative or complement to the conventional group comparison test. With the proposed approach, researchers can test two-sample data even when they are not certain which statistical test to use or when data violates the statistical assumptions of conventional methods.

  16. Renormalizable Models in Rank Tensorial Group Field Theory

    NASA Astrophysics Data System (ADS)

    Geloun, Joseph Ben

    2014-11-01

    Classes of renormalizable models in the Tensorial Group Field Theory framework are investigated. The rank d tensor fields are defined over d copies of a group manifold or with no symmetry and no gauge invariance assumed on the fields. In particular, we explore the space of renormalizable models endowed with a kinetic term corresponding to a sum of momenta of the form . This study is tailored for models equipped with Laplacian dynamics on G D (case a = 1) but also for more exotic nonlocal models in quantum topology (case 0 < a < 1). A generic model can be written , where k is the maximal valence of its interactions. Using a multi-scale analysis for the generic situation, we identify several classes of renormalizable actions, including matrix model actions. In this specific instance, we find a tower of renormalizable matrix models parametrized by . In a second part of this work, we study the UV behavior of the models up to maximal valence of interaction k = 6. All rank tensor models proved renormalizable are asymptotically free in the UV. All matrix models with k = 4 have a vanishing β-function at one-loop and, very likely, reproduce the same feature of the Grosse-Wulkenhaar model (Commun Math Phys 256:305, 2005).

  17. 40 CFR Appendix IV to Part 600 - Sample Fuel Economy Labels for 2008 Through 2012 Model Year Vehicles

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 31 2013-07-01 2013-07-01 false Sample Fuel Economy Labels for 2008... PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND GREENHOUSE GAS EXHAUST EMISSIONS OF MOTOR VEHICLES Pt. 600, App. IV Appendix IV to Part 600—Sample Fuel Economy Labels for 2008 Through 2012...

  18. Invariance of the Measurement Model Underlying the Wechsler Adult Intelligence Scale-IV in the United States and Canada

    ERIC Educational Resources Information Center

    Bowden, Stephen C.; Saklofske, Donald H.; Weiss, Lawrence G.

    2011-01-01

    A measurement model describes both the numerical and theoretical relationship between observed scores and the corresponding latent variables or constructs. Testing a measurement model across groups is required to determine if the tests scores are tapping the same constructs so that the same meaning can be ascribed to the scores. Contemporary tests…

  19. Invariance of the Measurement Model Underlying the Wechsler Adult Intelligence Scale-IV in the United States and Canada

    ERIC Educational Resources Information Center

    Bowden, Stephen C.; Saklofske, Donald H.; Weiss, Lawrence G.

    2011-01-01

    A measurement model describes both the numerical and theoretical relationship between observed scores and the corresponding latent variables or constructs. Testing a measurement model across groups is required to determine if the tests scores are tapping the same constructs so that the same meaning can be ascribed to the scores. Contemporary tests…

  20. Charter for the ARM Atmospheric Modeling Advisory Group

    SciTech Connect

    Advisory Group, ARM Atmospheric Modeling

    2016-05-01

    The Atmospheric Modeling Advisory Group of the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility is guided by the following: 1. The group will provide feedback on the overall project plan including input on how to address priorities and trade-offs in the modeling and analysis workflow, making sure the modeling follows general best practices, and reviewing the recommendations provided to ARM for the workflow implementation. 2. The group will consist of approximately 6 members plus the PI and co-PI of the Large-Eddy Simulation (LES) ARM Symbiotic Simulation and Observation (LASSO) pilot project. The ARM Technical Director, or his designee, serves as an ex-officio member. This size is chosen based on the ability to efficiently conduct teleconferences and to span the general needs for input to the LASSO pilot project.

  1. A meta-analytic review of the relationships between the five-factor model and DSM-IV-TR personality disorders: a facet level analysis.

    PubMed

    Samuel, Douglas B; Widiger, Thomas A

    2008-12-01

    Theory and research have suggested that the personality disorders contained within the American Psychiatric Association's Diagnostic and Statistical Manual of Mental Disorders (DSM-IV-TR) can be understood as maladaptive variants of the personality traits included within the five-factor model (FFM). The current meta-analysis of FFM personality disorder research both replicated and extended the 2004 work of Saulsman and Page (The five-factor model and personality disorder empirical literature: A meta-analytic review. Clinical Psychology Review, 23, 1055-1085) through a facet level analysis that provides a more specific and nuanced description of each DSM-IV-TR personality disorder. The empirical FFM profiles generated for each personality disorder were generally congruent at the facet level with hypothesized FFM translations of the DSM-IV-TR personality disorders. However, notable exceptions to the hypotheses did occur and even some findings that were consistent with FFM theory could be said to be instrument specific.

  2. Physics Based Model for Cryogenic Chilldown and Loading. Part IV: Code Structure

    NASA Technical Reports Server (NTRS)

    Luchinsky, D. G.; Smelyanskiy, V. N.; Brown, B.

    2014-01-01

    This is the fourth report in a series of technical reports that describe separated two-phase flow model application to the cryogenic loading operation. In this report we present the structure of the code. The code consists of five major modules: (1) geometry module; (2) solver; (3) material properties; (4) correlations; and finally (5) stability control module. The two key modules - solver and correlations - are further divided into a number of submodules. Most of the physics and knowledge databases related to the properties of cryogenic two-phase flow are included into the cryogenic correlations module. The functional form of those correlations is not well established and is a subject of extensive research. Multiple parametric forms for various correlations are currently available. Some of them are included into correlations module as will be described in details in a separate technical report. Here we describe the overall structure of the code and focus on the details of the solver and stability control modules.

  3. The conceptual basis of mathematics in cardiology IV: statistics and model fitting.

    PubMed

    Bates, Jason H T; Sobel, Burton E

    2003-06-01

    This is the fourth in a series of four articles developed for the readers of Coronary Artery Disease. Without language ideas cannot be articulated. What may not be so immediately obvious is that they cannot be formulated either. One of the essential languages of cardiology is mathematics. Unfortunately, medical education does not emphasize, and in fact, often neglects empowering physicians to think mathematically. Reference to statistics, conditional probability, multicompartmental modeling, algebra, calculus and transforms is common but often without provision of genuine conceptual understanding. At the University of Vermont College of Medicine, Professor Bates developed a course designed to address these deficiencies. The course covered mathematical principles pertinent to clinical cardiovascular and pulmonary medicine and research. It focused on fundamental concepts to facilitate formulation and grasp of ideas. This series of four articles was developed to make the material available for a wider audience. The articles will be published sequentially in Coronary Artery Disease. Beginning with fundamental axioms and basic algebraic manipulations they address algebra, function and graph theory, real and complex numbers, calculus and differential equations, mathematical modeling, linear system theory and integral transforms and statistical theory. The principles and concepts they address provide the foundation needed for in-depth study of any of these topics. Perhaps of even more importance, they should empower cardiologists and cardiovascular researchers to utilize the language of mathematics in assessing the phenomena of immediate pertinence to diagnosis, pathophysiology and therapeutics. The presentations are interposed with queries (by Coronary Artery Disease abbreviated as CAD) simulating the nature of interactions that occurred during the course itself. Each article concludes with one or more examples illustrating application of the concepts covered to

  4. Contribution of alpha3(IV)alpha4(IV)alpha5(IV) Collagen IV to the Mechanical Properties of the Glomerular Basement Membrane

    NASA Astrophysics Data System (ADS)

    Gyoneva, Lazarina

    The glomerular basement membrane (GBM) is a vital part of the blood-urine filtration barrier in the kidneys. In healthy GBMs, the main tension-resisting component is alpha3(IV)alpha4(IV)alpha5(IV) type IV collagen, but in some diseases it is replaced by other collagen IV isoforms. As a result, the GBM becomes leaky and disorganized, ultimately resulting in kidney failure. Our goal is to understanding the biomechanical aspects of the alpha3(IV)alpha4(IV)alpha5(IV) chains and how their absence could be responsible for (1) the initial injury to the GBM and (2) progression to kidney failure. A combination of experiments and computational models were designed for that purpose. A model basement membrane was used to compare experimentally the distensibility of tissues with the alpha3(IV)alpha4(IV)alpha5(IV) chains present and missing. The experiments showed basement membranes containing alpha3(IV)alpha4(IV)alpha5(IV) chains were less distensible. It has been postulated that the higher level of lateral cross-linking (supercoiling) in the alpha3(IV)alpha4(IV)alpha5(IV) networks contributes additional strength/stability to basement membranes. In a computational model of supercoiled networks, we found that supercoiling greatly increased the stiffness of collagen IV networks but only minimally decreased the permeability, which is well suited for the needs of the GBM. It is also known that the alpha3(IV)alpha4(IV)alpha5(IV) networks are more protected from enzymatic degradation, and we explored their significance in GBM remodeling. Our simulations showed that the more protected network was needed to prevent the system from entering a dangerous feedback cycle due to autoregulation mechanisms in the kidneys. Overall, the work adds to the evidence of biomechanical differences between the alpha3(IV)alpha4(IV)alpha5(IV) networks and other collagen IV networks, points to supercoiling as the main source of biomechanical differences, discusses the suitability of alpha3(IV)alpha4(IV

  5. Quantifying and Modeling Coordination and Coherence in Pedestrian Groups

    PubMed Central

    Kiefer, Adam W.; Rio, Kevin; Bonneaud, Stéphane; Walton, Ashley; Warren, William H.

    2017-01-01

    Coherent collective behavior emerges from local interactions between individuals that generate group dynamics. An outstanding question is how to quantify group coordination of non-rhythmic behavior, in order to understand the nature of these dynamics at both a local and global level. We investigate this problem in the context of a small group of four pedestrians walking to a goal, treating their speed, and heading as behavioral variables. To measure the local coordination between pairs of pedestrians, we employ cross-correlation to estimate coupling strength and cross-recurrence quantification (CRQ) analysis to estimate dynamic stability. When compared to reshuffled virtual control groups, the results indicate lower-dimensional behavior and a stronger, more stable coupling of walking speed in real groups. There were no differences in heading alignment observed between the real and virtual groups, due to the common goal. By modeling the local speed coupling, we can simulate coordination at the dyad and group levels. The findings demonstrate spontaneous coordination in pedestrian groups that gives rise to coherent global behavior. They also offer a methodological approach for investigating group dynamics in more complex settings. PMID:28701966

  6. Borderline and avoidant personality disorders and the five-factor model of personality: a comparison between DSM-IV diagnoses and NEO-PI-R.

    PubMed

    Wilberg, T; Urnes, O; Friis, S; Pedersen, G; Karterud, S

    1999-01-01

    A self-report measure of the Five-Factor Model (FFM) of personality, NEO-PI-R, was administered to a sample of patients with borderline (BPD, N = 29) or avoidant PD (AVPD, N = 34), admitted to a day treatment program, to investigate the NEO-PI-R profiles of the disorders, and the ability of NEO-PI-R to discriminate between the two disorders. The diagnoses were assessed according to the LEAD standard. AVPD was associated with high levels of Neuroticism and Agreeableness, and low levels of Extraversion and Conscientiousness. BPD was associated with high levels of Neuroticism and low levels of Agreeableness, Extraversion, and Conscientiousness. Eighty-eight percent of the AVPD group had high scores on Neuroticism and low scores on Extraversion, whereas 65% of the BPD group were high on Neuroticism and low on Agreeableness. The Extraversion and Agreeableness scales of NEO-PI-R discriminated between patients with BPD and those with AVPD. Patients with BPD scored significantly higher on the Angry Hostility and Impulsiveness subscales of Neuroticism and significantly lower on three Extraversion subscales, three Agreeableness subscales, and one Conscientiousness subscale. At the DSM-IV criterion level, there were more significant relationships between the subscales of NEO-PI-R and the AVPD criteria than with the BPD criteria. The findings suggest that the FFM has good discriminating ability regarding BPD and AVPD. However, there may be a closer conceptual relationship between the FFM and AVPD than between the FFM and BPD.

  7. Limiting case of modified electroweak model for contracted gauge group

    SciTech Connect

    Gromov, N. A.

