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Sample records for modeling group iv

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

    NASA Astrophysics Data System (ADS)

    Tan, Yaohua; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy B.; Klimeck, Gerhard

    2016-07-01

    It is critical to capture the effect due to strain and material interface for device level transistor modeling. We introduce a transferable s p3d5s* tight-binding model with nearest-neighbor interactions for arbitrarily strained group IV and III-V materials. The tight-binding model is parametrized with respect to hybrid functional (HSE06) calculations for varieties of strained systems. The tight-binding calculations of ultrasmall superlattices formed by group IV and group III-V materials show good agreement with the corresponding HSE06 calculations. The application of the tight-binding model to superlattices demonstrates that the transferable tight-binding model with nearest-neighbor interactions can be obtained for group IV and III-V materials.

  2. Group-IV semiconductor compounds

    SciTech Connect

    Berding, M.A.; Sher, A.; van Schilfgaarde, M.

    1997-08-01

    Properties of ordered group-IV compounds containing carbon, silicon, and germanium are calculated within the local density approximation. Twenty-seven fully relaxed compounds represented by seven different compound structures are compared and, with the exception of SiC, all compounds are found to be metastable. Two trends emerge: carbon-germanium bonds are disfavored, and compounds that have carbon on a common sublattice are the least unbound because of their relatively low strain. When carbon shares a sublattice with silicon or germanium, the large strain results in a narrowing of the band gap, and in some cases the compound is metallic. The most promising structures with the lowest excess energy contain carbon on one sublattice and although they do not lattice match to silicon, they match rather well to silicon carbide. {copyright} {ital 1997} {ital The American Physical Society}

  3. 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.

  4. 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.

  5. Models, Part IV: Inquiry Models.

    ERIC Educational Resources Information Center

    Callison, Daniel

    2002-01-01

    Discusses models for information skills that include inquiry-oriented activities. Highlights include WebQuest, which uses Internet resources supplemented with videoconferencing; Minnesota's Inquiry Process based on the Big Six model for information problem-solving; Indiana's Student Inquiry Model; constructivist learning models for inquiry; and…

  6. 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.

  7. A Renormalisation Group Method. IV. Stability Analysis

    NASA Astrophysics Data System (ADS)

    Brydges, David C.; Slade, Gordon

    2015-05-01

    This paper is the fourth in a series devoted to the development of a rigorous renormalisation group method for lattice field theories involving boson fields, fermion fields, or both. The third paper in the series presents a perturbative analysis of a supersymmetric field theory which represents the continuous-time weakly self-avoiding walk on . We now present an analysis of the relevant interaction functional of the supersymmetric field theory, which permits a nonperturbative analysis to be carried out in the critical dimension . The results in this paper include: proof of stability of the interaction, estimates which enable control of Gaussian expectations involving both boson and fermion fields, estimates which bound the errors in the perturbative analysis, and a crucial contraction estimate to handle irrelevant directions in the flow of the renormalisation group. These results are essential for the analysis of the general renormalisation group step in the fifth paper in the series.

  8. IVS Working Group 4: VLBI Data Structures

    NASA Astrophysics Data System (ADS)

    Gipson, J.

    2012-12-01

    I present an overview of the "openDB format" for storing, archiving, and processing VLBI data. In this scheme, most VLBI data is stored in NetCDF files. NetCDF has the advantage that there are interfaces to most common computer languages including Fortran, Fortran-90, C, C++, Perl, etc, and the most common operating systems including Linux, Windows, and Mac. The data files for a particular session are organized by special ASCII "wrapper" files which contain pointers to the data files. This allows great flexibility in the processing and analysis of VLBI data. For example it allows you to easily change subsets of the data used in the analysis such as troposphere modeling, ionospheric calibration, editing, and ambiguity resolution. It also allows for extending the types of data used, e.g., source maps. I present a roadmap to transition to this new format. The new format can already be used by VieVS and by the global mode of solve. There are plans in work for other software packages to be able to use the new format.

  9. Fleet Followup on Group IV Graduates of A Schools.

    ERIC Educational Resources Information Center

    Anderson, Adolph V.; And Others

    As part of the Navy's research on Project 100,000 personnel, several small units of Group IV men were assigned to six regular Class A Schools to determine whether or not they could successfully complete training in essentially unmodified courses. A 19-item questionnaire designed to gather information relative to work performance, potential, and…

  10. 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.

  11. 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.

  12. 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

  13. Group IV nanoparticles: synthesis, properties, and biological applications.

    PubMed

    Fan, Jiyang; Chu, Paul K

    2010-10-01

    In this review, the emerging roles of group IV nanoparticles including silicon, diamond, silicon carbide, and germanium are summarized and discussed from the perspective of biologists, engineers, and medical practitioners. The synthesis, properties, and biological applications of these new nanomaterials have attracted great interest in the past few years. They have gradually evolved into promising biomaterials due to their innate biocompatibility; toxic ions are not released when they are used in vitro or in vivo, and their wide fluorescence spectral regions span the near-infrared, visible, and near-ultraviolet ranges. Additionally, they generally have good resistance against photobleaching and have lifetimes on the order of nanoseconds to microseconds, which are suitable for bioimaging. Some of the materials possess unique mechanical, chemical, or physical properties, such as ultrachemical and thermal stability, high hardness, high photostability, and no blinking. Recent data have revealed the superiority of these nanoparticles in biological imaging and drug delivery. PMID:20730824

  14. 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.

  15. Ferroelectricity and Phase Transitions in Monolayer Group-IV Monochalcogenides.

    PubMed

    Fei, Ruixiang; Kang, Wei; Yang, Li

    2016-08-26

    Ferroelectricity usually fades away as materials are thinned down below a critical value. We reveal that the unique ionic-potential anharmonicity can induce spontaneous in-plane electrical polarization and ferroelectricity in monolayer group-IV monochalcogenides MX (M=Ge, Sn; X=S, Se). An effective Hamiltonian has been successfully extracted from the parametrized energy space, making it possible to study the ferroelectric phase transitions in a single-atom layer. The ferroelectricity in these materials is found to be robust and the corresponding Curie temperatures are higher than room temperature, making them promising for realizing ultrathin ferroelectric devices of broad interest. We further provide the phase diagram and predict other potentially two-dimensional ferroelectric materials. PMID:27610884

  16. Doping of indium phosphide with group IV elements

    SciTech Connect

    Zakharenkov, L.F.; Samorukov, B.E.; Zykov, A.M.

    1985-06-01

    This paper studies the doping of single crystals of indium phosphide (InP) with group IV elements using data obtained by measuring the total charge concentration of additives and carriers. Single crystals of indium phosphide were grown by the Czochralski method from liquid melts with a liquid hermetic seal in quartz cubicles. The total impurity concentration was determined by atomic-absorption analysis with + or - 10% error. In order to explain the behavior of germanium and tin in indium phosphide, the authors consider the bond energies of additives in indium phosphide and their tetrahedral radii. The authors conclude that the established higher amphoteric character of germanium with respect to tin is probably explained by the moduli of elasticity of the doped crystal.

  17. A nuclear magnetic resonance probe of group IV clathrates

    NASA Astrophysics Data System (ADS)

    Gou, Weiping

    The clathrates feature large cages of silicon, germanium, or tin, with guest atoms in the cage centers. The group IV clathrates are interesting because of their thermoelectric efficiency, and their glasslike thermal conductivity at low temperatures. Clathrates show a variety of properties, and the motion of cage center atoms is not well understood. In Sr8Ga16Ge30, we found that the slow atomic motion in the order 10-5 s is present in this system, which is much slower than what would be expected for standard atomic dynamics. NMR studies of Sr8Ga16Ge30 showed that Knight shift and T1 results are consistent with low density metallic behavior. The lineshapes exhibit changes consistent with motional narrowing at low temperatures, and this indicates unusually slow hopping rates. To further investigate this behavior, we made a series of measurements using the Carr-Purcell-Meiboom-Gill NMR sequence. Fitting the results to a hopping model yielded an activation energy of 4.6 K. We can understand all of our observations in terms of non-resonant atomic tunneling between asymmetric sites within the cages, in the presence of disorder. For Ba8Ga16Ge30, the relaxation behavior (T1) deviates from the Korringa relation, and the Knight shift and linewidth change with temperature. Those results could be explained by carrier freezout, and the development of a dilute set of magnetic moments due to these localized carriers. For Ba8Ga 16Ge30 samples made from Ga flux, we observed different T1 and Knight shift behavior as compared to n type material. This is due to the differences in carrier type among these different samples. The p type sample has a smaller Knight shift and a slower relaxation rate than n type samples made with the stoichiometric ratio, which is consistent with a change in orbital symmetry between the conduction and valence bands. WDS study for Ba8Al10Ge36 showed the existence of vacancies in the Al-deficient samples, which results in some degree of ordering of Al

  18. 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. PMID:17749730

  19. 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.

  20. 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

    ..., was published on January 9, 2012 (77 FR 1268). EPA has established the public docket for the proposed...: 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...

  1. Estimation of the isotope effect on the lattice thermal conductivity of group IV and group III-V semiconductors

    NASA Astrophysics Data System (ADS)

    Morelli, D. T.; Heremans, J. P.; Slack, G. A.

    2002-11-01

    The isotope effect on the lattice thermal conductivity for group IV and group III-V semiconductors is calculated using the Debye-Callaway model modified to include both transverse and longitudinal phonon modes explicitly. The frequency and temperature dependences of the normal and umklapp phonon-scattering rates are kept the same for all compounds. The model requires as adjustable parameters only the longitudinal and transverse phonon Grüneisen constants and the effective sample diameter. The model can quantitatively account for the observed isotope effect in diamond and germanium but not in silicon. The magnitude of the isotope effect is predicted for silicon carbide, boron nitride, and gallium nitride. In the case of boron nitride the predicted increase in the room-temperature thermal conductivity with isotopic enrichment is in excess of 100%. Finally, a more general method of estimating normal phonon-scattering rate coefficients for other types of solids is presented.

  2. 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…

  3. 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

  4. 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 inhabit…

  5. Bulk Modulus Calculations for Group-Iv Carbides and Group-Iii Nitrides

    NASA Astrophysics Data System (ADS)

    Mahmood, A.; Sansores, L. E.; Heiras, J.

    Wide band gap semiconductors such as group-IV carbides (SiC, GeC) and group-III nitrides (AlN, GaN and BN) are known to be important materials for novel semiconductor applications. They also have interesting mechanical properties such as having a particularly high value for their bulk modulus and are therefore potential candidates for hard coatings. In this paper we report the theoretical calculations for the bulk modulus for zincblende and wurzite polytypes of these materials. The Density Functional and Total-energy Pseudopotential Techniques in the Generalized Gradient approximation, an ab initio quantum mechanical method, is used to obtain the theoretical structure, from which equilibrium lattice parameters and volume of the cell versus pressure may be extracted. The Murnaghan's equation of state is then used to calculate bulk modulus under elastic deformation, which is related to the hardness of a material under certain conditions. The results for bulk modulus are compared with other theoretical and experimental values reported in the literature.

  6. Division Iv/v Working Group on Active B Stars

    NASA Astrophysics Data System (ADS)

    Peters, Geraldine J.; Jones, Carol E.; Townsend, Richard D.; Fabregat, Juan; Bjorkman, Karen S.; McSwain, M. Virginia; Mennickent, Ronald E.; Neiner, Coralie; Stee, Philippe; Fabregat, Juan

    2010-05-01

    The meeting of the Working Group on Active B Stars consisted of a business session followed by a scientific session containing nine talks. The titles of the talks and their presenters are listed below. We plan to publish a series of articles containing summaries of these talks in Issue No. 40 of the Be Star Newsletter. This report contains an account of the announcements made during the business session, an update on a forthcoming IAU Symposium on active B stars, a report on the status of the Be Star Newsletter, the results of the 2009 election of the SOC for the Working Group for 2009-12, a listing of the Working Group bylaws that were recently adopted, and a list of the scientific talks that we presented at the meeting.

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

    NASA Astrophysics Data System (ADS)

    Afanasieva, T.

    2016-08-01

    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.

  8. 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. PMID:27299666

  9. Divisions Iv-V / Working Group ap & Related Stars

    NASA Astrophysics Data System (ADS)

    Mathys, Gautier; Cunha, Margarida; Dworetsky, Michael; Kochukhov, Oleg; Kupka, Friedrich; LeBlanc, Francis; Monier, Richard; Paunzen, Ernst; Pintado, Olga; Piskunov, Nikolai; Ziznovsky, Jozef

    2012-04-01

    The purpose of the Working Group on Ap and Related Stars (ApWG) is to promote and facilitate research about stars in the spectral type range from B to early F that exhibit surface chemical peculiarities and related phenomena. This is a very active field of research, in which a wide variety of new developments have taken place since 2009, as illustrated by the following selected highlights.

  10. 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

    2014-04-01

    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. PMID:24617841

  11. 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

  12. 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

  13. 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

  14. Superlattices of group IV elements, a new possibility to produce direct band gap material

    NASA Astrophysics Data System (ADS)

    Kasper, E.