    2011-06-15

    The modification of the Electroweak Model with 3-dimensional spherical geometry in the matter fields space is suggested. The Lagrangian of this model is given by the sum of the free (without any potential term) matter fields Lagrangian and the standard gauge fields Lagrangian. The vector boson masses are generated by transformation of this Lagrangian from Cartesian coordinates to coordinates on the sphere S{sup 3}. The limiting case of the bosonic part of the modified model, which corresponds to the contracted gauge group SU(2; j) x U(1) is discussed. Within framework of the limit model Z boson and electromagnetic fields can be regarded as external ones with respect to W-boson fields in the sence that W-boson fields do not effect on these external fields. The masses of all particles of the Electroweak Model remain the same, but field interactions in contracted model are more simple as compared with the standard Electroweak Model.

  8. Using an effective business model for group practice management.

    PubMed

    Hoerl, R

    1999-11-01

    Managing a group practice effectively can improve the practice's bottom line as well as attract a capital partner, if necessary. By addressing issues such as culture, values, governance, role definition, and expectations, group practices can clarify their vision and goals and run their business in an organized, efficient manner. When a group practice's physicians are committed to the success of the practice, they can work as a team to implement efficient operational procedures and optimize revenues. Effective business model components should be considered by both fledgling and mature practices.

  9. Binary choices in small and large groups: A unified model

    NASA Astrophysics Data System (ADS)

    Bischi, Gian-Italo; Merlone, Ugo

    2010-02-01

    Two different ways to model the diffusion of alternative choices within a population of individuals in the presence of social externalities are known in the literature. While Galam’s model of rumors spreading considers a majority rule for interactions in several groups, Schelling considers individuals interacting in one large group, with payoff functions that describe how collective choices influence individual preferences. We incorporate these two approaches into a unified general discrete-time dynamic model for studying individual interactions in variously sized groups. We first illustrate how the two original models can be obtained as particular cases of the more general model we propose, then we show how several other situations can be analyzed. The model we propose goes beyond a theoretical exercise as it allows modeling situations which are relevant in economic and social systems. We consider also other aspects such as the propensity to switch choices and the behavioral momentum, and show how they may affect the dynamics of the whole population.

  10. Single-Ion Anisotropy Estimates for the Rhenium(IV-Based) Molecular Magnets: Modeling and Simulations Studies

    NASA Astrophysics Data System (ADS)

    Kucharski, Łukasz; Kamieniarz, Grzegorz; Antkowiak, Michał; Drzewiński, Andrzej

    2014-06-01

    We prove that the tetranuclear oxalato-bridged complex Re3(IV)Ni(II) demonstrating the single molecule magnet behavior is a good anisotropic spin Heisenberg model. Our comprehensive analysis, based on an exact diagonalisation technique, genetic algorithm ideas, and EPR resonances, leads to a unique set of the single-ion anisotropy parameters (DRe/kB = -8.8 K, DNi/kB = 9.9 K, E = 0). The parameters determine the model that quantitatively describes the zero-field splitting as well as the temperature dependence of magnetic susceptibility and the field dependence of single-crystal magnetisation isotherms, they also reveal pronounced maxima in the field dependence of the differences between the transverse magnetisation components, which are directly related to the rhombicity factor E/D. They are noticeable enough to be detected experimentally and also occur for mononuclear complexes. Finally, we propose the rationale for the unusual reduction in the energy barrier with respect to the zero-field splitting.

  11. Novel web service selection model based on discrete group search.

    PubMed

    Zhai, Jie; Shao, Zhiqing; Guo, Yi; Zhang, Haiteng

    2014-01-01

    In our earlier work, we present a novel formal method for the semiautomatic verification of specifications and for describing web service composition components by using abstract concepts. After verification, the instantiations of components were selected to satisfy the complex service performance constraints. However, selecting an optimal instantiation, which comprises different candidate services for each generic service, from a large number of instantiations is difficult. Therefore, we present a new evolutionary approach on the basis of the discrete group search service (D-GSS) model. With regard to obtaining the optimal multiconstraint instantiation of the complex component, the D-GSS model has competitive performance compared with other service selection models in terms of accuracy, efficiency, and ability to solve high-dimensional service composition component problems. We propose the cost function and the discrete group search optimizer (D-GSO) algorithm and study the convergence of the D-GSS model through verification and test cases.

  12. Managing Model Data Introduced Uncertainties in Simulator Predictions for Generation IV Systems via Optimum Experimental Design

    SciTech Connect

    Turinsky, Paul J; Abdel-Khalik, Hany S; Stover, Tracy E

    2011-03-01

    An optimization technique has been developed to select optimized experimental design specifications to produce data specifically designed to be assimilated to optimize a given reactor concept. Data from the optimized experiment is assimilated to generate posteriori uncertainties on the reactor concept’s core attributes from which the design responses are computed. The reactor concept is then optimized with the new data to realize cost savings by reducing margin. The optimization problem iterates until an optimal experiment is found to maximize the savings. A new generation of innovative nuclear reactor designs, in particular fast neutron spectrum recycle reactors, are being considered for the application of closing the nuclear fuel cycle in the future. Safe and economical design of these reactors will require uncertainty reduction in basic nuclear data which are input to the reactor design. These data uncertainty propagate to design responses which in turn require the reactor designer to incorporate additional safety margin into the design, which often increases the cost of the reactor. Therefore basic nuclear data needs to be improved and this is accomplished through experimentation. Considering the high cost of nuclear experiments, it is desired to have an optimized experiment which will provide the data needed for uncertainty reduction such that a reactor design concept can meet its target accuracies or to allow savings to be realized by reducing the margin required due to uncertainty propagated from basic nuclear data. However, this optimization is coupled to the reactor design itself because with improved data the reactor concept can be re-optimized itself. It is thus desired to find the experiment that gives the best optimized reactor design. Methods are first established to model both the reactor concept and the experiment and to efficiently propagate the basic nuclear data uncertainty through these models to outputs. The representativity of the experiment

  13. Waste area Grouping 2 Phase I remedial investigation: Sediment and Cesium-137 transport modeling report

    SciTech Connect

    Clapp, R.B.; Bao, Y.S.; Moore, T.D.; Brenkert, A.L.; Purucker, S.T.; Reece, D.K.; Burgoa, B.B.

    1996-06-01

    This report is one of five reports issued in 1996 that provide follow-up information to the Phase I Remedial Investigation (RI) Report for Waste Area Grouping (WAG) 2 at Oak Ridge National Laboratory (ORNL). The five reports address areas of concern that may present immediate risk to public health at the Clinch River and ecological risk within WAG 2 at ORNL. A sixth report, on groundwater, in the series documenting WAG 2 RI Phase I results were part of project activities conducted in FY 1996. The five reports that complete activities conducted as part of Phase I of the Remedial Investigation (RI) for WAG 2 are as follows: (1) Waste Area Grouping 2, Phase I Task Data Report: Seep Data Assessment, (2) Waste Area Grouping 2, Phase I Task Data Report: Tributaries Data Assessment, (3) Waste Area Grouping 2, Phase I Task Data Report: Ecological Risk Assessment, (4) Waste Area Grouping 2, Phase I Task Data Report: Human Health Risk Assessment, (5) Waste Area Grouping 2, Phase I Task Data Report: Sediment and {sup 137}Cs Transport Modeling In December 1990, the Remedial Investigation Plan for Waste Area Grouping 2 at Oak Ridge National Laboratory was issued (ORNL 1990). The WAG 2 RI Plan was structured with a short-term component to be conducted while upgradient WAGs are investigated and remediated, and a long-term component that will complete the RI process for WAG 2 following remediation of upgradient WAGs. RI activities for the short-term component were initiated with the approval of the Environmental Protection Agency, Region IV (EPA), and the Tennessee Department of Environment and Conservation (TDEC). This report presents the results of an investigation of the risk associated with possible future releases of {sup 137}Cs due to an extreme flood. The results are based on field measurements made during storms and computer model simulations.

  14. The BOSS Emission-line Lens Survey. IV. Smooth Lens Models for the BELLS GALLERY Sample

    NASA Astrophysics Data System (ADS)

    Shu, Yiping; Bolton, Adam S.; Mao, Shude; Kochanek, Christopher S.; Pérez-Fournon, Ismael; Oguri, Masamune; Montero-Dorta, Antonio D.; Cornachione, Matthew A.; Marques-Chaves, Rui; Zheng, Zheng; Brownstein, Joel R.; Ménard, Brice

    2016-12-01

    We present Hubble Space Telescope F606W-band imaging observations of 21 galaxy-Lyα emitter lens candidates in the Baryon Oscillation Spectroscopic Survey Emission-Line Lens Survey (BELLS) for the GALaxy-Lyα EmitteR sYstems (BELLS GALLERY) survey. Seventeen systems are confirmed to be definite lenses with unambiguous evidence of multiple imaging. The lenses are primarily massive early-type galaxies (ETGs) at redshifts of approximately 0.55, while the lensed sources are Lyα emitters (LAEs) at redshifts from two to three. Although most of the lens systems are well fit by smooth lens models consisting of singular isothermal ellipsoids in an external shear field, a thorough exploration of dark substructures in the lens galaxies is required. The Einstein radii of the BELLS GALLERY lenses are, on average, 60% larger than those of the BELLS lenses because of the much higher source redshifts. This will allow for a detailed investigation of the radius evolution of the mass profile in ETGs. With the aid of the average ˜13× lensing magnification, the LAEs are frequently resolved into individual star-forming knots with a wide range of properties. They have characteristic sizes from less than 100 pc to several kiloparsecs, rest-frame far-UV apparent AB magnitudes from 29.6 to 24.2, and typical projected separations of 500 pc to 2 kpc. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the Data Archive at the Space Telescope Science Institute, which is operated by AURA, Inc., under NASA contract NAS 5-26555. These observations are associated with program #14189.

  15. Stabilizing l1-norm prediction models by supervised feature grouping.

    PubMed

    Kamkar, Iman; Gupta, Sunil Kumar; Phung, Dinh; Venkatesh, Svetha

    2016-02-01

    Emerging Electronic Medical Records (EMRs) have reformed the modern healthcare. These records have great potential to be used for building clinical prediction models. However, a problem in using them is their high dimensionality. Since a lot of information may not be relevant for prediction, the underlying complexity of the prediction models may not be high. A popular way to deal with this problem is to employ feature selection. Lasso and l1-norm based feature selection methods have shown promising results. But, in presence of correlated features, these methods select features that change considerably with small changes in data. This prevents clinicians to obtain a stable feature set, which is crucial for clinical decision making. Grouping correlated variables together can improve the stability of feature selection, however, such grouping is usually not known and needs to be estimated for optimal performance. Addressing this problem, we propose a new model that can simultaneously learn the grouping of correlated features and perform stable feature selection. We formulate the model as a constrained optimization problem and provide an efficient solution with guaranteed convergence. Our experiments with both synthetic and real-world datasets show that the proposed model is significantly more stable than Lasso and many existing state-of-the-art shrinkage and classification methods. We further show that in terms of prediction performance, the proposed method consistently outperforms Lasso and other baselines. Our model can be used for selecting stable risk factors for a variety of healthcare problems, so it can assist clinicians toward accurate decision making.

  16. Effects of tibial intraosseous and IV administration of vasopressin on kinetics and survivability in cardiac arrest.

    PubMed

    Johnson, Don; Giles, Kirk; Acuna, Alexis; Saenz, Crystal; Bentley, Michael; Budinich, Craig

    2016-03-01

    Purposes of this study were to compare tibial intraosseous (TIO) and intravenous (IV) administration of vasopressin relative to return of spontaneous circulation (ROSC) and time to ROSC in an adult swine cardiac arrest model. In addition, the purposes were to compare the concentration maximum (Cmax), time to maximum concentration (Tmax), and odds of ROSC. This was a between-subjects, prospective experimental study. Yorkshire swine (N = 21) were randomly assigned to 1 of 3 groups: TIO, IV, or control groups. The swine were anesthetized and instrumented, and then cardiac arrest was induced and sustained for 2 minutes. Cardiopulmonary resuscitation was initiated and continued for 2 minutes. Vasopressin was then administered via the TIO or IV route. Blood samples were collected for 4 minutes to determine the Cmax and Tmax of vasopressin. Concentration maximum and Tmax were calculated by use of liquid chromatography with mass spectrometry. There was no difference in ROSC between the TIO and IV groups (P = .63). The Cmax of vasopressin was significantly higher in the IV group compared to the TIO group (P = .017). However, there was no significant difference in ROSC, time to ROSC, or Tmax between groups (P > .05). All subjects had ROSC in both the IV and TIO groups, and none had ROSC in the control group. There was 225 times greater chance of survival for both the IV and TIO groups compared to the control group. The data support that the TIO is an effective route for vasopressin in a cardiac arrest model. Published by Elsevier Inc.

  17. Dimensional reduction of Markov state models from renormalization group theory

    NASA Astrophysics Data System (ADS)

    Orioli, S.; Faccioli, P.

    2016-09-01

    Renormalization Group (RG) theory provides the theoretical framework to define rigorous effective theories, i.e., systematic low-resolution approximations of arbitrary microscopic models. Markov state models are shown to be rigorous effective theories for Molecular Dynamics (MD). Based on this fact, we use real space RG to vary the resolution of the stochastic model and define an algorithm for clustering microstates into macrostates. The result is a lower dimensional stochastic model which, by construction, provides the optimal coarse-grained Markovian representation of the system's relaxation kinetics. To illustrate and validate our theory, we analyze a number of test systems of increasing complexity, ranging from synthetic toy models to two realistic applications, built form all-atom MD simulations. The computational cost of computing the low-dimensional model remains affordable on a desktop computer even for thousands of microstates.

  18. Dimensional reduction of Markov state models from renormalization group theory.

    PubMed

    Orioli, S; Faccioli, P

    2016-09-28

    Renormalization Group (RG) theory provides the theoretical framework to define rigorous effective theories, i.e., systematic low-resolution approximations of arbitrary microscopic models. Markov state models are shown to be rigorous effective theories for Molecular Dynamics (MD). Based on this fact, we use real space RG to vary the resolution of the stochastic model and define an algorithm for clustering microstates into macrostates. The result is a lower dimensional stochastic model which, by construction, provides the optimal coarse-grained Markovian representation of the system's relaxation kinetics. To illustrate and validate our theory, we analyze a number of test systems of increasing complexity, ranging from synthetic toy models to two realistic applications, built form all-atom MD simulations. The computational cost of computing the low-dimensional model remains affordable on a desktop computer even for thousands of microstates.

  19. Modelling animal group fission using social network dynamics.

    PubMed

    Sueur, Cédric; Maire, Anaïs

    2014-01-01

    Group life involves both advantages and disadvantages, meaning that individuals have to compromise between their nutritional needs and their social links. When a compromise is impossible, the group splits in order to reduce conflict of interests and favour positive social interactions between its members. In this study we built a dynamic model of social networks to represent a succession of temporary fissions involving a change in social relations that could potentially lead to irreversible group fission (i.e. no more group fusion). This is the first study that assesses how a social network changes according to group fission-fusion dynamics. We built a model that was based on different parameters: the group size, the influence of nutritional needs compared to social needs, and the changes in the social network after a temporary fission. The results obtained from this theoretical data indicate how the percentage of social relation transfer, the number of individuals and the relative importance of nutritional requirements and social links influence the average number of days before irreversible fission occurs. The greater the nutritional needs and the higher the transfer of social relations during temporary fission, the fewer days will be observed before an irreversible fission. It is crucial to bridge the gap between the individual and the population level if we hope to understand how simple, local interactions may drive ecological systems.

  20. Modelling Animal Group Fission Using Social Network Dynamics

    PubMed Central

    Sueur, Cédric; Maire, Anaïs

    2014-01-01

    Group life involves both advantages and disadvantages, meaning that individuals have to compromise between their nutritional needs and their social links. When a compromise is impossible, the group splits in order to reduce conflict of interests and favour positive social interactions between its members. In this study we built a dynamic model of social networks to represent a succession of temporary fissions involving a change in social relations that could potentially lead to irreversible group fission (i.e. no more group fusion). This is the first study that assesses how a social network changes according to group fission-fusion dynamics. We built a model that was based on different parameters: the group size, the influence of nutritional needs compared to social needs, and the changes in the social network after a temporary fission. The results obtained from this theoretical data indicate how the percentage of social relation transfer, the number of individuals and the relative importance of nutritional requirements and social links influence the average number of days before irreversible fission occurs. The greater the nutritional needs and the higher the transfer of social relations during temporary fission, the fewer days will be observed before an irreversible fission. It is crucial to bridge the gap between the individual and the population level if we hope to understand how simple, local interactions may drive ecological systems. PMID:24831471

  1. Schoolwide Mathematics Achievement within the Gifted Cluster Grouping Model

    ERIC Educational Resources Information Center

    Brulles, Dina; Peters, Scott J.; Saunders, Rachel

    2012-01-01

    An increasing number of schools are implementing gifted cluster grouping models as a cost-effective way to provide gifted services. This study is an example of comparative action research in the form of a quantitative case study that focused on mathematic achievement for nongifted students in a district that incorporated a schoolwide cluster…

  2. Group theoretical modeling of thermal explosion with reactant consumption

    NASA Astrophysics Data System (ADS)

    Ibragimov, Ranis N.; Dameron, Michael

    2012-09-01

    Today engineering and science researchers routinely confront problems in mathematical modeling involving nonlinear differential equations. Many mathematical models formulated in terms of nonlinear differential equations can be successfully treated and solved by Lie group methods. Lie group analysis is especially valuable in investigating nonlinear differential equations, for its algorithms act as reliably as for linear cases. The aim of this article is to provide the group theoretical modeling of the symmetrical heating of an exothermally reacting medium with approximations to the body's temperature distribution similar to those made by Thomas [17] and Squire [15]. The quantitative results were found to be in a good agreement with Adler and Enig in [1], where the authors were comparing the integral curves corresponding to the critical conditions for the first-order reaction. Further development of the modeling by including the critical temperature is proposed. Overall, it is shown, in particular, that the application of Lie group analysis allows one to extend the previous analytic results for the first order reactions to nth order ones.

  3. Schoolwide Mathematics Achievement within the Gifted Cluster Grouping Model

    ERIC Educational Resources Information Center

    Brulles, Dina; Peters, Scott J.; Saunders, Rachel

    2012-01-01

    An increasing number of schools are implementing gifted cluster grouping models as a cost-effective way to provide gifted services. This study is an example of comparative action research in the form of a quantitative case study that focused on mathematic achievement for nongifted students in a district that incorporated a schoolwide cluster…

  4. Evaluation of the Perceptual Grouping Parameter in the CTVA Model

    ERIC Educational Resources Information Center

    Santisteban, Carmen; Alvarado, Jesus M.; Cortijo, Manuel

    2005-01-01

    The CODE Theory of Visual Attention (CTVA) is a mathematical model explaining the effects of grouping by proximity and distance upon reaction times and accuracy of response with regard to elements in the visual display. The predictions of the theory agree quite acceptably in one and two dimensions (CTVA-2D) with the experimental results (reaction…

  5. Treating Families of Demented Patients: Two Group Models.

    ERIC Educational Resources Information Center

    Kramer, Joel

    The prevalence of dementias in the elderly is steadily increasing. While caring for a dementing patient at home, families are subject to tremendous physical stresses and emotional reactions such as guilt, anger, grief, role confusion, depression, resentment, and loneliness. Two group treatment models addressing the mental health needs of…

  6. Determination of Uncertainties for +III and +IV Actinide Solubilities in the WIPP Geochemistry Model for the 2009 Compliance Recertification Application

    NASA Astrophysics Data System (ADS)

    Ismail, A. E.; Xiong, Y.; Nowak, E. J.; Brush, L. H.

    2009-12-01

    The Waste Isolation Pilot Plant (WIPP) is a U.S. Department of Energy (DOE) repository in southeast New Mexico for defense-related transuranic (TRU) waste. Every five years, the DOE is required to submit an application to the Environmental Protection Agency (EPA) demonstrating the WIPP’s continuing compliance with the applicable EPA regulations governing the repository. Part of this recertification effort involves a performance assessment—a probabilistic evaluation of the repository performance with respect to regulatory limits on the amount of releases from the repository to the accessible environment. One of the models used as part of the performance assessment process is a geochemistry model, which predicts solubilities of the radionuclides in the brines that may enter the repository in the different scenarios considered by the performance assessment. The dissolved actinide source term comprises actinide solubilities, which are input parameters for modeling the transport of radionuclides as a result of brine flow through and from the repository. During a performance assessment, the solubilities are modeled as the product of a “base” solubility determined from calculations based on the chemical conditions expected in the repository, and an uncertainty factor that describes the potential deviations of the model from expected behavior. We will focus here on a discussion of the uncertainties. To compute a cumulative distribution function (CDF) for the uncertainties, we compare published, experimentally measured solubility data to predictions made using the established WIPP geochemistry model. The differences between the solubilities observed for a given experiment and the calculated solubilities from the model are used to form the overall CDF, which is then sampled as part of the performance assessment. We will discuss the methodology used to update the CDF’s for the +III actinides, obtained from data for Nd, Am, and Cm, and the +IV actinides, obtained

  7. Student Data Requirements of Lau Remedies and Texas Senate Bill 121. Title IV-C Pilot Program: An Educational Needs Projection Model. Project Report.

    ERIC Educational Resources Information Center

    Alston, Herbert L.

    The general purpose of the Title IV-C Pilot Program (An Educational Needs Projection Model) is to develop procedures for forecasting the personnel needed by the Houston Independent School District (HISD) for a five-year period in response to current and expected legislation and changing student population. The present report reviews: (1) the…

  8. Title IV-C Pilot Program: An Educational Needs Projection Model. Project Report. Estimates of Personnel Needed and Costs of HISD Bilingual Education Programs.

    ERIC Educational Resources Information Center

    Alston, Herbert L.

    The general purpose of this project (Title IV-C Pilot Program: An Educational Needs Projection Model) is to develop procedures for forecasting the personnel needed by the school district for a five-year period in response to current and expected legislation, changing student population, etc. During the first project year, 1976-77, emphasis is…

  9. School Improvement in Petersburg: A Comprehensive Three-Year Study of the Partnership for Achieving Successful Schools Initiative Model IV Intervention. Final Evaluation Report

    ERIC Educational Resources Information Center

    Edwards, Joanna; Smith, Karen; Marr, Linda; Wyshynski, Laura

    2005-01-01

    Dr. Jo Lynne DeMary, Virginia's state superintendent of public instruction, requested that the Appalachia Educational Laboratory at Edvantia work in partnership with the Virginia Department of Education and Petersburg City Schools to design and test the Partnership for Achieving Successful Schools Initiative (PA+SS) Model IV Intervention. The goal…

  10. Linear mixed-effects modeling approach to FMRI group analysis

    PubMed Central

    Chen, Gang; Saad, Ziad S.; Britton, Jennifer C.; Pine, Daniel S.; Cox, Robert W.

    2013-01-01

    Conventional group analysis is usually performed with Student-type t-test, regression, or standard AN(C)OVA in which the variance–covariance matrix is presumed to have a simple structure. Some correction approaches are adopted when assumptions about the covariance structure is violated. However, as experiments are designed with different degrees of sophistication, these traditional methods can become cumbersome, or even be unable to handle the situation at hand. For example, most current FMRI software packages have difficulty analyzing the following scenarios at group level: (1) taking within-subject variability into account when there are effect estimates from multiple runs or sessions; (2) continuous explanatory variables (covariates) modeling in the presence of a within-subject (repeated measures) factor, multiple subject-grouping (between-subjects) factors, or the mixture of both; (3) subject-specific adjustments in covariate modeling; (4) group analysis with estimation of hemodynamic response (HDR) function by multiple basis functions; (5) various cases of missing data in longitudinal studies; and (6) group studies involving family members or twins. Here we present a linear mixed-effects modeling (LME) methodology that extends the conventional group analysis approach to analyze many complicated cases, including the six prototypes delineated above, whose analyses would be otherwise either difficult or unfeasible under traditional frameworks such as AN(C)OVA and general linear model (GLM). In addition, the strength of the LME framework lies in its flexibility to model and estimate the variance–covariance structures for both random effects and residuals. The intraclass correlation (ICC) values can be easily obtained with an LME model with crossed random effects, even at the presence of confounding fixed effects. The simulations of one prototypical scenario indicate that the LME modeling keeps a balance between the control for false positives and the

  11. A tree-based model for homogeneous groupings of multinomials.

    PubMed

    Yang, Tae Young

    2005-11-30

    The motivation of this paper is to provide a tree-based method for grouping multinomial data according to their classification probability vectors. We produce an initial tree by binary recursive partitioning whereby multinomials are successively split into two subsets and the splits are determined by maximizing the likelihood function. If the number of multinomials k is too large, we propose to order the multinomials, and then build the initial tree based on a dramatically smaller number k-1 of possible splits. The tree is then pruned from the bottom up. The pruning process involves a sequence of hypothesis tests of a single homogeneous group against the alternative that there are two distinct, internally homogeneous groups. As pruning criteria, the Bayesian information criterion and the Wilcoxon rank-sum test are proposed. The tree-based model is illustrated on genetic sequence data. Homogeneous groupings of genetic sequences present new opportunities to understand and align these sequences.