    1991-01-01

    Consideration is given to the diamond lattice type group IV semiconductors C, SiC, Si and Ge, which exhibit an indirect band gap with the conduction band minimum outside the Brillouin zone center. Ultrathin superlattices are predicted to convert the indirect band gap into a quasi-direct one under certain circumstances. Attention is also given to the growth of Si/Ge strained monolayer superlattices (SMS) by molecular beam epitaxy and experimental results obtained with these structures. The existing investigations of Si/Ge SMS have shown folded quasi-direct conditions in group IV superlattices.

  15. Theory and modeling group

    NASA Astrophysics Data System (ADS)

    Holman, Gordon D.

    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.

  16. 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.

  17. 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…

  18. 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

  19. 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

  20. 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.

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

    PubMed

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

    2015-04-01

    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. PMID:25739371

  2. 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…

  3. Purinergic 2 receptor blockade prevents the responses of group IV afferents to post-contraction circulatory occlusion

    PubMed Central

    Kindig, Angela E; Hayes, Shawn G; Kaufman, Marc P

    2007-01-01

    ATP, by activating purinergic 2 (P2) receptors on group III and IV afferents, is thought to evoke the metabolic component of the exercise pressor reflex. Previously we have shown that injection of PPADS, a P2 receptor antagonist, into the arterial supply of skeletal muscle of decerebrated cats attenuated the responses of group III and IV afferents to static contraction while the muscles were freely perfused. We have now tested the hypothesis that injection of PPADS (10 mg kg−1) attenuated the responses of group III (n = 13) and group IV afferents (n = 9) to post-contraction circulatory occlusion. In the present study, we found that PPADS attenuated the group III afferent responses to static contraction during circulatory occlusion (P < 0.05). Likewise, PPADS abolished the group IV afferent responses to static contraction during occlusion (P = 0.001). During a 1 minute period of post-contraction circulatory occlusion, four of the 13 group III afferents and eight of the nine group IV afferents maintained their increased discharge. A Fischer's exact probability test revealed that more group IV afferents than group III afferents were stimulated by post-contraction circulatory occlusion (P < 0.02). In addition, the nine group IV afferents increased their mean discharge rate over baseline levels during the post-contraction circulatory occlusion period, whereas the 13 group III afferents did not (P < 0.05). PPADS abolished this post-contraction increase in discharge by the group IV afferents (P < 0.05). Our findings suggest that P2 receptors on group IV afferents play a role in evoking the metabolic component of the exercise pressor reflex. PMID:17038431

  4. Preliminary results of GODIVA-IV prompt burst modeling

    SciTech Connect

    Kimpland, R.

    1996-06-01

    The dynamic computer model developed to simulate GODIVA-IV prompt bursts adequately predicts the magnitude of power bursts. Also, it demonstrates the characteristic features of prompt bursts in metal assemblies, such as the change in shape of power pulses and the ringing of fuel surfaces at the onset of inertial effects. The model will be used to test more sophisticated reactivity feedback coefficients and neutronic-hydrodynamic coupling schemes. It will also be used for a more detailed analysis of inertial effects.

  5. 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.

  6. 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.

  7. Population Structure and Antimicrobial Resistance of Invasive Serotype IV Group B Streptococcus, Toronto, Ontario, Canada

    PubMed Central

    Teatero, Sarah; McGeer, Allison; Li, Aimin; Gomes, Janice; Seah, Christine; Demczuk, Walter; Martin, Irene; Wasserscheid, Jessica; Dewar, Ken; Melano, Roberto G.

    2015-01-01

    We recently showed that 37/600 (6.2%) invasive infections with group B Streptococcus (GBS) in Toronto, Ontario, Canada, were caused by serotype IV strains. We report a relatively high level of genetic diversity in 37 invasive strains of this emerging GBS serotype. Multilocus sequence typing identified 6 sequence types (STs) that belonged to 3 clonal complexes. Most isolates were ST-459 (19/37, 51%) and ST-452 (11/37, 30%), but we also identified ST-291, ST-3, ST-196, and a novel ST-682. We detected further diversity by performing whole-genome single-nucleotide polymorphism analysis and found evidence of recombination events contributing to variation in some serotype IV GBS strains. We also evaluated antimicrobial drug resistance and found that ST-459 strains were resistant to clindamycin and erythromycin, whereas strains of other STs were, for the most part, susceptible to these antimicrobial drugs. PMID:25811284

  8. 30-Group Neutron, 12-Group Photon Cross Sections from ENDF/B-IV in MATXS Format.

    Energy Science and Technology Software Center (ESTSC)

    1985-12-30

    Version: 00 The library was prepared with a fusion + fission + l/E + thermal Maxwellian weight function and has proved useful for many high energy calculations, including criticals such as GODIVA. It works reasonably well for many shielding problems where resonance selfshielding is not too important. The energy group structures for MATXSl are listed in Table 1, the materials with neutron scattering data in Table 2, those with photon production data in Table 3,more » and those with photon scattering data in Table 4.« less

  9. 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

  10. Direct band gaps in group IV-VI monolayer materials: Binary counterparts of phosphorene

    NASA Astrophysics Data System (ADS)

    Kamal, C.; Chakrabarti, Aparna; Ezawa, Motohiko

    2016-03-01

    We perform systematic investigation on the geometric, energetic, and electronic properties of group IV-VI binary monolayers (XY ), which are the counterparts of phosphorene, by employing density functional theory based electronic structure calculations. For this purpose, we choose the binary systems X Y consisting of equal numbers of group IV (X = C, Si, Ge, Sn) and group VI elements (Y = O, S, Se, Te) in three geometrical configurations, the puckered, buckled and planar structures. The results of binding energy calculations show that all the binary systems studied are energetically stable. It is observed that, the puckered structure, similar to that of phosphorene, is the energetically most stable geometric configuration. Moreover, the binding energies of buckled configuration are very close to those of the puckered configuration. Our results of electronic band structure predict that puckered SiO and CSe are direct band semiconductors with gaps of 1.449 and 0.905 eV, respectively. Band structure of CSe closely resembles that of phosphorene. Remaining group IV-VI binary monolayers in the puckered configuration and all the buckled monolayers are also semiconductors, but with indirect band gaps. Importantly, we find that the difference between indirect and direct band gaps is very small for many puckered monolayers. Thus there is a possibility of making these systems undergo transition from indirect to direct band gap semiconducting state by a suitable external influence. Indeed, we show in the present work that seven binary monolayers, namely, SnS, SiSe, GeSe, SnSe, SiTe, GeTe, and SnTe become direct band gap semiconductors when they are subjected to a small mechanical strain (≤3 % ). This makes nine out of sixteen binary monolayers studied in the present work direct band gap semiconductors. Thus there is a possibility of utilizing these binary counterparts of phosphorene in future light-emitting diodes and solar cells.

  11. Synthesis of Group IV Nanowires on Graphene: The Case of Ge Nanocrawlers.

    PubMed

    Mataev, Elnatan; Rastogi, Sahil Kumar; Madhusudan, Atul; Bone, Jennifer; Lamprinakos, Nicholas; Picard, Yoosuf; Cohen-Karni, Tzahi

    2016-08-10

    In recent years, there has been a growing interest in using graphene as a synthesis platform for polymers, zero-dimensional (0D) materials, one-dimensional materials (1D), and two-dimensional (2D) materials. Here, we report the investigation of the growth of germanium nanowires (GeNWs) and germanium nanocrawlers (GeNCs) on single-layer graphene surfaces. GeNWs and GeNCs are synthesized on graphene films by gold nanoparticles catalyzed vapor-liquid-solid growth mechanism. The addition of hydrogen chloride gas (HCl) at the nucleation step increased the propensity toward GeNCs growth on the surface. As the time lag before HCl introduction during the nucleation step increased, a significant change in the number of out-of-plane GeNWs versus in-plane GeNCs was observed. The nucleation temperature and time played a key role in the formation of GeNCs as well. The fraction of GeNCs (χNCs) decreased from 0.95 ± 0.01 to 0.66 ± 0.07 when the temperature was kept at 305 °C for 15 s versus maintained at 305 °C throughout the process, respectively. GeNCs exhibit ⟨112⟩ as the preferred growth direction whereas GeNWs exhibit both ⟨112⟩ and ⟨111⟩ as the preferred growth directions. Finally, our growth model suggests a possible mechanism for the preference of an in-plane GeNC growth on graphene versus GeNW on SiO2. These findings open up unique opportunities for fundamental studies of crystal growth on graphene, as well as enable exploration of new electronic interfaces between group IV materials and graphene, potentially toward designing new geometries for hybrid materials sensors. PMID:27400248

  12. 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

  13. 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.

  14. 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.

  15. A Randomized Parallel-Group Dietary Study for Stage II–IV Ovarian Cancer Survivors

    PubMed Central

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

    2011-01-01

    Background 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. Methods In this randomized, parallel-group study, 51 women (mean age, 53 years) diagnosed with stage 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. Results 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 (+5.2 g/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. Conclusion Overall, this study supports the feasibility of designing dietary interventions for stage 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. PMID:22119991

  16. Growth of group IV mycobacteria on medium containing various saturated and unsaturated fatty acids.

    PubMed Central

    Saito, H; Tomioka, H; Yoneyama, T

    1984-01-01

    Seventy-one strains of 15 species of rapidly growing mycobacteria were studied for their susceptibilities to fatty acids with 2 to 20 carbons by the agar dilution method at pH 7.0. Most mycobacteria other than potential pathogens (Mycobacterium fortuitum and Mycobacterium chelonei) were resistant to saturated fatty acids, except for lauric acid (C12:0) (MIC, 6.25 to 25 micrograms/ml) and capric acid (C10:0) (MIC, 50 to 100 micrograms#ml). M. fortuitum and M. chelonei were substantially insusceptible to these fatty acids. Unsaturated fatty acids with 16 to 20 carbons, except for C20:5, were highly toxic to group IV mycobacteria other than M. fortuitum, M. chelonei, Mycobacterium smegmatis, and Mycobacterium phlei, these being highly resistant to all the unsaturated acids, except for C16:1, C18:3, and C20:5. Introduction of double bonds to C16 to C20 fatty acids caused a marked increase in their activities that depended on the increase in the number of double bonds, at least up to three or four. M. fortuitum and M. chelonei were more resistant to the unsaturated fatty acids (particularly to C20:3 and C20:4) than the other group IV mycobacteria. PMID:6486760

  17. 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.

  18. Spectral synthesis in the ultraviolet. IV - A library of mean stellar groups

    NASA Technical Reports Server (NTRS)

    Fanelli, Michael N.; O'Connell, Robert W.; Burstein, David; Wu, Chi-Chao

    1992-01-01

    A library of mean UV stellar energy distributions is derived from IUE spectrophotometry of 218 stars. The spectra cover 1230-3200 A with a spectral resolution of about 6 A. They have been corrected for interstellar extinction and converted to a common flux and wavelength scale. Individual stars were combined into standard groups according to their continuum colors, observed UV spectral morphology, MK luminosity class, and metal abundance. The library consists of 56 groups: 21 dwarf(V), 8 subgiant(IV), 16 giant(III), and supergiant(I + II) groups, covering O3-M4 spectral types. A metal-poor sequence is included, containing four dwarf and two giant groups, as is a metal-enhanced sequence with a single dwarf, subgiant, and giant group. Spectral indices characterizing the continuum and several strong absorption features are examined as temperature, luminosity, and abundance diagnostics. The library is intended to serve as a basis for interpreting the composite UV spectra of a wide variety of stellar systems, e.g., elliptical galaxies, starburst systems, and high-redshift galaxies.

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

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

    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.

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

    PubMed

    Sa, Baisheng; Sun, Zhimei; Wu, Bo

    2016-01-14

    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. PMID:26667941

  1. Group-IV Impurity Defect Levels in beta-Gallium Oxide

    NASA Astrophysics Data System (ADS)

    Badescu, Stefan

    2015-03-01

    Beta-Gallium Oxide (β-Ga2O3) is a wide-bandgap semiconductor with a significant potential as a native substrate for electronic devices. One avenue for tuning its carrier concentration and electronic properties is doping with group-IV impurity atoms. This work presents a first-principles understanding of the effects of C, Si, Ge and Sn dopants at Ga sites. C is found to act like a bistable center whereas the other dopants preserve the symmetry of the Ga site. Hybrid functionals are used to describe accurately the effects that occur mainly in the conduction band. A Brillouin zone unfolding is used that enables a direct comparison to possible spectroscopy experiments. We delineate the effects on bandgap modulation induced by charge density on the one hand, and by conduction band resonances and effective masses on the other hand.

  2. Vacancies and oxidation of two-dimensional group-IV monochalcogenides

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

    Point defects in the binary group-IV monochalcogenide monolayers of SnS, SnSe, GeS, and GeSe are investigated using density functional theory calculations. Several stable configurations are found for oxygen defects, however, we give evidence that these materials are less prone to oxidation than phosphorene, with which monochalcogenides are isoelectronic and share the same orthorhombic structure. Concurrent oxygen defects are expected to be vacancies and substitutional oxygen. We show that it is energetically favorable for oxygen to be incorporated into the layers substituting for a chalcogen (OS /Se defects), and different from most of the other defects investigated, this defect preserves the electronic structure of the material. Thus, we suggest that annealing treatments can be useful for the treatment of functional materials where loss mechanisms due to the presence of defects are undesirable.