  12. Astragaloside IV enhances cardioprotection of remote ischemic conditioning after acute myocardial infarction in rats

    PubMed Central

    Cheng, Songyi; Yu, Peng; Yang, Li; Shi, Haibo; He, Anxia; Chen, Hanyu; Han, Jie; Xie, Liang; Chen, Jiandong; Chen, Xiaohu

    2016-01-01

    Background: Remote ischemic conditioning (RIC) has been shown to be a practical method for protecting the heart from ischemic/reperfusion (I/R) injury. In the present study, we investigated whether or not the combination of RIC and Astragaloside IV (AS-IV) could improve cardioprotection against acute myocardial infarction (AMI)-induced heart failure (HF) when compared with individual treatments. Material and Methods: A rat model of AMI was established via permanent ligation of the left anterior descending coronary artery (LAD). Postoperatively, the rats were randomly grouped into a sham group (n=10), a model group (n=15), an AS-IV alone group (n=15), an RIC alone group (n=15) and a combined treatment group (AS-IV+RIC; n=15). All treatments were administered for 2 weeks. Results: After treatment for 2 weeks, the survival rate was improved, the cardiac function was preserved and the infarcted size was limited in AS-IV alone and RIC alone treatment groups compared to the model group, whereas the combined treatment yielded the most optimal protective effects. Additional studies suggested that AS-IV enhanced the cardioprotective effects of RIC by alleviating myocardial fibrosis, suppressing inflammation, attenuating apoptosis and ameliorating impairment of the myocardial ultrastructural. Conclusion: AS-IV enhances the cardioprotective effects of RIC against AMI-induced HF and ventricular remodeling, which represents a potential therapeutic approach for preserving cardiac function and improving the prognosis of AMI. PMID:27904669

  13. NMR studies demonstrate a unique AAB composition and chain register for a heterotrimeric type IV collagen model peptide containing a natural interruption site.

    PubMed

    Xiao, Jianxi; Sun, Xiuxia; Madhan, Balaraman; Brodsky, Barbara; Baum, Jean

    2015-10-02

    All non-fibrillar collagens contain interruptions in the (Gly-X-Y)n repeating sequence, such as the more than 20 interruptions found in chains of basement membrane type IV collagen. Two selectively doubly labeled peptides are designed to model a site in type IV collagen with a GVG interruption in the α1(IV) and a corresponding GISLK sequence within the α2(IV) chain. CD and NMR studies on a 2:1 mixture of these two peptides support the formation of a single-component heterotrimer that maintains the one-residue staggering in the triple-helix, has a unique chain register, and contains hydrogen bonds at the interruption site. Formation of hydrogen bonds at interruption sites may provide a driving force for self-assembly and chain register in type IV and other non-fibrillar collagens. This study illustrates the potential role of interruptions in the structure, dynamics, and folding of natural collagen heterotrimers and forms a basis for understanding their biological role. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  14. Introduction to the IWA task group on biofilm modeling.

    PubMed

    Noguera, D R; Morgenroth, E

    2004-01-01

    An International Water Association (IWA) Task Group on Biofilm Modeling was created with the purpose of comparatively evaluating different biofilm modeling approaches. The task group developed three benchmark problems for this comparison, and used a diversity of modeling techniques that included analytical, pseudo-analytical, and numerical solutions to the biofilm problems. Models in one, two, and three dimensional domains were also compared. The first benchmark problem (BM1) described a monospecies biofilm growing in a completely mixed reactor environment and had the purpose of comparing the ability of the models to predict substrate fluxes and concentrations for a biofilm system of fixed total biomass and fixed biomass density. The second problem (BM2) represented a situation in which substrate mass transport by convection was influenced by the hydrodynamic conditions of the liquid in contact with the biofilm. The third problem (BM3) was designed to compare the ability of the models to simulate multispecies and multisubstrate biofilms. These three benchmark problems allowed identification of the specific advantages and disadvantages of each modeling approach. A detailed presentation of the comparative analyses for each problem is provided elsewhere in these proceedings.

  15. Relationships between convective storms and their environment in AVE IV determined from a three-dimensional subsynoptic-scale, trajectory model

    NASA Technical Reports Server (NTRS)

    Wilson, G. S.

    1977-01-01

    The paper describes interrelationships between synoptic-scale and convective-scale systems obtained by following individual air parcels as they traveled within the convective storm environment of AVE IV. (NASA's fourth Atmospheric Variability Experiment, AVE IV, was a 36-hour study in April 1975 of the atmospheric variability and structure in regions of convective storms.) A three-dimensional trajectory model was used to calculate parcel paths, and manually digitized radar was employed to locate convective activity of various intensities and to determine those trajectories that traversed the storm environment. Spatial and temporal interrelationships are demonstrated by reference to selected time periods of AVE IV which contain the development and movement of the squall line in which the Neosho tornado was created.

  16. A model for the formation of the Local Group

    SciTech Connect

    Peebles, P.J.E.; Melott, A.L.; Holmes, M.R.; Jiang, L.R. Kansas Univ., Lawrence )

    1989-10-01

    Observational tests of a model for the formation of the Local Group are presented and analyzed in which the mass concentration grows by gravitational accretion of local-pressure matter onto two seed masses in an otherwise homogeneous initial mass distribution. The evolution of the mass distribution is studied in an analytic approximation and a numerical computation. The initial seed mass and separation are adjusted to produce the observed present separation and relative velocity of the Andromeda Nebula and the Galaxy. If H(0) is adjusted to about 80 km/s/Mpc with density parameter Omega = 1, then the model gives a good fit to the motions of the outer members of the Local Group. The same model gives particle orbits at radius of about 100 kpc that reasonably approximate the observed distribution of redshifts of the Galactic satellites. 47 refs.

  17. Nonmathematical Models for Evolution of Altruism, and for Group Selection

    PubMed Central

    Darlington, P. J.

    1972-01-01

    Mathematical biologists have failed to produce a satisfactory general model for evolution of altruism, i.e., of behaviors by which “altruists” benefit other individuals but not themselves; kin selection does not seem to be a sufficient explanation of nonreciprocal altruism. Nonmathematical (but mathematically acceptable) models are now proposed for evolution of negative altruism in dual-determinant and of positive altruism in tri-determinant systems. Peck orders, territorial systems, and an ant society are analyzed as examples. In all models, evolution is primarily by individual selection, probably supplemented by group selection. Group selection is differential extinction of populations. It can act only on populations preformed by selection at the individual level, but can either cancel individual selective trends (effecting evolutionary homeostasis) or supplement them; its supplementary effect is probably increasingly important in the evolution of increasingly organized populations. PMID:4501113

  18. A model for the formation of the Local Group

    NASA Technical Reports Server (NTRS)

    Peebles, P. J. E.; Melott, A. L.; Holmes, M. R.; Jiang, L. R.

    1989-01-01

    Observational tests of a model for the formation of the Local Group are presented and analyzed in which the mass concentration grows by gravitational accretion of local-pressure matter onto two seed masses in an otherwise homogeneous initial mass distribution. The evolution of the mass distribution is studied in an analytic approximation and a numerical computation. The initial seed mass and separation are adjusted to produce the observed present separation and relative velocity of the Andromeda Nebula and the Galaxy. If H(0) is adjusted to about 80 km/s/Mpc with density parameter Omega = 1, then the model gives a good fit to the motions of the outer members of the Local Group. The same model gives particle orbits at radius of about 100 kpc that reasonably approximate the observed distribution of redshifts of the Galactic satellites.

  19. Real space renormalization group theory of disordered models of glasses.

    PubMed

    Angelini, Maria Chiara; Biroli, Giulio

    2017-03-28

    We develop a real space renormalization group analysis of disordered models of glasses, in particular of the spin models at the origin of the random first-order transition theory. We find three fixed points, respectively, associated with the liquid state, with the critical behavior, and with the glass state. The latter two are zero-temperature ones; this provides a natural explanation of the growth of effective activation energy scale and the concomitant huge increase of relaxation time approaching the glass transition. The lower critical dimension depends on the nature of the interacting degrees of freedom and is higher than three for all models. This does not prevent 3D systems from being glassy. Indeed, we find that their renormalization group flow is affected by the fixed points existing in higher dimension and in consequence is nontrivial. Within our theoretical framework, the glass transition results in an avoided phase transition.

  20. Elasto-dynamic analysis of a gear pump-Part IV: Improvement in the pressure distribution modelling

    NASA Astrophysics Data System (ADS)

    Mucchi, E.; Dalpiaz, G.; Fernàndez del Rincòn, A.

    2015-01-01

    This work concerns external gear pumps for automotive applications, which operate at high speed and low pressure. In previous works of the authors (Part I and II, [1,2]), a non-linear lumped-parameter kineto-elastodynamic model for the prediction of the dynamic behaviour of external gear pumps was presented. It takes into account the most important phenomena involved in the operation of this kind of machine. The two main sources of noise and vibration are considered: pressure pulsation and gear meshing. The model has been used in order to foresee the influence of working conditions and design modifications on vibration generation. The model experimental validation is a difficult task. Thus, Part III proposes a novel methodology for the validation carried out by the comparison of simulations and experimental results concerning forces and moments: it deals with the external and inertial components acting on the gears, estimated by the model, and the reactions and inertial components on the pump casing and the test plate, obtained by measurements. The validation is carried out by comparing the level of the time synchronous average in the time domain and the waterfall maps in the frequency domain, with particular attention to identify system resonances. The validation results are satisfactory global, but discrepancies are still present. Moreover, the assessed model has been properly modified for the application to a new virtual pump prototype with helical gears in order to foresee gear accelerations and dynamic forces. Part IV is focused on improvements in the modelling and analysis of the phenomena bound to the pressure distribution around the gears in order to achieve results closer to the measured values. As a matter of fact, the simulation results have shown that a variable meshing stiffness has a notable contribution on the dynamic behaviour of the pump but this is not as important as the pressure phenomena. As a consequence, the original model was modified with

  1. Molecular and Genetic Analysis of Collagen Type IV Mutant Mouse Models of Spontaneous Intracerebral Hemorrhage Identify Mechanisms for Stroke Prevention

    PubMed Central

    Jeanne, Marion; Jorgensen, Jeff; Gould, Douglas B.

    2015-01-01

    Background Collagen type IV alpha 1 (COL4A1) and alpha 2 (COL4A2) form heterotrimers critical for vascular basement membrane stability and function. Patients with COL4A1 or COL4A2 mutations suffer from diverse cerebrovascular diseases including cerebral microbleeds, porencephaly and fatal intracerebral hemorrhage (ICH). However, the pathogenic mechanisms remain unknown and there is a lack of effective treatment. Methods and Results Using Col4a1 and Col4a2 mutant mouse models, we investigated the genetic complexity and cellular mechanisms underlying the disease. We found that Col4a1 mutations cause abnormal vascular development, which triggers small vessel disease, recurrent hemorrhagic strokes and age-related macro-angiopathy. We showed that allelic heterogeneity, genetic context and environmental factors, such as acute exercise or anticoagulant medication, modulated disease severity and contributed to phenotypic heterogeneity. We found that intracellular accumulation of mutant collagen in vascular endothelial cells and pericytes was a key triggering factor of ICH. Finally, we showed that treatment of mutant mice with a FDA-approved chemical chaperone resulted in a decreased collagen intracellular accumulation and a significant reduction of ICH severity. Conclusions Our data are the first to show therapeutic prevention in vivo of ICH due to Col4a1 mutation, and imply that a mechanism-based therapy promoting protein folding might also prevent ICH in patients with COL4A1 and COL4A2 mutations. PMID:25753534

  2. Obstacle avoidance in social groups: new insights from asynchronous models

    PubMed Central

    Croft, Simon; Budgey, Richard; Pitchford, Jonathan W.; Wood, A. Jamie

    2015-01-01

    For moving animals, the successful avoidance of hazardous obstacles is an important capability. Despite this, few models of collective motion have addressed the relationship between behavioural and social features and obstacle avoidance. We develop an asynchronous individual-based model for social movement which allows social structure within groups to be included. We assess the dynamics of group navigation and resulting collision risk in the context of information transfer through the system. In agreement with previous work, we find that group size has a nonlinear effect on collision risk. We implement examples of possible network structures to explore the impact social preferences have on collision risk. We show that any social heterogeneity induces greater obstacle avoidance with further improvements corresponding to groups containing fewer influential individuals. The model provides a platform for both further theoretical investigation and practical application. In particular, we argue that the role of social structures within bird flocks may have an important role to play in assessing the risk of collisions with wind turbines, but that new methods of data analysis are needed to identify these social structures. PMID:25833245

  3. Obstacle avoidance in social groups: new insights from asynchronous models.

    PubMed

    Croft, Simon; Budgey, Richard; Pitchford, Jonathan W; Wood, A Jamie

    2015-05-06

    For moving animals, the successful avoidance of hazardous obstacles is an important capability. Despite this, few models of collective motion have addressed the relationship between behavioural and social features and obstacle avoidance. We develop an asynchronous individual-based model for social movement which allows social structure within groups to be included. We assess the dynamics of group navigation and resulting collision risk in the context of information transfer through the system. In agreement with previous work, we find that group size has a nonlinear effect on collision risk. We implement examples of possible network structures to explore the impact social preferences have on collision risk. We show that any social heterogeneity induces greater obstacle avoidance with further improvements corresponding to groups containing fewer influential individuals. The model provides a platform for both further theoretical investigation and practical application. In particular, we argue that the role of social structures within bird flocks may have an important role to play in assessing the risk of collisions with wind turbines, but that new methods of data analysis are needed to identify these social structures.