  3. 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).

  4. 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…

  5. Y-shape spin-separator for two-dimensional group-IV nanoribbons based on quantum spin hall effect

    SciTech Connect

    Gupta, Gaurav Abdul Jalil, Mansoor Bin; Liang, Gengchiau; Lin, Hsin; Bansil, Arun; Huang, Cheng-Yi; Tsai, Wei-Feng

    2014-01-20

    An efficient spin-separator that operates in quantum spin hall phase has been investigated for two-dimensional group-IV materials. A three-terminal Y-shaped device has been simulated via non-equilibrium Green Function to demonstrate the separation of unpolarized current at source terminal into spin-polarized current of opposite polarity at the two drain terminals. Device controls, i.e., tunable buckling and perpendicular magnetic field have been modeled comprehensively to evaluate the device feasibility and performance. It is shown that these controls can preferentially steer current between the two drains to create a differential charge current with complementary spin polarization, thus enabling a convenient regulation of output signal.

  6. 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.

  7. First-principles studies on substitutional doping by group IV and VI atoms in the two-dimensional arsenene

    NASA Astrophysics Data System (ADS)

    Du, Juan; Xia, Congxin; Wang, Tianxing; Zhao, Xu; Tan, Xiaoming; Wei, Shuyi

    2016-08-01

    The electronic characteristics of group IV and VI atoms-doped arsenene are investigated by means of first-principles methods. The results show that the influences of group IV and VI impurities are obvious on electronic structures in the arsenene. The spin-up and spin-down states induced by C, Si, Ge and O substituting As atoms lie on the both sides of Fermi level in the arsenene, and induce deeper impurity states with total magnetic moment 1 μB. However, Te substituting As atom is the most possible n-type doping due to the shallowest transition level. These results are useful to further investigate experimentally the electronic structures and magnetic properties of group IV and VI atoms-doped arsenene nanosheets.

  8. Ion implantation induced defect formation and amorphization in the Group IV semiconductors: Diamond, silicon and germanium

    NASA Astrophysics Data System (ADS)

    Hickey, Diane P.

    Silicon, which has been the workhorse of the semiconductor industry for the past several decades, is now being enhanced with other Group IV elements, such as carbon (silicon carbide) and germanium (silicon-germanium strained channels in transistors), to accentuate properties of silicon for various nanoelectronic devices. However, there is little understanding of the relationship between ion implantation and defect evolution in two of the three corners of the Group IV phase diagram. In particular, the rod-like {311} defect is theorized to be unique to the diamond crystal structure elements. Due to its ability to affect dopant diffusion, the {311} defect is well studied in silicon. However, few studies of germanium and none of diamond have analyzed extended defect formation and evolution using transmission electron spectroscopy. Using ion implantation to induce amorphization is a technological process step in Si devices and potentially for diamond nano-electronics. Defects associated with crystal regrowth in Ge and diamond are not well known. My research studies the formation conditions of extended defects and amorphization in carbon and germanium after ion implantation. Ion implantation damage in diamond-cubic single-crystal silicon, germanium and diamond was produced by Si+ implantation at 1 MeV to a dose of 1 x 1014 cm-2 and 1 x 10 15 cm-2. Damage in Si and Ge was produced by Si + implantation at 40 keV to a dose of 1 x 1014 cm-2 and 1 x 1015 cm-2, and amorphizing damage in diamond was produced by Si+ implantation at 1 MeV to a dose of 3 and 7 x 1015 cm-2. All implants were carried out at room temperature. For non-amorphizing implants (1014 Si+ cm-2) into Ge, dot-like defects formed immediately upon implantation and were stable up to temperatures of 650°C. The activation energy of these defects was determined to be approximately 0.2 +/- 0.1 eV. For amorphizing implants (1015 Si+ cm-2) into Ge and upon solid-phase epitaxial regrowth, the same types of defects seen

  9. 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.

  10. Growth and characterization of group IV-based alloys on silicon

    NASA Astrophysics Data System (ADS)

    Chandrasekhar, Durvasulu

    Group IV based alloys have recently received much attention because of the possibility of tailoring the band gap with respect to that of silicon. Significant results have already been achieved with the Sisb1-xGesbx/Si system. But a major drawback is the large lattice mismatch and thermal instability. Hence, alternate material systems, such as Si-Ge-C alloys, are under active investigation. The research presented here focuses on the growth and characterization of Sisb1-x-yGesbxCsby and Sisb1-yCsby films. Group IV alloys were grown on silicon substrates by atmospheric-pressure chemical vapor deposition (APCVD), molecular beam epitaxy (MBE), and ultrahigh-vacuum chemical vapor deposition (UHV-CVD) employing novel precursor molecules. The films were characterized extensively using Rutherford backscattering spectrometry, secondary ion mass spectrometry, transmission electron microscopy, and Fourier transform infrared spectroscopy. Sisb1-x-yGesbxCsby films grown by APCVD between 600 to 700sp°C had compositions in the range: 0.2 < x < 0.5 and 0 < y < 0.12. Layers with less than 3 at. % C were of device quality and defect-free. Increase in carbon led to the formation of a bilayer structure, initial crystalline growth followed by amorphous growth: this behavior was attributed to carbon floating on the surface. Periodic interruptions of the Sisb1-x-yGesbxCsby growth by deposition of a thin Si layer prevented amorphous growth. Sisb1-x-yGesbxCsby/Si heterostructures (0.1 < x < 0.4; 0 < y < 0.045) were deposited by MBE at 450 to 550sp°C, using two different sources for carbon: graphite and silicon carbide (SiC). Introduction of carbon using graphite resulted in non-homogeneous incorporation and rough film growth morphology. Use of Sb surfactant led to abrupt interfaces with more homogeneous incorporation of the elements. Using SiC as the carbon source, led to stabilization of the surface morphology without the need for Sb surfactant. Sisb1-yCsby films (0.04 < y < 0.2) were

  11. Synthesis and characterization of group IV semiconductor nanowires by vapor-liquid-solid growth

    NASA Astrophysics Data System (ADS)

    Lew, Kok-Keong

    There is currently intense interest in one-dimensional nanostructures, such as nanotubes and nanowires, due to their potential to test fundamental concepts of dimensionality and to serve as building blocks for nanoscale devices. Vapor-liquid-solid (VLS) growth, which is one of the most common fabrication methods, has been used to produce single crystal semiconductor nanowires such as silicon (Si), germanium (Ge), and gallium arsenide (GaAs). In the VLS growth of Group IV semiconductor nanowires, a metal, such as gold (Au) is used as a catalyst agent to nucleate whisker growth from a Si-containing (silane (SIH4)) or Ge-containing vapor (germane (GeH 4)). Au and Si/Ge form a liquid alloy that has a eutectic temperature of around 360°C, which, upon supersaturation, nucleates the growth of a Si or Ge wire. The goal of this work is to develop a more fundamental understanding of VLS growth kinetics and intentional doping of Group IV semiconductor nanowires in order to better control the properties of the nanowires. The fabrication of p-type and n-type Si nanowires will be studied via the addition of dopant gases such as diborane (B2H 6), trimethylboron (TMB), and phosphine (PH3) during growth. The use of gaseous dopant sources provides more flexibility in growth, particularly for the fabrication of p-n junctions and structures with axial dopant variations (e.g. p+-p- p+). The study is then extended to fabricate SiGe alloy nanowires by mixing SiH4 and GeH4. Bandgap engineering in Si/SiGe heterostructures can lead to novel devices with improved performance compared to those made entirely of Si. The scientific findings will lead to a better understanding of the fabrication of Si/SiGe axial and radial heterostructure nanowires for functional nanowire device structures, such as heterojunction bipolar transistors (HBTs) and high electron mobility transistors (HEMTs). Eventually, the central theme of this research is to provide a scientific knowledge base and foundation for

  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. High pressure study of group-IV clathrate by XRD and Raman scattering

    NASA Astrophysics Data System (ADS)

    Kume, Tetsuji; Sasaki, Shigeo

    2013-06-01

    Group-IV clathrates, which are open-structured Si, Ge, and Sn cage-like compounds, have attracted increasing attention because of their potential applications for thermoelectric devices due to the behavior of phonon-glass and electron-crystal. One of the keys for the intriguing properties is so called rattling vibrations of guests. The direct observation of the rattling is important for understanding of the clathrate properties. Furthermore, the systematic observations of the rattling vibrations as a function of the cage size controlled by pressure are very significant to investigate the guest-host interaction. The pressurization also throws light on the structural stability of the clathrate, which is improved by the guest atoms. The clathrate structure with sp3 network is preserved up to very high pressure. Instead of the structural change, the doped Si clathrates undergo an isostructural phase transition. This paper is concerned with the structural stabilities under high pressure and the rattling vibrations of the guest as a function of the cage size, investigated for various semiconductor clathrates (Sr8Ga16Ge30, Eu8Ga16Ge30 and so on) by means of Raman and XRD experiments. On the basis of the recent data, the guest-host interaction is discussed.

  14. 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.

  15. Graphene challengers: silicene, germanene and stanene, group IV elemental synthetic electronic materials

    NASA Astrophysics Data System (ADS)

    Le Lay, Guy

    Silicene, germanene and stanene, graphene's group IV elemental cousins, have attracted considerable interest since the birth of silicene in 2012. These novel synthetic two-dimensional (2D) Si, Ge and Sn allotropes are artificially created in situ under ultra high vacuum, since, at variance with graphene, which descents from graphite, they have no parent crystal in nature. They are considered as promising candidates for ultimate scaling of nanoelectronic devices. Indeed, the recent fabrication of the first silicene field effect transistors with ambipolar characteristics operating at room temperature demonstrates their potential as emerging 2D electronic materials. In this invited talk, I will present the archetype 3x3 silicene phase formed on a silver (111) substrate, its sister phases and the growth of multilayer silicene, which hosts Dirac fermions and which is stable in ambient air, protected by its ultra-thin native oxide. The recent synthesis of single layer germanene and stanene, near room temperature 2D topological insulators will be also presented, while multilayer germanene will be further addressed. Challenging graphene, silicene, germanene and stanene, which are directly compatible with the current semiconductor industry, could lead to the development of a new class of low energy consumption nanoelectronic devices.

  16. 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.

  17. 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…

  18. 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

    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Response plan development and evaluation criteria for vessels carrying groups I through IV petroleum oil as a primary cargo. 155.1050 Section 155.1050 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) POLLUTION OIL OR HAZARDOUS...

  19. 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

    ... 33 Navigation and Navigable Waters 2 2013-07-01 2013-07-01 false Response plan development and evaluation criteria for vessels carrying groups I through IV petroleum oil as a primary cargo. 155.1050 Section 155.1050 Navigation and Navigable Waters COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) POLLUTION OIL OR HAZARDOUS...

  20. Simulated Group Counseling: An Experiential Training Model for Group Work.

    ERIC Educational Resources Information Center

    Romano, John L.

    1998-01-01

    Describes an experiential group training model designed for prepracticum-level counseling graduate students. Simulated Group Counseling (SCG) offers students an opportunity to experience being group members; facilitating a group; and processing the group with peers, an advanced graduate student observer, and the instructor. SGC reduces…

  1. 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. PMID:26695059

  2. New Group in the Leptospirillum Clade: Cultivation-Independent Community Genomics, Proteomics, and Transcriptomics of the New Species “Leptospirillum Group IV UBA BS”

    PubMed Central

    Dasari, Mauna; Thomas, Brian C.; Shah, Manesh B.; VerBerkmoes, Nathan C.; Hettich, Robert 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. PMID:23645189

  3. 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.

  4. 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 and Later Model Year Vehicles IV Appendix IV to Part 600 Protection of Environment ENVIRONMENTAL... VEHICLES Pt. 600, App. IV Appendix IV to Part 600—Sample Fuel Economy Labels for 2008 and Later Model...

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

    SciTech Connect

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

    2013-11-21

    Transport electron/phonon coupling parameters and Eliashberg spectral functions α{sub tr}{sup 2}F(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 λ{sub tr} vary from 1.11 for ZrN to 0.82 for HfN, 0.73 for TiN, and 0.44 for CeN. The small variation in λ{sub tr} 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 α{sup 2}F(ℏω), corresponding to regions in energy-space for which electrons couple to acoustic ℏω{sub ac} and optical ℏω{sub op} phonon modes, are centered at ℏω{sub ac} = 33 and ℏω{sub op} = 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 α{sub tr}(ℏω) for both modes.

  6. Growth and activation of group IV semiconductors for application in infrared detectors and photovoltaics

    NASA Astrophysics Data System (ADS)

    Xie, Junqi

    Bandgaps in group IV semiconductors such as Ge1-ySn y and Ge1-x-ySixSny are tunable by varying the material composition. The tunable bandgaps make these materials with potential applications in photodetectors, modulators, waveguiders, lasers and photovolatics. This dissertation reports significant improvements of the low-temperature chemical vapor deposition (CVD) process leading to growth of device quality Ge0.98Sn0.02 films with thickness over 500 nm. Highly controlled and efficient doping protocols were also developed to obtain facile substitution and complete activation of dopant atoms at levels 1017 -- 1019 cm-3 via both conventional and custom built molecules. Ge0.98Sn0.02-based PIN structures were subsequently fabricated and characterized. Results show that the incorporation of only 2% of Sn extends the infrared performance of Ge0.98Sn 0.02 based optoelectronic devices to the entire range of transmission windows for telecom applications. Higher Sn content (5% Sn) Ge1-ySny films were also studied to extend the device performance range even further into the infrared. The successful depositions of intrinsic, p- and n-type materials with doping levels 1018-1020/cm3 indicate all components were in place for the fabrication of Ge0.95Sn 0.02-based PIN structures. Meanwhile, a new approach to high quality Ge1-x-ySix Sny ternaries grown directly on both Ge(100) and Si (100) substrates was established based on commercially available sources such as trisilane, digermane and stannane. The soft chemistry process was extended to fabricated p- and n-type layers on Si, and their optical and electrical properties were determined. Characterizations indicate that the properties of GeSiSn are independent of the platform on which they are grown including Si, Ge or GeSn/Si. First-principles calculations show that mixing entropy thermodynamically stabilizes SiGeSn in contrast to GeSn analogs with the same Sn content, in good agreement with experimentally observation. In addition

  7. Structural and energetic properties of acetonitrile-Group IV (A & B) halide complexes.

    PubMed

    Helminiak, Heather M; Knauf, Robin R; Danforth, Samuel J; Phillips, James A

    2014-06-19

    We have conducted an extensive computational study of the structural and energetic properties of select acetonitrile-Group IV (A & B) tetrahalide complexes, both CH3CN-MX4 and (CH3CN)2-MX4 (M = Si, Ge, Ti; X = F, Cl). We have also examined the reactivity of CH3CN with SiF4, SiCl4, GeCl4, and TiCl4, and measured low-temperature IR spectra of thin films containing CH3CN with SiF4, GeCl4, or TiCl4. The six 1:1 complexes fall into two general structural classes. CH3CN-TiCl4, CH3CN-TiF4, and CH3CN-GeF4, exhibit relatively short M-N bonds (~2.3 Å), an intermediate degree of distortion in the MX4 subunit, and binding energies ranging from 11.0 to 13.0 kcal/mol. Conversely, CH3CN-GeCl4, CH3CN-SiF4, and CH3CN-SiCl4, are weakly bonded systems, with long M-N distances (>3.0 Å), little distortion in the MX4 subunit, and binding energies ranging from 3.0 to 4.4 kcal/mol. The structural features of analogous 2:1 systems resemble those of their 1:1 counterparts, whereas the binding energies (relative to three isolated fragments) are roughly twice as large. Calculated M-N potential curves in the gas phase and bulk, dielectric media are reported for all 1:1 complexes, and for two systems, CH3CN-GeF4 and CH3CN-SiF4, these data predict significant condensed-phase structural changes. The effect on the CH3CN-SiF4 potential is extreme; the curve becomes quite flat over a broad range in dielectric media, and at higher ε values, the global minimum shifts inward by about 1.0 Å. In bulk reactivity experiments, no reaction was observed between CH3CN and SiF4, SiCl4, or GeCl4, whereas CH3CN and TiCl4 were found to react immediately upon contact. Also, thin-film IR spectra indicate a strong interaction between CH3CN and TiCl4, yet only weak interactions between CH3CN and GeCl4 or SiF4 in the solid state. PMID:24852185

  8. Lymantria dispar iflavirus 1 (LdIV1), a new model to study iflaviral persistence in lepidopterans.

    PubMed

    Carrillo-Tripp, Jimena; Krueger, Elizabeth N; Harrison, Robert L; Toth, Amy L; Miller, W Allen; Bonning, Bryony C

    2014-10-01

    The cell line IPLB-LD-652Y, derived from the gypsy moth (Lymantria dispar L.), is routinely used to study interactions between viruses and insect hosts. Here we report the full genome sequence and biological characteristics of a small RNA virus, designated Lymantria dispar iflavirus 1 (LdIV1), that was discovered to persistently infect IPLB-LD-652Y. LdIV1 belongs to the genus Iflavirus. LdIV1 formed icosahedral particles of approx. 30 nm in diameter and contained a 10, 044 nt polyadenylated, positive-sense RNA genome encoding a predicted polyprotein of 2980 aa. LdIV1 was induced by a viral suppressor of RNA silencing, suggesting that acute infection is restricted by RNA interference (RNAi). We detected LdIV1 in all tested tissues of gypsy-moth larvae and adults, but the virus was absent from other L. dispar-derived cell lines. We confirmed LdIV1 infectivity in two of these cell lines (IPLB-LD-652 and IPLB-LdFB). Our results provide a novel system to explore persistent infections in lepidopterans and a new model for the study of iflaviruses, a rapidly expanding group of viruses, many of which covertly infect their hosts. PMID:24986084

  9. 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…

  10. 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 and Later Model Year Vehicles IV Appendix IV to Part 600 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Pt. 600, App. IV Appendix IV to Part...

  11. 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 Through 2012 Model Year Vehicles IV Appendix IV to Part 600 Protection of Environment ENVIRONMENTAL... VEHICLES Pt. 600, App. IV Appendix IV to Part 600—Sample Fuel Economy Labels for 2008 Through 2012...

  12. 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

  13. The effects of anion exchange functional-group variations on the sorption of Pu(IV) from nitric acid

    SciTech Connect

    Marsh, S.F.

    1995-12-01

    A macroporous, polyvinylpyridine anion exchange resin has been used for more than five years at the Los Alamos Plutonium Facility to recover plutonium from nitrate media. This strong-base anion exchanger, Reillex{trademark} HPQ, offers higher capacity, faster kinetics, and significantly higher resistance to chemical and radiation damage than conventional polystyrene-based resins. In this study, we measured the sorption of Pu(IV) on Reillex{trademark} HPQ and on three macroporous, strong-base anion exchange resins that differ from Reillex{trademark} HPQ only in the alkyl group used to quaternize the pyridinium. nitrogen. These four resins, prepared by Reilly Industries, Inc., are copolymers of 1-alkyl-4-vinylpyridine, where the alkyl groups are methyl, butyl, hexyl, and octyl. We compare the trends in Pu(IV) sorption on these four resins to those obtained in our previous study of four polystyrene anion exchange resins having trimethyl, triethyl, tripropyl, and tributyl ammonium functionality. The Pu(IV) sorption was measured from 1 M to 9 M nitric acid in both studies.

  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

    ... 45 Public Welfare 2 2011-10-01 2011-10-01 false What are the functional requirements for the Model Tribal IV-D System? 310.10 Section 310.10 Public Welfare Regulations Relating to Public Welfare OFFICE OF... requirements for the Model Tribal IV-D System? A Model Tribal IV-D System must: (a) Accept, maintain...

  15. 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.

  16. 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

  17. First-principles study of monolayer and bilayer honeycomb structures of group-IV elements and their binary compounds

    NASA Astrophysics Data System (ADS)

    Pan, L.; Liu, H. J.; Wen, Y. W.; Tan, X. J.; Lv, H. Y.; Shi, J.; Tang, X. F.

    2011-01-01

    By using first-principles pseudopotential method, we investigate the structural, vibrational, and electronic properties of monolayer and bilayer honeycomb structures of group-IV elements and their binary compounds. It is found that the honeycomb structures of Si, Ge, and SiGe are buckled for stabilization, while those of binary compounds SiC and GeC containing the first row elements C are planar similar to a graphene sheet. The phonon dispersion relations and electronic band structures are very sensitive to the number of layers, the stacking order, and whether the layers are planar or buckled.

  18. Ignition and Growth Modeling of Short Pulse Duration Shock Initiation Experiments on HNS IV

    NASA Astrophysics Data System (ADS)

    Tarver, Craig; Chidester, Steven

    2013-06-01

    Short pulse duration shock initiation experiments on 1.60 g/cm3 density (92% TMD) HNS IV have been reported by Schwarz, Bowden et al., Dudley et al., Goveas et al., Greenaway et al., and others. This flyer threshold velocity for detonation/failure data plus measured unreacted HNS Hugoniot data and detonation cylinder test product expansion data were used as the experimental basis for the development of an Ignition and Growth reactive flow model for the shock initiation of HNS IV. The resulting Ignition and Growth HNS IV model parameters yielded good overall agreement with all of this experimental data. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.: Explosive, HNS IV, shock to detonation transition, Ignition and Growth: 82.33.Vx, 82.40.Fp.

  19. 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.

  20. 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.

  1. 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.

  2. Effect of phase transition on quantum transport in group-IV two-dimensional U-shape device

    SciTech Connect

    Sadi, Mohammad Abdullah; Gupta, Gaurav Liang, Gengchiau

    2014-10-21

    The effect of phase-transition from the quantum-spin-hall to the band-insulator phase on the transport through a three-terminal U-shape spin-separator has been computationally investigated via non-equilibrium green function formalism. Two-dimensional group-IV elements have been comprehensively appraised as the device material. The device separates the unpolarized current injected at the source-terminal into nearly 100% spin-polarized currents of the opposite polarities at the two drain terminals. The phase-transition activated by the electric-field orthogonal to the device is shown to extensively influence the current magnitude and its spin-polarization, and the effect is stronger for materials with smaller intrinsic spin-orbit coupling. Moreover, the device length and the area under field are shown to critically affect the device characteristics on phase change. It is shown that the same device can be operated as a spin-filter by inducing phase-transition selectively in the channel. The results are important for designing spin-devices from Group-IV monolayers.

  3. D category IV: a group of clinically relevant and phylogenetically diverse partial D

    PubMed Central

    von Zabern, Inge; Wagner, Franz F.; Moulds, Joann M.; Moulds, John J.; Flegel, Willy A.

    2013-01-01

    Background The D typing strategies in several European countries protect carriers of D category VI (DVI) from anti-D immunization but not carriers of other partial D. Besides DVI, one of the clinically most important partial D is D category IV (DIV). A detailed description and direct comparison of the different DIV types was missing. Study design and methods RHD nucleotide sequences were determined from genomic DNA. D epitope patterns were established with commercial monoclonal anti-D panels. Results DIV comprises several variants of the D antigen with distinct serology, molecular structures, evolutionary origins and ethnic prevalences. The DIV phenotype is determined by 350H shared by all, but not limited to, DIV variants which are further divided into DIVa and DIVb. The DIVa phenotype is expressed by DIV type 1.0 harboring 350H and the dispersed amino acids 62F, 137V and 152T. The DIVb phenotype is expressed by DIV type 3 to type 5 representing RHD-CE-D hybrids. 4 of the 6 postulated DIV variants were encountered among 23 DIV samples analyzed. Of 12 DIV carriers with anti-D, 10 were female and 7 likely immunized by pregnancy. 2 DIV related alleles are newly described: DWN which differs from DIV type 4 by 350D and epitope pattern. DNT carries 152T, known to cause a large D antigen density. Conclusion DIV alleles arose from at least 2 independent evolutionary events. DIV type 1.0 with DIVa phenotype belongs to the oldest extant human RHD alleles. DIV type 2 to type 5 with DIVb phenotype arose from more recent gene conversions. Anti-D immunization, especially dreaded in pregnancies, will be avoided not only in carriers of DVI but also in carriers of other D variants like DIV, if our proposed D typing strategy is adopted. PMID:23461862

  4. Analysis of spiroplasma proteins: contribution to the taxonomy of group IV spiroplasmas and the characterization of spiroplasma protein antigens.

    PubMed Central

    Mouches, C.; Candresse, T.; McGarrity, G. J.; Bové, J. M.

    1983-01-01

    Spiroplasma strains of group IV were compared by two-dimensional protein analyses on polyacrylamide gels. Although considerable diversity was evident, the assemblages studied were less heterogeneous than the known strains of group I. Two electrophoretic techniques were used to identify spiroplasma proteins that had been used to immunize rabbits. These included monoclonal antibodies prepared against Spiroplasma citri. In the first technique, protein antigens were purified by immunoaffinity chromatography, then identified with SDS-PAGE. In the second technique, spiroplasma proteins were first separated by SDS-PAGE, then antigens were identified by antibody binding to blot-transferred proteins. Finally, two-dimensional protein electrophoresis has been used as a source of immunogens to characterize monospecific antibodies against individual S. citri proteins. Images FIG. 1 FIG. 2 PMID:6206657

  5. Bradykinin-induced modulation of the response behaviour of different types of feline group III and IV muscle receptors.