  4. Discriminative Latent Models for Recognizing Contextual Group Activities

    PubMed Central

    Lan, Tian; Wang, Yang; Yang, Weilong; Robinovitch, Stephen N.; Mori, Greg

    2012-01-01

    In this paper, we go beyond recognizing the actions of individuals and focus on group activities. This is motivated from the observation that human actions are rarely performed in isolation; the contextual information of what other people in the scene are doing provides a useful cue for understanding high-level activities. We propose a novel framework for recognizing group activities which jointly captures the group activity, the individual person actions, and the interactions among them. Two types of contextual information, group-person interaction and person-person interaction, are explored in a latent variable framework. In particular, we propose three different approaches to model the person-person interaction. One approach is to explore the structures of person-person interaction. Differently from most of the previous latent structured models, which assume a predefined structure for the hidden layer, e.g., a tree structure, we treat the structure of the hidden layer as a latent variable and implicitly infer it during learning and inference. The second approach explores person-person interaction in the feature level. We introduce a new feature representation called the action context (AC) descriptor. The AC descriptor encodes information about not only the action of an individual person in the video, but also the behavior of other people nearby. The third approach combines the above two. Our experimental results demonstrate the benefit of using contextual information for disambiguating group activities. PMID:22144516

  5. Discriminative latent models for recognizing contextual group activities.

    PubMed

    Lan, Tian; Wang, Yang; Yang, Weilong; Robinovitch, Stephen N; Mori, Greg

    2012-08-01

    In this paper, we go beyond recognizing the actions of individuals and focus on group activities. This is motivated from the observation that human actions are rarely performed in isolation; the contextual information of what other people in the scene are doing provides a useful cue for understanding high-level activities. We propose a novel framework for recognizing group activities which jointly captures the group activity, the individual person actions, and the interactions among them. Two types of contextual information, group-person interaction and person-person interaction, are explored in a latent variable framework. In particular, we propose three different approaches to model the person-person interaction. One approach is to explore the structures of person-person interaction. Differently from most of the previous latent structured models, which assume a predefined structure for the hidden layer, e.g., a tree structure, we treat the structure of the hidden layer as a latent variable and implicitly infer it during learning and inference. The second approach explores person-person interaction in the feature level. We introduce a new feature representation called the action context (AC) descriptor. The AC descriptor encodes information about not only the action of an individual person in the video, but also the behavior of other people nearby. The third approach combines the above two. Our experimental results demonstrate the benefit of using contextual information for disambiguating group activities.

  6. Collective behavior in animal groups: theoretical models and empirical studies

    PubMed Central

    Giardina, Irene

    2008-01-01

    Collective phenomena in animal groups have attracted much attention in the last years, becoming one of the hottest topics in ethology. There are various reasons for this. On the one hand, animal grouping provides a paradigmatic example of self-organization, where collective behavior emerges in absence of centralized control. The mechanism of group formation, where local rules for the individuals lead to a coherent global state, is very general and transcends the detailed nature of its components. In this respect, collective animal behavior is a subject of great interdisciplinary interest. On the other hand, there are several important issues related to the biological function of grouping and its evolutionary success. Research in this field boasts a number of theoretical models, but much less empirical results to compare with. For this reason, even if the general mechanisms through which self-organization is achieved are qualitatively well understood, a quantitative test of the models assumptions is still lacking. New analysis on large groups, which require sophisticated technological procedures, can provide the necessary empirical data. PMID:19404431

  7. Morphodynamic modeling of an embayed beach under wave group forcing

    NASA Astrophysics Data System (ADS)

    Reniers, A. J. H. M.; Roelvink, J. A.; Thornton, E. B.

    2004-01-01

    The morphodynamic response of the nearshore zone of an embayed beach induced by wave groups is examined with a numerical model. The model utilizes the nonlinear shallow water equations to phase resolve the mean and infragravity motions in combination with an advection-diffusion equation for the sediment transport. The sediment transport associated with the short-wave asymmetry is accounted for by means of a time-integrated contribution of the wave nonlinearity using stream function theory. The two-dimensional (2-D) computations consider wave group energy made up of directionally spread, short waves with a zero mean approach angle with respect to the shore normal, incident on an initially alongshore uniform barred beach. Prior to the 2-D computations, the model is calibrated with prototype flume measurements of waves, currents, and bed level changes during erosive and accretive conditions. The most prominent feature of the 2-D model computations is the development of an alongshore quasi-periodic bathymetry of shoals cut by rip channels. Without directional spreading, the smallest alongshore separation of the rip channels is obtained, and the beach response is self-organizing in nature. Introducing a small amount of directional spreading (less than 2°) results in a strong increase in the alongshore length scales as the beach response changes from self-organizing to being quasi-forced. A further increase in directional spreading leads again to smaller length scales. The hypothesized correlation between the observed rip spacing and wave group forced edge waves over the initially alongshore uniform bathymetry is not found. However, there is a correlation between the alongshore length scales of the wave group-induced quasi-steady flow circulations and the eventual alongshore spacing of the rip channels. This suggests that the scouring associated with the quasi-steady flow induced by the initial wave groups triggers the development of rip channels via a positive feedback

  8. Cocaine self-administration punished by i.v. histamine in rat models of high and low drug abuse vulnerability: effects of saccharin preference, impulsivity, and sex.

    PubMed

    Holtz, Nathan A; Anker, Justin J; Regier, Paul S; Claxton, Alex; Carroll, Marilyn E

    2013-10-02

    A key feature of substance use disorders is continued drug consumption despite aversive consequences. This has been modeled in the animal laboratory by pairing drug self-administration with electric shock, thereby punishing drug intake (Deroche-Gamonet et al. 2004). In the present experiments, we examined the effects of punishment on i.v. cocaine self-administration by adding histamine to the cocaine solution with three different animal models of high and low vulnerability to drug abuse: rats selectively bred for high (HiS) and low (LoS) saccharin consumption, rats selected for high (HiI) and low (LoI) impulsivity, and sex differences. Animals were allowed to self-administer cocaine (0.4 mg/kg/infusion) to establish a baseline of operant responding. Histamine (4.0mg/kg/infusion) was then added directly into the cocaine solution and its consequent effects on self-administration were compared to baseline. The histamine+cocaine solution was then replaced with a cocaine-only solution, and the rats' operant responding was again compared to baseline. Concurrent histamine exposure was effective in reducing cocaine consumption in all groups of rats; however, LoS and female rats took longer to return to baseline levels of cocaine consumption after histamine was removed compared to HiS and male rats. These data suggest that the reduction of drug self-administration by aversive consequences may differ in groups that vary in drug use vulnerability . Such results may inform pharmacological strategies that enhance the negative aspects of drug consumption. © 2013.

  9. Tensor renormalization group methods for spin and gauge models

    NASA Astrophysics Data System (ADS)

    Zou, Haiyuan

    The analysis of the error of perturbative series by comparing it to the exact solution is an important tool to understand the non-perturbative physics of statistical models. For some toy models, a new method can be used to calculate higher order weak coupling expansion and modified perturbation theory can be constructed. However, it is nontrivial to generalize the new method to understand the critical behavior of high dimensional spin and gauge models. Actually, it is a big challenge in both high energy physics and condensed matter physics to develop accurate and efficient numerical algorithms to solve these problems. In this thesis, one systematic way named tensor renormalization group method is discussed. The applications of the method to several spin and gauge models on a lattice are investigated. theoretically, the new method allows one to write an exact representation of the partition function of models with local interactions. E.g. O(N) models, Z2 gauge models and U(1) gauge models. Practically, by using controllable approximations, results in both finite volume and the thermodynamic limit can be obtained. Another advantage of the new method is that it is insensitive to sign problems for models with complex coupling and chemical potential. Through the new approach, the Fisher's zeros of the 2D O(2) model in the complex coupling plane can be calculated and the finite size scaling of the results agrees well with the Kosterlitz-Thouless assumption. Applying the method to the O(2) model with a chemical potential, new phase diagram of the models can be obtained. The structure of the tensor language may provide a new tool to understand phase transition properties in general.

  10. Comparing Indirect Effects in Different Groups in Single-Group and Multi-Group Structural Equation Models

    PubMed Central

    Ryu, Ehri; Cheong, Jeewon

    2017-01-01

    In this article, we evaluated the performance of statistical methods in single-group and multi-group analysis approaches for testing group difference in indirect effects and for testing simple indirect effects in each group. We also investigated whether the performance of the methods in the single-group approach was affected when the assumption of equal variance was not satisfied. The assumption was critical for the performance of the two methods in the single-group analysis: the method using a product term for testing the group difference in a single path coefficient, and the Wald test for testing the group difference in the indirect effect. Bootstrap confidence intervals in the single-group approach and all methods in the multi-group approach were not affected by the violation of the assumption. We compared the performance of the methods and provided recommendations. PMID:28553248

  11. Pelagic functional group modeling: Progress, challenges and prospects

    NASA Astrophysics Data System (ADS)

    Hood, Raleigh R.; Laws, Edward A.; Armstrong, Robert A.; Bates, Nicholas R.; Brown, Christopher W.; Carlson, Craig A.; Chai, Fei; Doney, Scott C.; Falkowski, Paul G.; Feely, Richard A.; Friedrichs, Marjorie A. M.; Landry, Michael R.; Keith Moore, J.; Nelson, David M.; Richardson, Tammi L.; Salihoglu, Baris; Schartau, Markus; Toole, Dierdre A.; Wiggert, Jerry D.

    2006-03-01

    In this paper, we review the state of the art and major challenges in current efforts to incorporate biogeochemical functional groups into models that can be applied on basin-wide and global scales, with an emphasis on models that might ultimately be used to predict how biogeochemical cycles in the ocean will respond to global warming. We define the term "biogeochemical functional group" to refer to groups of organisms that mediate specific chemical reactions in the ocean. Thus, according to this definition, "functional groups" have no phylogenetic meaning—these are composed of many different species with common biogeochemical functions. Substantial progress has been made in the last decade toward quantifying the rates of these various functions and understanding the factors that control them. For some of these groups, we have developed fairly sophisticated models that incorporate this understanding, e.g. for diazotrophs (e.g. Trichodesmium), silica producers (diatoms) and calcifiers (e.g. coccolithophorids and specifically Emiliania huxleyi). However, current representations of nitrogen fixation and calcification are incomplete, i.e., based primarily upon models of Trichodesmium and E. huxleyi, respectively, and many important functional groups have not yet been considered in open-ocean biogeochemical models. Progress has been made over the last decade in efforts to simulate dimethylsulfide (DMS) production and cycling (i.e., by dinoflagellates and prymnesiophytes) and denitrification, but these efforts are still in their infancy, and many significant problems remain. One obvious gap is that virtually all functional group modeling efforts have focused on autotrophic microbes, while higher trophic levels have been completely ignored. It appears that in some cases (e.g., calcification), incorporating higher trophic levels may be essential not only for representing a particular biogeochemical reaction, but also for modeling export. Another serious problem is our

  12. A group decision-making model for siting LULUs

    SciTech Connect

    Juang, C.H.; Wu, S.; Sheu, H.J.