    PubMed Central

    Mense, S; Meyer, H

    1988-01-01

    1. In order to test the hypothesis that bradykinin has a sensitizing action on muscle receptors (e.g. during a myositis), the response properties of single group III and IV afferent units from the cat gastrocnemius-soleus muscle were compared before and after infiltration of their receptive fields with a bradykinin solution. According to their responses to graded natural stimuli (local pressure, stretch, contractions and temperature changes) the units were classified as (a) nociceptors, (b) low-threshold pressure-sensitive (LTP) receptors, (c) contraction-sensitive (CS) receptors and (d) thermosensitive receptors. 2. Bradykinin activated the majority of both the nociceptive and low-threshold (LTP, CS and thermosensitive) receptors but a sensitization was prominent only among the nociceptors. Most of the sensitized nociceptors showed increased responses to mechanical, but not to thermal, stimuli. The sensitization appeared to be quite specific in that the nociceptors were sensitized either towards local pressure stimulation or to active contractions, but never towards both forms of stimulation. 3. Both group III and group IV nociceptors were sensitized by bradykinin, the proportion of sensitized receptors being greater for group III units. 4. Some of the low-threshold receptors (particularly the CS units) showed a desensitization under the influence of bradykinin. 5. Although bradykinin (by lowering the mechanical thresholds of nociceptors into the innocuous range) could produce the symptom of allodynia, it was not capable of eliciting all the changes in receptor behaviour which are known to occur in inflamed tissues. For instance, no ongoing activity of longer duration and no substantial sensitization of low-threshold receptors have been observed in the present study. PMID:3392680

  6. 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.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  8. Use of Improved Orbitals for CCSD(T) Calculations for Predicting Heats of Formation of Group IV and Group VI Metal Oxide Monomers and Dimers and UCl6.

    PubMed

    Fang, Zongtang; Lee, Zachary; Peterson, Kirk A; Dixon, David A

    2016-08-01

    The prediction of the heats of formation of group IV and group VI metal oxide monomers and dimers with the coupled cluster CCSD(T) method has been improved by using Kohn-Sham density functional theory (DFT) and Brueckner orbitals for the initial wave function. The valence and core-valence contributions to the total atomization energies for the CrO3 monomer and dimer are predicted to be significantly larger than when using the Hartree-Fock (HF) orbitals. The predicted heat of formation of CrO3 with CCSD(T)/PW91 is consistent with previous calculations including high-order corrections beyond CCSD(T) and agrees well with the experiment. The improved heats of formation with the DFT and Brueckner orbitals are due to these orbitals being closer to the actual orbitals. Pure DFT functionals perform slightly better than the hybrid B3LYP functional due to the presence of exact exchange in the hybrid functional. Comparable heats of formation for TiO2 and the second- and the third-row group IV and group VI metal oxides are predicted well using either the DFT PW91 orbitals, Brueckner orbitals, or HF orbitals. The normalized clustering energies for the dimers are consistent with our previous work except for a larger value predicted for Cr2O6. The prediction of the reaction energy for UF6 + 3Cl2 → UCl6 + 3F2 was significantly improved with the use of DFT or Brueckner orbitals as compared to HF orbitals. PMID:27398941

  9. 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…

  10. Inter-Division IV-V / Working Group Ap and Related Stars

    NASA Astrophysics Data System (ADS)

    Cunha, Margarida S.; Weiss, Werner W.; Dworetsky, Michael M.; Kochukhov, Oleg; Kupka, Friedrich; Leblanc, Francis; Monier, Richard; Paunzen, Ernst; Piskunov, Nikolai E.; Shibahashi, Hiromoto; Smalley, Barry; Ziznovsky, Jozef

    The diversity of physical phenomena embraced by the study of Chemically Peculiar (CP) stars results in an associated research community with interests that are equally diverse. This fact became once more evident during the CP#Ap Workshop that took place in Vienna (Austria) in September 2007, and which gathered over 80 members of this research community. Besides the excellent scientific outcome of the meeting, during the workshop the community had the opportunity to discuss its organization and plans for the future. Following on those plans, the Working Group has submitted a proposal for a Joint Discussion during the IAU XXVII General Assembly, in Rio de Janeiro, which has meanwhile been accepted. Moreover, through an ApN newsletter forum, the Working Group has compiled requests from the community concerning atomic and related data. These requests have been put together and will be shared with Commission 14.

  11. 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

  12. 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.

  13. 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.

  14. Effect of Astragaloside IV on Neural Stem Cell Transplantation in Alzheimer's Disease Rat Models

    PubMed Central

    Haiyan, Hu; Rensong, Yang; Guoqin, Jin; Xueli, Zhang; Huaying, Xia; Yanwu, Xu

    2016-01-01

    Stem cell-based therapy is a promising treatment strategy for neurodegenerative diseases such as Alzheimer's disease (AD). However, the mechanism underlying the maintenance of renewal and replacement capabilities of endogenous progenitor cells or engrafted stem cells in a pathological environment remains elusive. To investigate the effect of astragaloside IV (ASI) on the proliferation and differentiation of the engrafted neural stem cells (NSCs), we cultured NSCs from the hippocampus of E14 rat embryos, treated the cells with ASI, and then transplanted the cells into the hippocampus of rat AD models. In vitro experimentation showed that 10−5 M ASI induced NSCs to differentiate into β-tubulin III+ and GFAP+ cells. NSCs transplantation into rat AD models resulted in improvements in learning and memory, especially in the ASI-treated groups. ASI treatment resulted in an increase in the number of β-tubulin III+ cells in the hippocampus. Further investigation showed that ASI inhibited PS1 expression in vitro and in vivo. The high-dose ASI downregulated the Notch intracellular domain, whereas the low-dose ASI increased Notch-1 and NICD. In conclusion, ASI treatment resulted in improvements in learning and memory of AD models by promoting NSC proliferation and differentiation partly through the Notch signal pathway. PMID:27034688

  15. 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.

  16. Models of cuspy triaxial stellar systems - IV. Rotating systems

    NASA Astrophysics Data System (ADS)

    Carpintero, D. D.; Muzzio, J. C.

    2016-06-01

    We built two self-consistent models of triaxial, cuspy, rotating stellar systems adding rotation to non-rotating models presented in previous papers of this series. The final angular velocity of the material is not constant and varies with the distance to the centre and with the height over the equator of the systems, but the figure rotation is very uniform in both cases. Even though the addition of rotation to the models modifies their original semi-axes ratios, the final rotating models are considerably flattened and triaxial. An analysis of the orbital content of the models shows that about two-thirds of their orbits are chaotic yet the models are very stable over intervals of the order of one Hubble time. The bulk of regular orbits are short-axis tubes, while long-axis tubes are replaced by tubes whose axes lie on the short-long axes plane, but do not coincide with the major axis. Other types of regular orbits that do not appear in non-rotating systems, like horseshoes and orbits that cross themselves, are also found in the present models. Finally, our frequency maps show empty regions where studies of orbits on fixed potentials found orbits, a likely consequence of the self-consistency of our models that excludes them.

  17. Magnetic properties of the semifluorinated and semihydrogenated 2D sheets of group-IV and III-V binary compounds

    NASA Astrophysics Data System (ADS)

    Ma, Yandong; Dai, Ying; Guo, Meng; Niu, Chengwang; Yu, Lin; Huang, Baibiao

    2011-06-01

    By performing first-principles calculations, the intriguing electronic and magnetic properties of the semidecorated sheets of group-IV and III-V binary compounds are investigated. Our results indicate that the semifluorinated and semihydrogenated ab ( ab = SiC, GeC, SnC, BN, AlN, and GaN) sheets exhibit diverse electronic and magnetic properties. Accordingly, the electronic and magnetic properties of the semidecorated sheets can be precisely modulated by controlling the adsorbed atoms on the a sites. Further, the preference of ferromagnetic or antiferromagnetic coupling can be attributed to the combined effects of both through-bond spin polarization and p- p direct interaction for the semidecorated ab sheets.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    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.

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

    NASA Astrophysics Data System (ADS)

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

    1989-09-01

    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.

  1. 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.

  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. "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.

  4. Homogeneous Ziegler-Natta polymerization of functionalized monomers catalyzed by cationic group IV metallocenes

    SciTech Connect

    Kesti, M.R.; Coates, G.W.; Waymouth, R.M.

    1992-11-18

    Ziegler-Natta catalysts are remarkable in their ability to polymerize {alpha}-olefins to high molecular weight, stereoregular polyolefins. One of the major limitations of conventional Ziegler-Natta catalysts is their intolerance to Lewis bases; catalysts based on titanium halides and alkylaluminum cocatalysts are poisoned by most types of monomers containing ethers, esters, amines, and carboxylic acids. The absence of functionality in hydrocarbon polymers seriously affects their adhesive properties, affinity for dyes, permeability, and compatibility with more polar polymers. Previous attempts to polymerize sterically hindered amines, esters and amides, alkyl halides, and carboxylic acids using catalysts derived from TiCl{sub 3} and AlR{sub 3-n}Cl{sub n} have achieved limited success due to the severe loss of catalytic activity in the presence of these monomers. This work reports that cationic, group four metallocenes are active catalysts for the homo-polymerization of {alpha}-olefins containing silyl-protected alcohols and tertiary amines. Employing different monomers and conditions, a table shows the starting monomer, reaction time and temperature, and spectroscopic analysis of the end products. A major advanatage of these metallocene-based catalysts is that the ligand system can be modified to proved the optimal combination of catalystic activity, stereospecificity, and tolerance to functionality. 32 refs., 1 tab.

  5. 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)…

  6. Joint Individual-Group Modeling for Tracking.

    PubMed

    Bazzani, Loris; Zanotto, Matteo; Cristani, Marco; Murino, Vittorio

    2015-04-01

    We present a novel probabilistic framework that jointly models individuals and groups for tracking. Managing groups is challenging, primarily because of their nonlinear dynamics and complex layout which lead to repeated splitting and merging events. The proposed approach assumes a tight relation of mutual support between the modeling of individuals and groups, promoting the idea that groups are better modeled if individuals are considered and vice versa. This concept is translated in a mathematical model using a decentralized particle filtering framework which deals with a joint individual-group state space. The model factorizes the joint space into two dependent subspaces, where individuals and groups share the knowledge of the joint individual-group distribution. The assignment of people to the different groups (and thus group initialization, split and merge) is implemented by two alternative strategies: using classifiers trained beforehand on statistics of group configurations, and through online learning of a Dirichlet process mixture model, assuming that no training data is available before tracking. These strategies lead to two different methods that can be used on top of any person detector (simulated using the ground truth in our experiments). We provide convincing results on two recent challenging tracking benchmarks. PMID:26353291

  7. 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. PMID:25926978

  8. 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

  9. Abundance and Clustering of C IV Absorption Systems in the SCDM, LCDM, and CHDM Models

    NASA Astrophysics Data System (ADS)

    Bi, Hongguang; Fang, Li-Zhi

    1996-08-01

    We have developed a method for calculating the two-point correlation function of nonlinearly evolved mass and collapsed halos in the Press- Schechter formalism. The nonlinear gravitational interaction is treated as the sum of various individual spherical top-hat clustering. Because no collapsed halo of mass M can exist in initial regions (or top-hat spheres) of mass less than M, the bias that massive halos have stronger correlation than the background mass can be naturally introduced. We apply this method to derive constraints on popular dark-matter models from the spatial number density and the correlation function of C IV absorption systems in QSO spectra. Considering C IV systems should be hosted by collapsed halos, one can obtain an upper limit to the threshold mass of the collapsed halos by requiring their number density to be larger than that of observed C IV systems. On the other hand, in order to explain the observed clustering of C IV systems, a lower limit to the threshold mass will be set for the hosting halos. We found that the standard cold dark matter (SCDM) model and the low-density flat universe with a cosmological constant {LAMBDA}_0_ (LCDM) are consistent with the abundance and clustering of C IV systems. However, the two cold- plus-hot dark matter models (CHDMs) with the cosmological parameters ({OMEGA}_c_+ {OMEGA}_b_)/{OMEGA}_h_ = 0.7/0.3 and 0.8/0.2, respectively, have difficulty passing the two tests simultaneously. In these models, in order to have enough collapsed halos to host C IV systems, the threshold mass of the halos cannot be greater than 10^11^ M_sun_. But in order to agree with the two-point correlation function on the scales of {DELTA}_v_ ~ 300-1000 km s^-1^, the threshold mass should be larger than 10^12^ M_sun_.

  10. A Model of Small Group Facilitator Competencies

    ERIC Educational Resources Information Center

    Kolb, Judith A.; Jin, Sungmi; Song, Ji Hoon

    2008-01-01

    This study used small group theory, quantitative and qualitative data collected from experienced practicing facilitators at three points of time, and a building block process of collection, analysis, further collection, and consolidation to develop a model of small group facilitator competencies. The proposed model has five components:…

  11. Group Recommender Systems: Combining Individual Models

    NASA Astrophysics Data System (ADS)

    Masthoff, Judith

    This chapter shows how a system can recommend to a group of users by aggregating information from individual user models and modelling the users affective state. It summarizes results from previous research in this area. It also shows how group recommendation techniques can be applied when recommending to individuals, in particular for solving the cold-start problem and dealing with multiple criteria.

  12. Comparing Personality Disorder Models: Cross-Method Assessment of the FFM and DSM-IV-TR

    PubMed Central

    Samuel, Douglas B.; Widiger, Thomas A.

    2010-01-01

    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. PMID:21158596

  13. A Global Magnetic Topology Model for Magnetic Clouds. IV.

    NASA Astrophysics Data System (ADS)

    Hidalgo, M. A.