    1995-03-01

    This paper presents a group decision-making model for siting locally unwanted land uses (LULUs) such as hazardous and nonhazardous solid waste landfills. The new model is based on fuzzy set theory, which has been proven to be effective and efficient in handling ambiguous information such as opinions expressed by a panel of representatives with diverse backgrounds. The model involves an operation called fuzzy weighted average (FWA) for aggregating opinions. The weights used in the FWA operation are determined by the entropy method. Entropy is a measure of the uncertainty associated with a piece of information such as an opinion. By measuring the entropy of each of the opinions to be aggregated, the weight of each opinion may be objectively determined. The result of the FWA operation may be used to aid in making decisions. Examples are presented to illustrate the proposed model.

  13. Real-space renormalization group approach to the Anderson model

    NASA Astrophysics Data System (ADS)

    Campbell, Eamonn

    Many of the most interesting electronic behaviours currently being studied are associated with strong correlations. In addition, many of these materials are disordered either intrinsically or due to doping. Solving interacting systems exactly is extremely computationally expensive, and approximate techniques developed for strongly correlated systems are not easily adapted to include disorder. As a non-interacting disordered model, it makes sense to consider the Anderson model as a first step in developing an approximate method of solution to the interacting and disordered Anderson-Hubbard model. Our renormalization group (RG) approach is modeled on that proposed by Johri and Bhatt [23]. We found an error in their work which we have corrected in our procedure. After testing the execution of the RG, we benchmarked the density of states and inverse participation ratio results against exact diagonalization. Our approach is significantly faster than exact diagonalization and is most accurate in the limit of strong disorder.

  14. Solvable model in renormalization group analysis for effective eddy viscosity.

    PubMed

    Chang, Chien C; Lin, Bin-Shei; Wang, Chi-Tzung

    2003-04-01

    This study presents a solvable model in renormalization group analysis for the effective eddy viscosity. It is found fruitful to take a simple hypothesis that large-scale eddies are statistically independent of those of smaller scales. A limiting operation of renormalization group analysis yields an inhomogeneous ordinary differential equation for the invariant effective eddy viscosity. The closed-form solution of the equation facilitates derivations of an expression of the Kolmogorov constant C(K) and of the Smagorinsky model for large-eddy simulation of turbulent flow. The Smagorinsky constant C(S) is proportional to C(3/4)(K). In particular, we shall illustrate that the value of C(K) ranges from 1.35 to 2.06, which is in close agreement with the generally accepted experimental values (1.2 approximately 2.2).

  15. Ensemble renormalization group for the random-field hierarchical model.

    PubMed

    Decelle, Aurélien; Parisi, Giorgio; Rocchi, Jacopo

    2014-03-01

    The renormalization group (RG) methods are still far from being completely understood in quenched disordered systems. In order to gain insight into the nature of the phase transition of these systems, it is common to investigate simple models. In this work we study a real-space RG transformation on the Dyson hierarchical lattice with a random field, which leads to a reconstruction of the RG flow and to an evaluation of the critical exponents of the model at T=0. We show that this method gives very accurate estimations of the critical exponents by comparing our results with those obtained by some of us using an independent method.

  16. The monster sporadic group and a theory underlying superstring models

    SciTech Connect

    Chapline, G.

    1996-09-01

    The pattern of duality symmetries acting on the states of compactified superstring models reinforces an earlier suggestion that the Monster sporadic group is a hidden symmetry for superstring models. This in turn points to a supersymmetric theory of self-dual and anti-self-dual K3 manifolds joined by Dirac strings and evolving in a 13 dimensional spacetime as the fundamental theory. In addition to the usual graviton and dilaton this theory contains matter-like degrees of freedom resembling the massless states of the heterotic string, thus providing a completely geometric interpretation for ordinary matter. 25 refs.

  17. A model for amalgamation in group decision making

    NASA Technical Reports Server (NTRS)

    Cutello, Vincenzo; Montero, Javier

    1992-01-01

    In this paper we present a generalization of the model proposed by Montero, by allowing non-complete fuzzy binary relations for individuals. A degree of unsatisfaction can be defined in this case, suggesting that any democratic aggregation rule should take into account not only ethical conditions or some degree of rationality in the amalgamating procedure, but also a minimum support for the set of alternatives subject to the group analysis.

  18. Dynamic phenomena arising from an extended Core Group model.

    PubMed

    Greenhalgh, David; Griffiths, Martin

    2009-10-01

    In order to obtain a reasonably accurate model for the spread of a particular infectious disease through a population, it may be necessary for this model to possess some degree of structural complexity. Many such models have, in recent years, been found to exhibit a phenomenon known as backward bifurcation, which generally implies the existence of two subcritical endemic equilibria. It is often possible to refine these models yet further, and we investigate here the influence such a refinement may have on the dynamic behaviour of a system in the region of the parameter space near R(0)=1. We consider a natural extension to a so-called Core Group model for the spread of a sexually transmitted disease, arguing that this may in fact give rise to a more realistic model. From the deterministic viewpoint we study the possible shapes of the resulting bifurcation diagrams and the associated stability patterns. Stochastic versions of both the original and the extended models are also developed so that the probability of extinction and time to extinction may be examined, allowing us to gain further insights into the complex system dynamics near R(0)=1. A number of interesting phenomena are observed, for which heuristic explanations are provided.

  19. Characteristics of type IV collagen unfolding under various pH conditions as a model of pathological disorder in tissue.

    PubMed

    Shimizu, Akio; Kawai, Kenichi; Yanagino, Miki; Wakiyama, Toshiko; Machida, Minoru; Kameyama, Kohji; Naito, Zenya

    2007-07-01

    The overall structure of type IV collagen is the same at neutral and acidic pH, as determined by circular dichroism spectra. The heating rate dependence of denaturation midpoint temperature (T(m)) shows that type IV collagen is unstable at body temperature, similarly to type I collagen. The heating rate dependence of T(m) at neutral pH has two phases, but that at acidic pH apparently has a single phase. The T(m) of the first phase (lower T(m)) at neutral pH is consistent with that at acidic pH, and the activation energy of these phases is consistent, within experimental error. The triple helix region of type IV collagen corresponding to the second phase (higher T(m)) at neutral pH is thermally stable when compared to the triple helical structure at acidic pH. At acidic pH, as the loosely packed and unstable region has spread throughout the whole molecule, the thermal transition is thought to be cooperative and is observed as a single phase. Structural flexibility is related to protein function and assembly; therefore, the unstable structure and increased flexibility of type IV collagen induced at acidic pH may affect diseases accompanied by type IV collagen disorder.

  20. Temporal Lobe Reactions After Carbon Ion Radiation Therapy: Comparison of Relative Biological Effectiveness–Weighted Tolerance Doses Predicted by Local Effect Models I and IV

    SciTech Connect

    Gillmann, Clarissa; Jäkel, Oliver; Schlampp, Ingmar; Karger, Christian P.

    2014-04-01

    Purpose: To compare the relative biological effectiveness (RBE)–weighted tolerance doses for temporal lobe reactions after carbon ion radiation therapy using 2 different versions of the local effect model (LEM I vs LEM IV) for the same patient collective under identical conditions. Methods and Materials: In a previous study, 59 patients were investigated, of whom 10 experienced temporal lobe reactions (TLR) after carbon ion radiation therapy for low-grade skull-base chordoma and chondrosarcoma at Helmholtzzentrum für Schwerionenforschung (GSI) in Darmstadt, Germany in 2002 and 2003. TLR were detected as visible contrast enhancements on T1-weighted MRI images within a median follow-up time of 2.5 years. Although the derived RBE-weighted temporal lobe doses were based on the clinically applied LEM I, we have now recalculated the RBE-weighted dose distributions using LEM IV and derived dose-response curves with Dmax,V-1 cm³ (the RBE-weighted maximum dose in the remaining temporal lobe volume, excluding the volume of 1 cm³ with the highest dose) as an independent dosimetric variable. The resulting RBE-weighted tolerance doses were compared with those of the previous study to assess the clinical impact of LEM IV relative to LEM I. Results: The dose-response curve of LEM IV is shifted toward higher values compared to that of LEM I. The RBE-weighted tolerance dose for a 5% complication probability (TD{sub 5}) increases from 68.8 ± 3.3 to 78.3 ± 4.3 Gy (RBE) for LEM IV as compared to LEM I. Conclusions: LEM IV predicts a clinically significant increase of the RBE-weighted tolerance doses for the temporal lobe as compared to the currently applied LEM I. The limited available photon data do not allow a final conclusion as to whether RBE predictions of LEM I or LEM IV better fit better clinical experience in photon therapy. The decision about a future clinical application of LEM IV therefore requires additional analysis of temporal lobe reactions in a

  1. Model parameters for representative wetland plant functional groups

    USGS Publications Warehouse

    Williams, Amber S.; Kiniry, James R.; Mushet, David M.; Smith, Loren M.; McMurry, Scott T.; Attebury, Kelly; Lang, Megan; McCarty, Gregory W.; Shaffer, Jill A.; Effland, William R.; Johnson, Mari-Vaughn V.

    2017-01-01

    Wetlands provide a wide variety of ecosystem services including water quality remediation, biodiversity refugia, groundwater recharge, and floodwater storage. Realistic estimation of ecosystem service benefits associated with wetlands requires reasonable simulation of the hydrology of each site and realistic simulation of the upland and wetland plant growth cycles. Objectives of this study were to quantify leaf area index (LAI), light extinction coefficient (k), and plant nitrogen (N), phosphorus (P), and potassium (K) concentrations in natural stands of representative plant species for some major plant functional groups in the United States. Functional groups in this study were based on these parameters and plant growth types to enable process-based modeling. We collected data at four locations representing some of the main wetland regions of the United States. At each site, we collected on-the-ground measurements of fraction of light intercepted, LAI, and dry matter within the 2013–2015 growing seasons. Maximum LAI and k variables showed noticeable variations among sites and years, while overall averages and functional group averages give useful estimates for multisite simulation modeling. Variation within each species gives an indication of what can be expected in such natural ecosystems. For P and K, the concentrations from highest to lowest were spikerush (Eleocharis macrostachya), reed canary grass (Phalaris arundinacea), smartweed (Polygonum spp.), cattail (Typha spp.), and hardstem bulrush (Schoenoplectus acutus). Spikerush had the highest N concentration, followed by smartweed, bulrush, reed canary grass, and then cattail. These parameters will be useful for the actual wetland species measured and for the wetland plant functional groups they represent. These parameters and the associated process-based models offer promise as valuable tools for evaluating environmental benefits of wetlands and for evaluating impacts of various agronomic practices in

  2. Exploiting knowledge of R/Avr genes to rapidly clone a new LZ-NBS-LRR family of late blight resistance genes from potato linkage group IV.

    PubMed

    Lokossou, Anoma A; Park, Tae-ho; van Arkel, Gert; Arens, Marjon; Ruyter-Spira, Carolien; Morales, Juan; Whisson, Steve C; Birch, Paul R J; Visser, Richard G F; Jacobsen, Evert; van der Vossen, Edwin A G

    2009-06-01

    In addition to the resistance to Phytophthora infestans (Rpi) genes Rpi-blb1 and Rpi-blb2, Solanum bulbocastanum appears to harbor Rpi-blb3 located at a major late blight resistance locus on LG IV, which also harbors Rpi-abpt, R2, R2-like, and Rpi-mcd1 in other Solanum spp. Here, we report the cloning and functional analyses of four Rpi genes, using a map-based cloning approach, allele-mining strategy, Gateway technology, and transient complementation assays in Nicotiana benthamiana. Rpi-blb3, Rpi-abpt, R2, and R2-like contain all signature sequences characteristic of leucine zipper nucleotide binding site leucine-rich repeat (LZ-NBS-LRR) proteins, and share amino-acid sequences 34.9% similar to RPP13 from Arabidopsis thaliana. The LRR domains of all four Rpi proteins are highly homologous whereas LZ and NBS domains are more polymorphic, those of R2 being the most divergent. Clear blocks of sequence affiliation between the four functional resistance proteins and those encoded by additional Rpi-blb3 gene homologs suggest exchange of LZ, NBS, and LRR domains, underlining the modular nature of these proteins. All four Rpi genes recognize the recently identified RXLR effector PiAVR2.

  3. Structural characterization of the mesangial cell type IV collagenase and enhanced expression in a model of immune complex-mediated glomerulonephritis.

    PubMed Central

    Lovett, D. H.; Johnson, R. J.; Marti, H. P.; Martin, J.; Davies, M.; Couser, W. G.

    1992-01-01

    Secretion of glomerular cell-derived matrix metalloproteinases (MMPs) and their specific inhibitors, TIMP-1,2, may play an important role in the turnover of the glomerular extracellular matrix under basal and pathologic conditions. A 66-68 kd MMP secreted by cultured mesangial cells (MC) with activity against Type IV collagen and gelatin was purified and shown by amino-acid sequence analysis to be identical with a Type IV collagenase/gelatinase secreted by certain transformed tumor cell lines. The expression of the mesangial MMP in vivo was limited within the kidney to a small subset of the intrinsic glomerular mesangial cell population. After induction of acute anti-Thy 1.1 glomerulonephritis, there was a large increment in the number of Type IV collagenase-secreting MC, temporally coincident with the development of mesangial hypercellularity. The expression of the MMP inhibitor protein, TIMP-1, was not changed over this period. Ultrastructural studies localized the mesangial MMP to areas of evolving mesangiolysis and at sites of glomerular basement membrane disruption. Enhanced expression of the mesangial cell-derived Type IV collagenase may contribute to the evolution of glomerular injury in this model of immune complex-mediated glomerulonephritis or may be involved in the extensive matrix remodeling process that accompanies this form of glomerular injury. Images Figure 2 Figure 3 Figure 5 Figure 4 Figure 6 Figure 7 Figure 8 and Figure 9 Figure 10 Figure 11 Figure 12 PMID:1321565

  4. Characterization of the 9L gliosarcoma implanted in the Fischer rat: an orthotopic model for a grade IV brain tumor.

    PubMed

    Bouchet, Audrey; Bidart, Marie; Miladi, Imen; Le Clec'h, Céline; Serduc, Raphaël; Coutton, Charles; Regnard, Pierrick; Khalil, Enam; Dufort, Sandrine; Lemasson, Benjamin; Laissue, Jean; Pelletier, Laurent; Le Duc, Géraldine

    2014-07-01

    Among rodent models for brain tumors, the 9L gliosarcoma is one of the most widely used. Our 9L-European Synchrotron Radiation Facility (ESRF) model was developed from cells acquired at the Brookhaven National Laboratory (NY, USA) in 1997 and implanted in the right caudate nucleus of syngeneic Fisher rats. It has been largely used by the user community of the ESRF during the last decade, for imaging, radiotherapy, and chemotherapy, including innovative treatments based on particular irradiation techniques and/or use of new drugs. This work presents a detailed study of its characteristics, assessed by magnetic resonance imaging (MRI), histology, immunohistochemistry, and cytogenetic analysis. The data used for this work were from rats sampled in six experiments carried out over a 3-year period in our lab (total number of rats = 142). The 9L-ESRF tumors were induced by a stereotactic inoculation of 10(4) 9L cells in the right caudate nucleus of the brain. The assessment of vascular parameters was performed by MRI (blood volume fraction and vascular size index) and by immunostaining of vessels (rat endothelial cell antigen-1 and type IV collagen). Immunohistochemistry and regular histology were used to describe features such as tumor cell infiltration, necrosis area, nuclear pleomorphism, cellularity, mitotic characteristics, leukocytic infiltration, proliferation, and inflammation. Moreover, for each of the six experiments, the survival of the animals was assessed and related to the tumor growth observed by MRI or histology. Additionally, the cytogenetic status of the 9L cells used at ESRF lab was investigated by comparative genomics hybridization analysis. Finally, the response of the 9L-ESRF tumor to radiotherapy was estimated by plotting the survival curves after irradiation. The median survival time of 9L-ESRF tumor-bearing rats was highly reproducible (19-20 days). The 9L-ESRF tumors presented a quasi-exponential growth, were highly vascularized with a high

  5. Synthesis and Molecular Structure of a Water-Soluble, Dimeric Tri-Titanium(IV)-Substituted Wells-Dawson Polyoxometalate Containing Two Bridging (C5Me5)Rh2+ Groups.

    PubMed

    Matsuki, Yusuke; Hoshino, Takahiro; Takaku, Shoko; Matsunaga, Satoshi; Nomiya, Kenji

    2015-12-07

    A novel trititanium(IV)-substituted Wells-Dawson polyoxometalate (POM)-based organometallic complex, i.e., a dimeric POM containing two bridging Cp*Rh(2+) groups (Cp* = C5Me5) or [{α-P2W15Ti3O60(OH)2}2(Cp*Rh)2](16-) (D-1) with Ci symmetry, was synthesized in an analytically pure form by a 1:2 -molar ratio reaction of the organometallic precursor [Cp*RhCl2]2 with the separately prepared, monomeric trititanium(IV)-substituted Wells-Dawson POM, "[P2W15Ti3O59(OH)3](9-)" (M-1). The crystalline sample (NaK-D-1) of the water-soluble, mixed sodium/potassium salt of D-1 was obtained in the 14.7% yield, which has been characterized by complete elemental analysis, TG/DTA, FTIR, single-crystal X-ray structure analysis, and solution ((183)W, (31)P, (1)H and (13)C{(1)H}) NMR spectroscopy. Single-crystal X-ray structure analysis revealed that the two species of the protonated Wells-Dawson subunits, "[P2W15Ti3O60(OH)2](10-)" were bridged by the two Cp*Rh(2+) groups, resulting in the an overall Ci symmetry. The Cp*Rh(2+) groups were linked to the two terminal oxygen atoms of the titanium(IV) sites and one edge-sharing oxygen atom of the surface Ti-O-Ti bond. The (183)W NMR of D-1 dissolved in D2O showed that its solution structure was represented as a dimeric POM with a formula of [{α-P2W15Ti3O60(OH)3}2{Cp*Rh(OH)}2](16-) (D-2) with Ci (or S2) symmetry. A trititanium(IV)-substituted Wells-Dawson POM-supported organometallic complex has never been reported so far, and thus D-1 in the solid state and D-2 in solution are the first example of this type of complex.

  6. Lymantria dispar iflavirus 1 (LdIV1), a new model to study iflaviral persistence in lepidopterans

    USDA-ARS?s Scientific Manuscript database

    The cell line IPLB-LD-652Y derived from the gypsy moth (Lymantria dispar, Linn.) is routinely used to study insect virus-host interactions. Here we report the full genome sequence and biological characteristics of a small RNA virus, designated Lymantria dispar iflavirus 1 (LdIV1), that was discovere...

  7. Comparative study of hematological responses to platinum group metals, antimony and silver nanoparticles in animal models.

    PubMed

    Newkirk, Catherine E; Gagnon, Zofia E; Pavel Sizemore, Ioana E

    2014-01-01

    Research was conducted to examine the hematological effects of heavy metals (platinum (Pt ((IV))), palladium (Pd ((II))), rhodium (Rh ((III))), antimony (Sb ((III)) and Sb ((V))), and silver nanoparticles (AgNPs)) on white blood cells in mammalian (rat) and avian (chick embryo) models. These metals are used in many everyday products and are accumulating in our environment. Six-week old Sprague-Dawley female rats were treated daily by gavage and six-day old, fertile, specific pathogen-free white leghorn strain chick embryos' eggs were injected on days 7 and 14 of incubation with 0.0, 1.0, 5.0 or 10.0 ppm concentrations of Pt ((IV)) and a platinum group metal (PGM) mix of Pt ((IV)), Pd ((II)) and Rh ((III)). Chick embryos were also tested with 1.0 or 5.0 ppm of antimony compounds (Sb ((III)) and Sb ((V))) and 0.0, 15.0, 30.0, 60.0, or 100.0 ppm of silver nanoparticles (AgNPs). After 8 weeks of treatment, blood was obtained from the rats by jugular cut down and from chick embryos on day 20 of incubation by heart puncture. Blood smears were made and stained and a differential white cell count was performed on each. Examination of the smears revealed unconventional dose responses, stimulation of the immune response, and decreases in leukocyte production with various metals and concentrations. Chick embryos responded differently than rats to Pt and the PGM mix; suggesting that species differences and/or stage of development are important components of response to heavy metals. Route of administration of the metals might also influence the response. All of the heavy metals tested affected the immune responses of the tested animals as demonstrated by changes in the types and numbers of leukocytes. Our findings warrant further research to determine the mechanism of these effects and to understand and prevent toxicological effects in humans and other living organisms.

  8. The Task Demonstration Model: A Concurrent Model for Teaching Groups of Students with Severe Disabilities.

    ERIC Educational Resources Information Center

    Karsh, Kathryn G.; Repp, Alan C.

    1992-01-01

    This study investigated the use of the Task Demonstration Model (TDM) with 3 groups of students (ages 16-21) with severe or moderate retardation and compared it with the Standard Prompting Hierarchy. Percent and rate of correct responses indicate that TDM can be effective in a concurrent model of group instruction. (Author/JDD)

  9. A comparative study of the clinical efficacy and safety of agomelatine with escitalopram in major depressive disorder patients: A randomized, parallel-group, phase IV study

    PubMed Central

    Urade, Chetan S.; Mahakalkar, Sunil M.; Tiple, Prashant G.

    2015-01-01

    Objective: To compare the efficacy of agomelatine with escitalopram in the treatment of major depressive disorder (MDD), improve sleep in MDD patients and study the adverse effects of agomelatine. Materials and Methods: Randomized, parallel-group, open-label study. The primary efficacy outcome was change from baseline to last post-baseline value in Hamilton depression rating scale and Leeds sleep evaluation questionnaire scale. Both parametric and nonparametric tests were applied for analysis. Results: Within-group and between-groups comparison of the mean HAMD17 scores showed statistically significant changes (P < 0.0001). Escitalopram showed early onset of response and remission compared to agomelatine at 10th week (P < 0.0001) and 14th week (P < 0.0001), respectively. In agomelatine, within-group and between-groups change of the mean LSEQ score was statistically significant at subsequent follow-up visits (P < 0.0001). Conclusion: Escitalopram is superior to agomelatine in efficacy, considering the early response, early remission, and better relief from symptoms of MDD in adults. Agomelatine may be preferred in MDD patients having insomnia as a predominant symptom. Liver function monitoring should be done in patients on long-term agomelatine therapy. PMID:26813706

  10. Mouse models for xeroderma pigmentosum group A and group C show divergent cancer phenotypes.

    PubMed

    Melis, Joost P M; Wijnhoven, Susan W P; Beems, Rudolf B; Roodbergen, Marianne; van den Berg, Jolanda; Moon, Hojin; Friedberg, Errol; van der Horst, Gijsbertus T J; Hoeijmakers, Jan H J; Vijg, Jan; van Steeg, Harry

    2008-03-01

    The accumulation of DNA damage is a slow but hazardous phenomenon that may lead to cell death, accelerated aging, and cancer. One of the most versatile defense mechanisms against the accumulation of DNA damage is nucleotide excision repair, in which, among others, the Xeroderma pigmentosum group C (XPC) and group A (XPA) proteins are involved. To elucidate differences in the functions of these two proteins, comprehensive survival studies with Xpa(-/-), Xpc(-/-) and wild-type control female mice in a pure C57BL/6J background were done. The median survival of Xpc(-/-) mice showed a significant decrease, whereas the median survival of Xpa(-/-) mice did not. Strikingly, Xpa(-/-) and Xpc(-/-) mice also showed a phenotypical difference in terms of tumor spectrum. Xpc(-/-) mice displayed a significant increase in lung tumors and a trend toward increased liver tumors compared with Xpa-deficient or wild-type mice. Xpa(-/-) mice showed a significant elevation in liver tumors. Additionally, Xpc-deficient mice exhibited a strong increase in mutant frequency in lung compared with Xpa(-/-) mice, whereas in both models mutant frequency is increased in liver. Our in vitro data displayed an elevated sensitivity to oxygen in Xpc(-/-) in mouse embryonic fibroblasts (MEF) when compared with Xpa(-/-) and wild-type fibroblasts. We believe that XPC plays a role in the removal of oxidative DNA damage and that, therefore, Xpc(-/-) mice display a significant increase in lung tumors and a significant elevation in mutant frequency in lung, and Xpc-deficient MEFs show greater sensitivity to oxygen when compared with Xpa(-/-) and wild-type mice.