    2016-05-01

    In the first paper of this series, we introduced a global topology model for the study of magnetic clouds (MCs), fitting it to the experimental magnetic field components and obtaining, for example, the orientation of the axis of the MCs in the interplanetary medium. In the third paper, we extended the model to include theoretical hydrostatic plasma pressure, also incorporating it in the fitting procedure. The present work is complementary to the previous ones, now incorporating the proton current density as deduced from the continuity equation. In particular, we are interested in the component of the proton current density parallel to the magnetic field lines of the MC, {\\boldsymbol{j}} \\parallel , because the perpendicular component is expected to have information similar to the plasma pressure. Under all of these conditions, our fitting procedure now involves simultaneous analysis of the three components of the magnetic field, the trace of the plasma pressure, and the parallel proton current density. This provides us with more information about the physical mechanisms taking place inside MCs, thus helping us to understand the propagation and evolution of these structures in the interplanetary medium.

  14. 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.

  15. 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…

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

    PubMed

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

    2016-06-01

    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. PMID:27189263

  17. 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.

  18. 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…

  19. 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

  20. 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.

  1. 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

  2. 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. PMID:26386229

  3. The symmetry group of the CAFFE model

    NASA Astrophysics Data System (ADS)

    Faria, Sérgio H.

    A new ice-sheet flow model called CAFFE (Continuum-mechanical Anisotropic Flow model based on an anisotropic Flow Enhancement factor) has recently become a source of considerable controversy within the glaciological community. Its main proponents (Placidi, Greve and Seddik) defend the thesis that this model can describe the effect of induced anisotropy on ice-sheet flow, while others assert that the CAFFE model is merely an isotropic model. Here I resolve this dispute by rigorously deriving the symmetry group of the CAFFE model.

  4. Generation of a novel mouse model that recapitulates early and adult onset glycogenosis type IV.

    PubMed

    Akman, H Orhan; Sheiko, Tatiana; Tay, Stacey K H; Finegold, Milton J; Dimauro, Salvatore; Craigen, William J

    2011-11-15

    Glycogen storage disease type IV (GSD IV) is a rare autosomal recessive disorder caused by deficiency of the glycogen branching enzyme (GBE). The diagnostic feature of the disease is the accumulation of a poorly branched form of glycogen known as polyglucosan (PG). The disease is clinically heterogeneous, with variable tissue involvement and age of disease onset. Absence of enzyme activity is lethal in utero or in infancy affecting primarily muscle and liver. However, residual enzyme activity (5-20%) leads to juvenile or adult onset of a disorder that primarily affects muscle as well as central and peripheral nervous system. Here, we describe two mouse models of GSD IV that reflect this spectrum of disease. Homologous recombination was used to insert flippase recognition target recombination sites around exon 7 of the Gbe1 gene and a phosphoglycerate kinase-Neomycin cassette within intron 7, leading to a reduced synthesis of GBE. Mice bearing this mutation (Gbe1(neo/neo)) exhibit a phenotype similar to juvenile onset GSD IV, with wide spread accumulation of PG. Meanwhile, FLPe-mediated homozygous deletion of exon 7 completely eliminated GBE activity (Gbe1(-/-)), leading to a phenotype of lethal early onset GSD IV, with significant in utero accumulation of PG. Adult mice with residual GBE exhibit progressive neuromuscular dysfunction and die prematurely. Differently from muscle, PG in liver is a degradable source of glucose and readily depleted by fasting, emphasizing that there are structural and regulatory differences in glycogen metabolism among tissues. Both mouse models recapitulate typical histological and physiological features of two human variants of branching enzyme deficiency. PMID:21856731

  5. Group Development and Situational Leadership: A Model for Managing Groups.

    ERIC Educational Resources Information Center

    Carew, Donald K.; And Others

    1986-01-01

    An integration of the concepts of situational leadership with what is known about group development and functioning of work groups is discussed as a tool in helping managers, trainers, and group members understand group development and determine the appropriate leader behaviors to use in various situations to build unified, cohesive, and…

  6. Mixed-ligand complexes of some transition metals in groups IV-VI of the periodic table with trihydroxyfluorones and diantipyrylmethane

    SciTech Connect

    Ganago, L.I.

    1986-03-20

    The purpose of this work was to examine the changes in the principal physicochemical characteristics of mixed-ligand complex compounds of the transition metals in groups IV-VI with one of the sensitive trihydroxyfluorones, viz., o-nitrophenylfluorone, and a base of the pyrazolone series, viz., diantipyrylmethane, and to reveal the possibilities of their analytical application.

  7. 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…

  8. 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…

  9. 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.

  10. Introduction of LL-IV Distributed Hydrological Model and Applications in DMIP-II

    NASA Astrophysics Data System (ADS)

    Li, L.; Zhang, H.; Yang, M.; Nicholson, A.

    2011-12-01

    Watershed hydrological models are an important tool for understanding hydrological processes on the earth, and they have been developed from empirical models to stochastic models, to lumped conceptual models, and finally to distributed conceptual models. Among them, the distributed hydrological model with physical bases is a great milestone in the development of hydrological models. The Hydrology Laboratory of the US National Weather Service paid high attention to the applications of distributed hydrological models. This department has proposed the Distributed Model Intercomparison Projects (DMIP-I and DMIP-II) since 2001, which made a major contribution to the development of distributed hydrological models. This paper introduces the development of the LL (Lan Li) distributed hydrological model, which produced satisfactory results in both DMIP-I and DIMP-II. LL-IV is the latest version of the LL distributed hydrological model and its basic equations and structures are detailed in this paper. LL-IV, for the first time, derives convection-diffusion equations for the interflow (in both saturated and unsaturated conditions) and underground flow. In addition, this model describes soil humidity, evaporation from soil, infiltration, overland flow, stream flow etc. by convection-diffusion equations. The advantages of using convection-diffusion equations in LL-IV to represent water cycle process for either the vertical change in a single grid or water interchange between grids are as follows: (1) Convection-diffusion equations require fewer variables compared with St. Venant equations. Whole and continuous data of the velocity and water stage, for example, are not usually available for most watersheds, which limits the application of distributed hydrological model. For LL-IV, however, these data are not always necessary when simulating. (2) LL-IV improves computational efficiency and requires less memory space by using convection-diffusion equations which focus mainly on

  11. 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

  12. 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...

  13. 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

  14. 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.

  15. Activation of group IV cytosolic phospholipase A2 in human eosinophils by phosphoinositide 3-kinase through a mitogen-activated protein kinase-independent pathway.

    PubMed

    Myou, Shigeharu; Leff, Alan R; Myo, Saori; Boetticher, Evan; Meliton, Angelo Y; Lambertino, Anissa T; Liu, Jie; Xu, Chang; Munoz, Nilda M; Zhu, Xiangdong

    2003-10-15

    Activation of group IV cytosolic phospholipase A(2) (gIV-PLA(2)) is the essential first step in the synthesis of inflammatory eicosanoids and in integrin-mediated adhesion of leukocytes. Prior investigations have demonstrated that phosphorylation of gIV-PLA(2) results from activation of at least two isoforms of mitogen-activated protein kinase (MAPK). We investigated the potential role of phosphoinositide 3-kinase (PI3K) in the activation of gIV-PLA(2) and the hydrolysis of membrane phosphatidylcholine in fMLP-stimulated human blood eosinophils. Transduction into eosinophils of Deltap85, a dominant negative form of class IA PI3K adaptor subunit, fused to an HIV-TAT protein transduction domain (TAT-Deltap85) concentration dependently inhibited fMLP-stimulated phosphorylation of protein kinase B, a downstream target of PI3K. FMLP caused increased arachidonic acid (AA) release and secretion of leukotriene C(4) (LTC(4)). TAT-Deltap85 and LY294002, a PI3K inhibitor, blocked the phosphorylation of gIV-PLA(2) at Ser(505) caused by fMLP, thus inhibiting gIV-PLA(2) hydrolysis and production of AA and LTC(4) in eosinophils. FMLP also caused extracellular signal-related kinases 1 and 2 and p38 MAPK phosphorylation in eosinophils; however, neither phosphorylation of extracellular signal-related kinases 1 and 2 nor p38 was inhibited by TAT-Deltap85 or LY294002. Inhibition of 1) p70 S6 kinase by rapamycin, 2) protein kinase B by Akt inhibitor, or 3) protein kinase C by Ro-31-8220, the potential downstream targets of PI3K for activation of gIV-PLA(2), had no effect on AA release or LTC(4) secretion caused by fMLP. We find that PI3K is required for gIV-PLA(2) activation and hydrolytic production of AA in activated eosinophils. Our data suggest that this essential PI3K independently activates gIV-PLA(2) through a pathway that does not involve MAPK. PMID:14530366

  16. 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. PMID:24071827

  17. Retinal Dystrophy and Optic Nerve Pathology in the Mouse Model of Mucolipidosis IV.

    PubMed

    Grishchuk, Yulia; Stember, Katherine G; Matsunaga, Aya; Olivares, Ana M; Cruz, Nelly M; King, Victoria E; Humphrey, Daniel M; Wang, Shirley L; Muzikansky, Alona; Betensky, Rebecca A; Thoreson, Wallace B; Haider, Neena; Slaugenhaupt, Susan A

    2016-01-01

    Mucolipidosis IV is a debilitating developmental lysosomal storage disorder characterized by severe neuromotor retardation and progressive loss of vision, leading to blindness by the second decade of life. Mucolipidosis IV is caused by loss-of-function mutations in the MCOLN1 gene, which encodes the transient receptor potential channel protein mucolipin-1. Ophthalmic pathology in patients includes corneal haze and progressive retinal and optic nerve atrophy. Herein, we report ocular pathology in Mcoln1(-/-) mouse, a good phenotypic model of the disease. Early, but non-progressive, thinning of the photoreceptor layer, reduced levels of rhodopsin, disrupted rod outer segments, and widespread accumulation of the typical storage inclusion bodies were the major histological findings in the Mcoln1(-/-) retina. Electroretinograms showed significantly decreased functional response (scotopic a- and b-wave amplitudes) in the Mcoln1(-/-) mice. At the ultrastructural level, we observed formation of axonal spheroids and decreased density of axons in the optic nerve of the aged (6-month-old) Mcoln1(-/-) mice, which indicates progressive axonal degeneration. Our data suggest that mucolipin-1 plays a role in postnatal development of photoreceptors and provides a set of outcome measures that can be used for ocular therapy development for mucolipidosis IV. PMID:26608452

  18. Costs and Their Assessment to Users of a Medical Library, Part IV: Differences in the Use of a Health Science Library by Various User Groups.

    ERIC Educational Resources Information Center

    Bres, E.; And Others

    Part IV is a summary analysis of sample and survey data collected to facilitate the structure of the cost assessment models and to find out which, if any, subgroups of HAM-TMC user population make more (or less) use of various library services. Sampling data were obtained from brief interviews and in-house files of various user institutions to…

  19. Quantum group extended chiral p-models

    NASA Astrophysics Data System (ADS)

    Hadjiivanov, L. K.; Paunov, R. R.; Todorov, I. T.

    1991-06-01

    The quantum symmetry group U q of an extended chiral conformal model is determined by the requirement that symmetry transformations commute with braid group statistics operators and by the relation between fusion rules and tensor product expansions of a certain class of U 4 representations. For thermal minimal " p-models", involving no more than p - 1 unitary lowest weight representations of the Virasoro algebra Vir, U 4 is the quantum universal enveloping (QUE) algebra U 4(sl(2)) with deformation parameter q satisfying q + q-1 = 2 cos π/ p ( qp = - 1, p = 4, 5,…). To each 2-dimensional local field labelled by a pair of nonnegative integers v, v¯ (0 ⩽ v, v¯ ⩽ p - 2) we make correspond an analytic chiral field φv, of weight Δ vand q- spin I v¯. The correlation functions of φv, transform under an 1-dimensional unitary representation of the braid group. As a result we reproduce the ADE classification of 2-dimensional p models in terms of their extended chiral counterparts. It turns out that U q-extended chiral p-models always involve non-unitary and indecomposable representations of Vir.

  20. 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.

  1. 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.

  2. A Comprehensive Health Group Practice Model.

    PubMed

    Pihlstrom, Daniel; White, Danny

    2015-01-01

    Permanente Dental Associates includes 17 offices in the Pacific Northwest. Among the distinguishing characteristics of this model are a predominantly HMO structure and integration of care in a general medical program. Staff dentists are on salary and are largely relieved of the business details of practice. Ultimate control of the system is vested in a group of shareholders--the dentists who practice chairside. One of the shareholder-practitioners discusses his perspective on this system. PMID:26562978

  3. Quantum groups, braiding matrices and coset models

    SciTech Connect

    Itoyama, H.

    1989-07-01

    We discuss a few results on quantum groups in the context of rational conformal field theory with underlying affine Lie algebras. A vertex-height correspondence - a well-known procedure in solvable lattice models - is introduced in the WZW theory. This leads to a new definition of chiral vertex operator in which the zero mode is given by the q-Clebsch Gordan coefficients. Braiding matrices of coset models are found to factorize into those of the WZW theories. We briefly discuss the construction of the generators of the universal enveloping algebra in Toda field theories. 21 refs., 2 figs.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  5. 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…

  6. Chemical evolution models of Local Group galaxies

    NASA Astrophysics Data System (ADS)

    Tosi, Monica

    Status quo and perspectives of standard chemical evolution models of Local Group galaxies are summarized, and what we have learned from them is discussed, as well as what we have not learned yet, and what I think will be learned in the near future. Galactic chemical evolution models have shown that: I) stringent constraints on primordial nucleosynthesis can be derived from the observed Galactic abundances of the light elements; II) the Milky Way has been accreting external gas from early epochs to the present time; and III) the vast majority of Galactic halo stars have formed quite rapidly at early epochs. Chemical evolution models for the closest dwarf galaxies, although still uncertain, are expected to become extremely reliable in the immediate future, thanks to the quality of new generation photometric and spectroscopic data which are currently being acquired.

  7. 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.

  8. 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)

  9. 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 PMID:26322798

  10. Can Clinicians Recognize DSM-IV Personality Disorders From Five-Factor Model Descriptions of Patient Cases?

    PubMed Central

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

    2010-01-01

    Objective This article examined, using theories from cognitive science, the clinical utility of the Five-Factor Model (FFM) of Personality, an assessment and classification system under consideration for integration into the forthcoming fifth edition of the Diagnostic and Statistical Manual (DSM) of Mental Disorders. Specifically, the authors sought to test whether FFM descriptors are specific enough to allow practicing clinicians to capture core features of personality disorders. Method In two studies, a large nationwide sample of clinical psychologists, psychiatrists, and clinical social workers (N= 187 and N=191) were presented case profiles based on symptom formats from either the DSM-IV and/or FFM. Ratings for six aspects of clinical utility for DSM-IV and FFM profiles were obtained and participants provided DSM-IV diagnoses. Prototypic cases (only one personality disorder) and comorbid cases were tested in separate studies. Results Participants rated the DSM-IV as more clinically useful than the FFM on five out of six clinical utility questions. Despite demonstrating considerable background knowledge of DSM-IV diagnoses, participants had difficulty identifying correct diagnoses from FFM profiles. Conclusion The FFM descriptors may be more ambiguous than the criteria of the DSM-IV and the FFM may therefore be less able to convey important clinical details than the DSM-IV. The findings flag challenges to clinical utility for dimensional-trait systems such as the FFM. PMID:19289453

  11. Using clinician-rated five-factor model data to score the DSM-IV personality disorders.

    PubMed

    Miller, Joshua D; Maples, Jessica; Few, Lauren R; Morse, Jennifer Q; Yaggi, Kirsten E; Pilkonis, Paul A

    2010-07-01

    Proposals suggest that many or all of the Diagnostic and Statistical Manual of Mental Disorders (4th ed. [DSM-IV]; American Psychiatric Association, 1994) personality disorders (PDs) may be omitted from the DSM (5th ed.; DSM-V) and replaced with a dimensional trait model of personality pathology (Krueger, Skodol, Livesley, Shrout, & Huang, 2007; Skodol, 2009). Several authors have expressed concerns that this may be difficult for clinicians and researchers who are more comfortable with the extant PD diagnoses. In this study, we tested whether clinician ratings of traits from the Five-factor model (FFM; Costa & McCrae, 1990) can be used to recreate DSM-IV PDs. Using a sample of 130 clinical outpatients, we tested the convergent and discriminant validity of the FFM PD counts in relation to consensus ratings of the DSM-IV PDs. We then examined whether the FFM and DSM-IV PD scores correlate in similar ways with self-reported personality traits from the Schedule for Nonadaptive and Adaptive Personality (Clark, 1993). Finally, we tested the clinical utility of the FFM PD counts in relation to functional impairment. Overall, the FFM PD counts, scored using clinician ratings of the FFM traits, appeared to function like the DSM-IV PDs, thus suggesting that the use of a dimensional trait model of personality in the DSM-V may still allow for an assessment of the DSM-IV PD constructs. PMID:20552504

  12. Vapor-liquid-soild growth of group IV (Si, Ge, Si1-xGe x) single and heterostructured nanowires

    NASA Astrophysics Data System (ADS)

    Minassian, Sharis

    In this thesis, an alternative Si source, disilane (Si2H 6) has been investigated which is of interest since it is more reactive than SiH4 and therefore may enable higher growth rates at lower temperature and lower partial pressures. The lower thermal stability of Si 2H6 could also be an advantage to enable the growth of Si 1-xGex nanowires over the entire composition range at lower temperatures which are more compatible with the range of conditions typically used for Ge nanowire growth and in turn may enable the fabrication of different types of heterostructures. To fulfill the objective of this research, a systematic study has been developed to explore the growth of group IV (Si, Ge, and Si 1-xGex alloy) single and heterostructured nanowires from Si2H6 and GeH4 precursors. First, the growth kinetics of individual SiNWs from Si2H 6 was investigated by examining the effects of growth parameters on their growth rate. The results were compared to that obtained with SiH 4. In addition, to gain a better insight into the SiNW growth process, the results were also compared with Si films deposited under similar conditions inside the same reactor. Overall compared to SiH4, the use of Si 2H6 enabled higher growth rates for both SiNWs and Si films. For both gases, a nonlinearity was observed in the growth rate of nanowire as a function of gas partial pressure which was explained by a simple decomposition mechanism including the adsorption, desorption and incorporation of precursor molecule on the Au droplet surface. The apparent activation energy of the process was found to be identical for both gases under the conditions examined in the present study, suggesting similar rate-determining step in the nanowire growth process from the two precursors. Upon completion of studies on SiNW growth, the synthesis parameter space was then determined for undoped GeNWs and the influence of growth conditions on their morphology as well as their growth rate was examined. It was found that

  13. 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. PMID:27451112

  14. 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.

  15. Temperature Distributions in LMR Fuel Pin Bundles as Modeled by COBRA-IV-I

    NASA Astrophysics Data System (ADS)

    Wright, Steven A.; Stout, Sherry

    2005-02-01

    Most pin type reactor designs for space power or terrestrial applications group the fuel pins into a number of relatively large fuel pin bundles or subassemblies. Fuel bundles for terrestrial liquid metal fast breeders reactors typically use 217 - 271 pins per sub-assembly, while some SP100 designs use up to 331 pins in a central subassembly that was surrounded by partial assemblies. Because thermal creep is exponentially related to temperature, small changes in fuel pin cladding temperature can make large differences in the lifetime in a high temperature liquid metal reactor (LMR). This paper uses the COBRA-IV-I computer code to determine the temperature distribution within LMR fuel bundles. COBRA-IV-I uses the sub-channel analysis approach to determine the enthalpy (or temperature) and flow distribution in rod bundles for both steady-state and transient conditions. The COBRA code runs in only a few seconds and has been benchmarked and tested extensively over a wide range of flow conditions. In this report the flow and temperature distributions for two types of lithium cooled space reactor core designs were calculated. One design uses a very tight fuel pin packing that has a pitch to diameter ratio of 1.05 (small wire wrap with a diameter of 392 μm) as proposed in SP100. The other design uses a larger pitch to diameter ratio of 1.09 with a larger more conventional sized wire wrap diameter of 1 mm. The results of the COBRA pin bundle calculations show that the larger pitch-to-diameter fuel bundle designs are more tolerant to local flow blockages, and in addition they are less sensitive to mal-flow distributions that occur near the edges of the subassembly.

  16. Temperature Distributions in LMR Fuel Pin Bundles as Modeled by COBRA-IV-I

    SciTech Connect

    Wright, Steven A.; Stout, Sherry

    2005-02-06

    Most pin type reactor designs for space power or terrestrial applications group the fuel pins into a number of relatively large fuel pin bundles or subassemblies. Fuel bundles for terrestrial liquid metal fast breeders reactors typically use 217 - 271 pins per sub-assembly, while some SP100 designs use up to 331 pins in a central subassembly that was surrounded by partial assemblies. Because thermal creep is exponentially related to temperature, small changes in fuel pin cladding temperature can make large differences in the lifetime in a high temperature liquid metal reactor (LMR). This paper uses the COBRA-IV-I computer code to determine the temperature distribution within LMR fuel bundles. COBRA-IV-I uses the sub-channel analysis approach to determine the enthalpy (or temperature) and flow distribution in rod bundles for both steady-state and transient conditions. The COBRA code runs in only a few seconds and has been benchmarked and tested extensively over a wide range of flow conditions. In this report the flow and temperature distributions for two types of lithium cooled space reactor core designs were calculated. One design uses a very tight fuel pin packing that has a pitch to diameter ratio of 1.05 (small wire wrap with a diameter of 392 {mu}m) as proposed in SP100. The other design uses a larger pitch to diameter ratio of 1.09 with a larger more conventional sized wire wrap diameter of 1 mm. The results of the COBRA pin bundle calculations show that the larger pitch-to-diameter fuel bundle designs are more tolerant to local flow blockages, and in addition they are less sensitive to mal-flow distributions that occur near the edges of the subassembly.

  17. 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

  18. 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…

  19. DEVELOPMENT AND TESTING OF THE CBM-IV (CARBON-BOND MECHANISM) FOR URBAN AND REGIONAL MODELING

    EPA Science Inventory

    The development and testing of an updated Carbon Bond Mechanism (CBM) is described. The new mechanism, called CBM-IV, was designed for use in EPA's OZIPM-EKMA model. The mechanism, however, is also suitable for use in large air quality simulation models such as the Urban Airshed ...

  20. 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.

  1. Enantioselective hydrogenation. IV. Hydrogen isotope exchange in 10,11-dihydrocinchonidine and in quinoline catalyzed by platinum group metals

    SciTech Connect

    Bond, G.; Wells, P.B.

    1994-12-01

    Hydrogen isotope (H/D) exchange in the alkaloid 10,11-dihydrocinchonidine has been studied over 6.4% Pt/silica (EUROPT-1), 5% Ru/alumina, 5% Rh/alumina, and 5% Pd/alumina at 293 K using C{sub 2}H{sub 5}OD and D{sub 2} as solvent and deuterium source. Exchange was accompanied by hydrogenation. Over Pt, fast exchange occurred in the hydroxyl group followed by multiple exchange in which alkaloid molecules containing, 2, 3, 4 and 5 deuterium atoms were formed simultaneously. Mass spectrometry and {sup 1}H NMR showed that this multiple exchange occurred in the quinoline ring system and at C{sub 9}, but not in the quinuclidine ring system. The pattern of exchange in Ru was similar. Over Rh extensive hydrogenolysis of the quinuclidine ring system occurred, and over Pd the quinoline ring system was rapidly hydrogenated. Quinoline exchange and hydrogenation were also studied at 293 K; relatively rapid exchange occurred over Pt, Ru, and Rh, particularly at the 2- and 8-positions, whereas hydrogenation without significant exchange occurred over Pd. 10,11-Dihydrocinchonidine is adsorbed on Pt and Ru via the quinoline ring system and the multiple nature of the exchange indicates that the quinoline moiety is adsorbed approximately parallel to the metal surface by multicenter {pi}-bonding. An additional interaction of the alkaloid molecule with the surface occurs at carbon atom C{sub 9}, which may interpret the slower exchange in the alkaloid by comparison with that in quinoline. This study supports and enhances the model proposed to interpret the origin of enantioselectivity in pyruvate hydrogenation over Pt and Ir modified by cinchona alkaloids. The similarities of exchange over Pt and Ru suggest that enantioselective catalysis should be achievable over Ru. 28 refs., 2 figs., 2 tabs.

  2. Solution chemistry of Mo(III) and Mo(IV): Thermodynamic foundation for modeling localized corrosion.

    SciTech Connect

    Wang, P; Wilson, L; Wesolowski, David J

    2010-05-01

    To investigate the behavior of molybdenum dissolution products in systems that approximate localized corrosion environments, solubility of Mo(III) in equilibrium with solid MoO{sub 2} has been determined at 80 C as a function of solution acidity, chloride concentration and partial pressure of hydrogen. The measurements indicate a strong increase in solubility with acidity and chloride concentration and a weak effect of hydrogen partial pressure. The obtained results have been combined with literature data for systems containing Mo(III), Mo(IV), and Mo(VI) in solutions to develop a comprehensive thermodynamic model of aqueous molybdenum chemistry. The model is based on a previously developed framework for simulating the properties of electrolyte systems ranging from infinite dilution to solid saturation or fused salt limit. To reproduce the measurements, the model assumes the presence of a chloride complex of Mo(III) (i.e., MoCl{sup 2+}) and hydrolyzed species (MoOH{sup 2+}, Mo(OH){sup 2+}, and Mo(OH){sub 3}{sup 0}) in addition to the Mo{sup 3+} ion. The model generally reproduces the experimental data within experimental scattering and provides a tool for predicting the phase behavior and speciation in complex, concentrated aqueous solutions. Thus, it provides a foundation for simulating the behavior of molybdenum species in localized corrosion environments.