  11. A small group learning model for evidence-based medicine.

    PubMed

    Al Achkar, Morhaf; Davies, M Kelly

    2016-01-01

    Evidence-based medicine (EBM) skills are invaluable tools for residents and practicing physicians. The purpose of this study is to evaluate the effectiveness of small-group learning models in teaching fundamental EBM skills. The intervention consisted of an EBM bootcamp divided into four 2-hour sessions across 4-week rotations. Residents worked in small groups of three to four to explore fundamentals of EBM through interactive dialogue and mock clinical scenario practice. The intervention's effectiveness was evaluated using pre- and post-assessments. A total of 40 (93.0%) residents out of a potential 43 participated in the EBM bootcamps across the 3 years. There was significant improvement of 3.28 points on self-assessed EBM skills from an average of 9.66-12.945 out of a maximum score of 15 (P=0.000). There was significant improvement of 1.68 points on the EBM skills test from an average of 6.02-7.71 out of a maximum score of 9 (P=0.00). All residents (100%) agreed or strongly agreed that EBM is important for a physician's clinical practice. This view did not change after the training. A brief small-group interactive workshop in EBM basic skills at the start of residency was effective in developing fundamental EBM skills.

  12. A small group learning model for evidence-based medicine

    PubMed Central

    Al Achkar, Morhaf; Davies, M Kelly

    2016-01-01

    Background Evidence-based medicine (EBM) skills are invaluable tools for residents and practicing physicians. The purpose of this study is to evaluate the effectiveness of small-group learning models in teaching fundamental EBM skills. Methods The intervention consisted of an EBM bootcamp divided into four 2-hour sessions across 4-week rotations. Residents worked in small groups of three to four to explore fundamentals of EBM through interactive dialogue and mock clinical scenario practice. The intervention’s effectiveness was evaluated using pre- and post-assessments. Results A total of 40 (93.0%) residents out of a potential 43 participated in the EBM bootcamps across the 3 years. There was significant improvement of 3.28 points on self-assessed EBM skills from an average of 9.66–12.945 out of a maximum score of 15 (P=0.000). There was significant improvement of 1.68 points on the EBM skills test from an average of 6.02–7.71 out of a maximum score of 9 (P=0.00). All residents (100%) agreed or strongly agreed that EBM is important for a physician’s clinical practice. This view did not change after the training. Conclusion A brief small-group interactive workshop in EBM basic skills at the start of residency was effective in developing fundamental EBM skills. PMID:27822132

  13. Group-based modeling of ecological trajectories in restored wetlands.

    PubMed

    Matthews, Jeffrey W

    2015-03-01

    Repeated measures taken at the same restoration sites over time are used to describe restoration trajectories and identify sites that are trending toward unexpected outcomes. Analogously, social scientists use repeated measures of individuals to describe developmental trajectories of behaviors or other outcomes. Group-based trajectory modeling (GBTM) is one statistical method used in behavioral and health sciences for this purpose. I introduce the use of GBTM to identify clusters of similar restoration trajectories within a sample of sites. Data collected at 54 restored wetlands in Illinois for up to 15 years post-restoration were used to describe trajectories of six indicators: plant species richness, number of Carex (sedge) species, mean coefficient of conservatism (mean C), native plant cover, perennial plant cover, and planted species cover. For each indicator, I used GBTM to classify wetlands into three to four groups with distinct trajectories. In general, cover by native and planted species declined, while species richness and mean C increased over time or peaked then declined. Site context and management may explain trajectory group membership. Specifically, wetlands restored more recently and those restored within forested contexts were more likely to follow increasing trajectories. I show GBTM to be useful for identifying typical restoration trajectory patterns, developing hypotheses regarding factors driving those patterns and pinpointing critical times for intervention. Furthermore, GBTM might be applied more broadly in ecological research to identify common patterns of community assembly in large numbers of plots or sites.

  14. Validation of SCALE 4. 0 -- CSAS25 module and the 27-group ENDF/B-IV cross-section library for low-enriched uranium systems

    SciTech Connect

    Jordan, W.C.

    1993-02-01

    A version of KENO V.a and the 27-group library in SCALE-4.0 were validated for use in evaluating the nuclear criticality safety of low-enriched uranium systems. A total of 59 critical systems were analyzed. A statistical analysis of the results was performed, and subcritical acceptanced criteria are established.

  15. Validation of SCALE 4.0 -- CSAS25 module and the 27-group ENDF/B-IV cross-section library for low-enriched uranium systems

    SciTech Connect

    Jordan, W.C.

    1993-02-01

    A version of KENO V.a and the 27-group library in SCALE-4.0 were validated for use in evaluating the nuclear criticality safety of low-enriched uranium systems. A total of 59 critical systems were analyzed. A statistical analysis of the results was performed, and subcritical acceptanced criteria are established.

  16. Renormalization group flow equations for chiral nuclear models

    NASA Astrophysics Data System (ADS)

    Johnson, Andrew Sheriden

    1997-10-01

    The renormalization group (RG) is a tool for the qualitative and quantitative nonperturbative understanding of physical systems. There are many examples of physical systems that defy any perturbative approach, e.g. strongly correlated statistical systems and strongly coupled quantum field theories. The currently accepted theory of the strong interactions, Quantum Chromodynamics (QCD), is an example of the latter. Unlike the case of its gauge theory counterpart, Quantum Electrodynamics (QED), many consequences of QCD cannot be computed using perturbation theory. Instead, closed form perturbative solutions of QCD are possible only for a limited subset of phenomena such as high momentum-transfer scattering processes. These solutions afford little insight into the most ubiquitous and experimentally accessible consequences of QCD: the bound states of the theory, e.g. nucleons and nuclei. In this thesis we present a nonperturbative solution of the σ-model which was originally proposed in the late 50s as a phenomenological description of the dynamics of nucleons and mesons. In our version of the model the fermions are interpreted as quarks which interact via the sigma and pi mesons. The model exhibits an approximate SU(2) × SU(2) chiral symmetry which is understood as a low energy consequence of QCD. We use the Renormalization Group to study the behavior of the model as we evolve from a high to a low momentum scale and as chiral symmetry is both spontaneously and explicitly broken. The results show a marked improvement over the perturbative calculation and are consistent with experiment and other nonperturbative calculations such as chiral perturbation theory and lattice gauge theory. We next review the Renormalization Group idea first with a heuristic example drawing from the contrast between the hydrodynamic and the statistical continuum limit. For physical systems in which the microscopic behavior does not sufficiently decouple from the macroscopic behavior, the de

  17. Monte carlo estimates of uncertainties in predictions by a photochemical grid model (UAM-IV) due to uncertainties in input variables

    NASA Astrophysics Data System (ADS)

    Hanna, Steven R.; Chang, Joseph C.; Fernau, Mark E.

    Because photochemical grid models such as UAM-IV are being used to make policy decisions concerning emissions controls, it is important to know (1) the uncertainties in the model predictions due to the combined effects of uncertainties in the full set of input variables, and (2) the individual input parameters whose variations have the greatest effect on variations in model predictions. A preliminary Monte Carloun certainty analysis system has been developed and the methodology has been demonstrated using anapplication of the standard U.S. regulatory model, UAM-IV, to the 230 km by 290 km New York City domain for the 6-8 July 1988 ozone episode. As a first step, ten modeling experts were asked to estimate the typical uncertainties of 109 UAM-IV input parameters, including 23 variables related to emissions, boundary conditions, and meteorological conditions; and 86 variables related to chemical rate constants. For many of the model inputs, the assumed range of uncertainty was about plus or minus 30% of a normal mid-range value, and, in most cases, the distributions were assumed to have a log-normal shape. The regulatory agency's "base run" application of UAM-IV to this ozone episode was used to define the mid-range or median values of all input parameters. 50 Monte Carlo UAM-IV runs were then carried out by simple random sampling of each of the 109 input parameters from the assumed distributions. The 50 predicted values of peak hourly averaged ozone concentrations anywhere on the geographic domain for the episode were found to follow a log-normal distribution and exhibit a variability from 176 to 331 ppb. The locations of the 50 predicted ozone peaks varied from 100 km upwind (southwest) of New York City to 150 km down wind (northeast) of the city. Variability in the input parameter known as the anthropogenic volatile organic compound (VOC) area source emissions had the most influence on the variations in the 50 predicted peak ozone concentrations.

  18. Modeling Disease Progression via Fused Sparse Group Lasso

    PubMed Central

    Zhou, Jiayu; Liu, Jun; Narayan, Vaibhav A.; Ye, Jieping

    2013-01-01

    Alzheimer’s Disease (AD) is the most common neurodegenerative disorder associated with aging. Understanding how the disease progresses and identifying related pathological biomarkers for the progression is of primary importance in the clinical diagnosis and prognosis of Alzheimer’s disease. In this paper, we develop novel multi-task learning techniques to predict the disease progression measured by cognitive scores and select biomarkers predictive of the progression. In multi-task learning, the prediction of cognitive scores at each time point is considered as a task, and multiple prediction tasks at different time points are performed simultaneously to capture the temporal smoothness of the prediction models across different time points. Specifically, we propose a novel convex fused sparse group Lasso (cFSGL) formulation that allows the simultaneous selection of a common set of biomarkers for multiple time points and specific sets of biomarkers for different time points using the sparse group Lasso penalty and in the meantime incorporates the temporal smoothness using the fused Lasso penalty. The proposed formulation is challenging to solve due to the use of several non-smooth penalties. One of the main technical contributions of this paper is to show that the proximal operator associated with the proposed formulation exhibits a certain decomposition property and can be computed efficiently; thus cFSGL can be solved efficiently using the accelerated gradient method. To further improve the model, we propose two non-convex formulations to reduce the shrinkage bias inherent in the convex formulation. We employ the difference of convex (DC) programming technique to solve the non-convex formulations. We have performed extensive experiments using data from the Alzheimer’s Disease Neuroimaging Initiative (ADNI). Results demonstrate the effectiveness of the proposed progression models in comparison with existing methods for disease progression. We also perform

  19. Statistical modelling of supernova remnant populations in the Local Group

    NASA Astrophysics Data System (ADS)

    Sarbadhicary, S.; Badenes, C.; Chomiuk, L.; Caprioli, D.; Huizenga, D.

    2016-06-01

    Supernova remnants (SNRs) in the Local Group offer unique insights into the origin of different types of supernovae. However, the intrinsic diversity and environment-driven evolution of SNRs require the use of statistical methods to model SNR populations in the context of their host galaxy. We introduce a semi-analytic model for SNR radio light curves that uses the physics of shock propagation through the ISM, the resultant particle acceleration and the range of kinetic energies observed in supernovae. We use this model to reproduce the fundamental properties of observed SNR populations, taking into account the detection limits of radio surveys and the wealth of observational constraints on the stellar distribution and ISM structure of the host galaxy from radio, optical, and IR images. We can reproduce the observed radio luminosity function of SNRs in M33 with a SN rate of (3.5 - 4.3)x10^-3 SN per year and an electron acceleration efficiency, ɛ_e~0.01.This is the first measurement of ɛ_e using a large sample of SNRs. We show that dim Galactic SNRs like SN1006 would have been missed by archival radio surveys at the distance of M33, and we predict that most SNRs in M33 have radio visibility times of 20-80 kyrs that are correlated with the measured ISM column densities N_H: t_vis ~ N_H^a with α = -0.36(+0.01/-0.01), whereas a small fraction of SNRs have visibility times 10 kyrs that appear uncorrelated with column density. This observationally-anchored approach to the visibility time of SNRs will allow us to use SNR catalogs as SN surveys; to calculate SN rates and delay time distributions in the Local Group.

  20. Exploring the Impact of Students' Learning Approach on Collaborative Group Modeling of Blood Circulation

    ERIC Educational Resources Information Center

    Lee, Shinyoung; Kang, Eunhee; Kim, Heui-Baik

    2015-01-01

    This study aimed to explore the effect on group dynamics of statements associated with deep learning approaches (DLA) and their contribution to cognitive collaboration and model development during group modeling of blood circulation. A group was selected for an in-depth analysis of collaborative group modeling. This group constructed a model in a…