  3. Chemical modeling of arsenic(III, V) and selenium(IV, VI) adsorption by soils surrounding ash disposal facilities

    SciTech Connect

    Goldberg, S.; Hyun, S.; Lee, L.S.

    2008-11-15

    Leachate derived from coal ash disposal facilities is a potential anthropogenic source of As and Se to the environment. To establish a practical framework for predicting attenuation and transport of As and Se in ash leachates, the adsorption of As(III), As(V), Se(IV), and Se(VI) had been characterized in prior studies for 18 soils obtained downgradient from ash landfill sites and representing a wide range of soil properties. The constant capacitance model was applied for the first time to describe As(III), As(V), Se(IV), and Se(VI) adsorption on soils as a function of equilibrium solution As(III), As(V), Se(IV), and Se(VI) concentrations. Prior applications of the model had been restricted to describing Se(IV) and As(V) adsorption by soils as a function of solution pH. The constant capacitance model was applied for the first time to describe As(III) and Se(VI) adsorption by soils. The model was able to describe adsorption of these ions on all soils as a function of solution ion concentration by optimizing only one adjustable parameter, the anion surface complexation constant. This chemical model represents an advancement over adsorption isotherm equation approaches that contain two empirical adjustable parameters. Incorporation of these anion surface complexation constants obtained with the constant capacitance model into chemical speciation transport models will allow simulation of soil solution anion concentrations under diverse environmental and agricultural conditions.

  4. 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

    2015-04-01

    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. PMID:25595969

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

    PubMed Central

    Mateo, Zaira; Porter, James T.

    2015-01-01

    Previously, we demonstrated that group II 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 EPSCs and intra-barrel EPSCs in slices from animals of different ages (P7–53). We found that the depression of thalamocortical EPSCs by stimulation 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 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. PMID:25595969

  6. The carboxyl group of Glu113 is required for stabilization of the diferrous and bis-FeIV states of MauG

    PubMed Central

    Tarboush, Nafez Abu; Yukl, Erik T.; Shin, Sooim; Feng, Manliang; Wilmot, Carrie M.; Davidson, Victor L.

    2013-01-01

    The diheme enzyme MauG catalyzes a six-electron oxidation required for posttranslational modification of a precursor of methylamine dehydrogenase (preMADH) to complete the biosynthesis of its protein-derived tryptophan tryptophylquinone (TTQ) cofactor. Crystallographic studies have implicated Glu113 in the formation of the bis-FeIV state of MauG, in which one heme is FeIV=O and the other is FeIV with His-Tyr axial ligation. An E113Q mutation had no effect on the structure of MauG, but significantly altered its redox properties. E113Q MauG could not be converted to the diferrous state by reduction with dithionite, but was only reduced to a mixed valence FeII/FeIII state, which is never observed in wild-type (WT) MauG. Addition of H2O2 to E113Q MauG generated a high valence state that formed more slowly and was less stable than the bis-FeIV state of WT MauG. E113Q MauG exhibited no detectable TTQ biosynthesis activity in a steady-state assay with preMADH as the substrate. It did catalyze the steady-state oxidation of quinol MADH to the quinone, but 1000-fold less efficiently than WT MauG. Addition of H2O2 to a crystal of the E113Q MauG-preMADH complex resulted in partial synthesis of TTQ. Extended exposure of these crystals to H2O2 resulted in hydroxylation of Pro107 in the distal pocket of the high-spin heme. It is concluded that the loss of the carboxylic group of Glu113 disrupts the redox cooperativity between hemes that allows rapid formation of the diferrous state, and alters the distribution of high-valence species that participate in charge-resonance stabilization of the bis-FeIV redox state. PMID:23952537

  7. Carboxyl group of Glu113 is required for stabilization of the diferrous and bis-Fe(IV) states of MauG.

    PubMed

    Abu Tarboush, Nafez; Yukl, Erik T; Shin, Sooim; Feng, Manliang; Wilmot, Carrie M; Davidson, Victor L

    2013-09-17

    The diheme enzyme MauG catalyzes a six-electron oxidation required for post-translational modification of a precursor of methylamine dehydrogenase (preMADH) to complete the biosynthesis of its protein-derived tryptophan tryptophylquinone (TTQ) cofactor. Crystallographic studies have implicated Glu113 in the formation of the bis-Fe(IV) state of MauG, in which one heme is Fe(IV)═O and the other is Fe(IV) with His-Tyr axial ligation. An E113Q mutation had no effect on the structure of MauG but significantly altered its redox properties. E113Q MauG could not be converted to the diferrous state by reduction with dithionite but was only reduced to a mixed valence Fe(II)/Fe(III) state, which is never observed in wild-type (WT) MauG. Addition of H2O2 to E113Q MauG generated a high valence state that formed more slowly and was less stable than the bis-Fe(IV) state of WT MauG. E113Q MauG exhibited no detectable TTQ biosynthesis activity in a steady-state assay with preMADH as the substrate. It did catalyze the steady-state oxidation of quinol MADH to the quinone, but 1000-fold less efficiently than WT MauG. Addition of H2O2 to a crystal of the E113Q MauG-preMADH complex resulted in partial synthesis of TTQ. Extended exposure of these crystals to H2O2 resulted in hydroxylation of Pro107 in the distal pocket of the high-spin heme. It is concluded that the loss of the carboxylic group of Glu113 disrupts the redox cooperativity between hemes that allows rapid formation of the diferrous state and alters the distribution of high-valence species that participate in charge-resonance stabilization of the bis-Fe(IV) redox state. PMID:23952537

  8. The fourth radiation transfer model intercomparison (RAMI-IV): Proficiency testing of canopy reflectance models with ISO-13528

    NASA Astrophysics Data System (ADS)

    Widlowski, J.-L.; Pinty, B.; Lopatka, M.; Atzberger, C.; Buzica, D.; Chelle, M.; Disney, M.; Gastellu-Etchegorry, J.-P.; Gerboles, M.; Gobron, N.; Grau, E.; Huang, H.; Kallel, A.; Kobayashi, H.; Lewis, P. E.; Qin, W.; Schlerf, M.; Stuckens, J.; Xie, D.

    2013-07-01

    The radiation transfer model intercomparison (RAMI) activity aims at assessing the reliability of physics-based radiative transfer (RT) models under controlled experimental conditions. RAMI focuses on computer simulation models that mimic the interactions of radiation with plant canopies. These models are increasingly used in the development of satellite retrieval algorithms for terrestrial essential climate variables (ECVs). Rather than applying ad hoc performance metrics, RAMI-IV makes use of existing ISO standards to enhance the rigor of its protocols evaluating the quality of RT models. ISO-13528 was developed "to determine the performance of individual laboratories for specific tests or measurements." More specifically, it aims to guarantee that measurement results fall within specified tolerance criteria from a known reference. Of particular interest to RAMI is that ISO-13528 provides guidelines for comparisons where the true value of the target quantity is unknown. In those cases, "truth" must be replaced by a reliable "conventional reference value" to enable absolute performance tests. This contribution will show, for the first time, how the ISO-13528 standard developed by the chemical and physical measurement communities can be applied to proficiency testing of computer simulation models. Step by step, the pre-screening of data, the identification of reference solutions, and the choice of proficiency statistics will be discussed and illustrated with simulation results from the RAMI-IV "abstract canopy" scenarios. Detailed performance statistics of the participating RT models will be provided and the role of the accuracy of the reference solutions as well as the choice of the tolerance criteria will be highlighted.

  9. Neurologic, gastric, and opthalmologic pathologies in a murine model of mucolipidosis type IV.

    PubMed

    Venugopal, Bhuvarahamurthy; Browning, Marsha F; Curcio-Morelli, Cyntia; Varro, Andrea; Michaud, Norman; Nanthakumar, Nanda; Walkley, Steven U; Pickel, James; Slaugenhaupt, Susan A

    2007-11-01

    Mucolipidosis type IV (MLIV) is an autosomal recessive lysosomal storage disorder caused by mutations in the MCOLN1 gene, which encodes the 65-kDa protein mucolipin-1. The most common clinical features of patients with MLIV include severe mental retardation, delayed motor milestones, ophthalmologic abnormalities, constitutive achlorhydria, and elevated plasma gastrin levels. Here, we describe the first murine model for MLIV, which accurately replicates the phenotype of patients with MLIV. The Mcoln1(-/-) mice present with numerous dense inclusion bodies in all cell types in brain and particularly in neurons, elevated plasma gastrin, vacuolization in parietal cells, and retinal degeneration. Neurobehavioral assessments, including analysis of gait and clasping, confirm the presence of a neurological defect. Gait deficits progress to complete hind-limb paralysis and death at age ~8 mo. The Mcoln1(-/-) mice are born in Mendelian ratios, and both male and female Mcoln1(-/-) mice are fertile and can breed to produce progeny. The creation of the first murine model for human MLIV provides an excellent system for elucidating disease pathogenesis. In addition, this model provides an invaluable resource for testing treatment strategies and potential therapies aimed at preventing or ameliorating the abnormal lysosomal storage in this devastating neurological disorder. PMID:17924347

  10. Molecular-based synthetic approach to new group IV materials for high-efficiency, low-cost solar cells and Si-based optoelectronics.

    PubMed

    Fang, Yan-Yan; Xie, Junqi; Tolle, John; Roucka, Radek; D'Costa, Vijay R; Chizmeshya, Andrew V G; Menendez, Jose; Kouvetakis, John

    2008-11-26

    Ge(1-x-y)Si(x)Sn(y) alloys have emerged as a new class of highly versatile IR semiconductors offering the potential for independent variation of band structure and lattice dimension, making them the first practical group IV ternary system fully compatible with Si CMOS processing. In this paper we develop and apply new synthetic protocols based on designer molecular hydrides of Si, Ge, and Sn to demonstrate this concept from a synthesis perspective. Variation of the Si/Sn ratio in the ternary leads to an entirely new family of semiconductors exhibiting tunable direct band gaps (E(o)) ranging from 0.8 to 1.2 eV at a fixed lattice constant identical to that of Ge, as required for the design of high-efficiency multijunction solar cells based on group IV/III-V hybrids. As a proof-of-concept demonstration, we fabricated lattice-matched Si(100)/Ge/SiGeSn/InGaAs architectures on low-cost Si(100) substrates for the first time. These exhibit the required optical, structural, and thermal properties, thus representing a viable starting point en route to a complete four-junction photovoltaic device. In the context of Si-Ge-Sn optoelectronic applications, we show that Ge(1-x-y)Si(x)Sn(y) alloys serve as higher-gap barrier layers for the formation of light emitting structures based on Ge(1-y)Sn(y) quantum wells grown on Si. PMID:19032100

  11. 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.

  12. 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. PMID:26334543

  13. On the relation between the microscopic structure and the sound velocity anomaly in elemental melts of groups IV, V, and VI.

    PubMed

    Greenberg, Yaron; Yahel, Eyal; Caspi, El'ad N; Beuneu, Brigitte; Dariel, Moshe P; Makov, Guy

    2010-09-01

    The sound velocity of some liquid elements of groups IV, V, and VI, as reported in the literature, displays anomalous features that set them apart from other liquid metals. In an effort to determine a possible common origin of these anomalies, extensive neutron diffraction measurements of liquid Bi and Sb were carried out over a wide temperature range. The structure factors of liquid Sb and Bi were determined as a function of temperature. The structure of the two molten metals was carefully analyzed with respect to peak locations, widths, and coordination numbers in their respective radial distribution function. The width of the peaks in the radial distribution functions was not found to increase and even decreased within a certain temperature range. This anomalous temperature dependence of the peak widths correlates with the anomalous temperature dependence of the sound velocity. This correlation may be accounted for by increased rigidity of the liquid structure with temperature. A phenomenological correlation between the peak width and the sound velocity is suggested for metallic melts and is found to agree with available data for normal and anomalous elemental liquids in groups IV-VI. PMID:20831323

  14. Probing Bis-Fe(IV) MauG: Experimental Evidence for the Long-Range Charge-Resonance Model

    PubMed Central

    Geng, Jiafeng; Davis, Ian

    2015-01-01

    The biosynthesis of tryptophan tryptophylquinone, a protein-derived cofactor, involves a long-range reaction mediated by a bis-Fe(IV) intermediate of a di-heme enzyme, MauG. Recently, a unique charge-resonance (CR) phenomenon was discovered in this intermediate, and a biological, long-distance CR model was proposed. This model suggests that the chemical nature of the bis-Fe(IV) species is not as simple as it appears; rather, it is composed of a collection of resonance structures in a dynamic equilibrium. Here, we experimentally evaluated the proposed CR model by introducing small molecules to, and measuring the temperature dependence of, bis-Fe(IV) MauG. Spectroscopic evidence was presented to demonstrate that the selected compounds increase the decay rate of the bis-Fe(IV) species via disrupting the equilibrium of the resonance structures that constitutes the proposed CR model. The results support this new CR model and bring a fresh concept to the classical CR theory. PMID:25631460

  15. 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. PMID:25974189

  16. A Dynamic Model of Group Interaction.

    ERIC Educational Resources Information Center

    Bauer, Connie L.; And Others

    A theory of group interaction with a focus on the trajectories of relevant variables as they change over time is developed in this paper. The four major components of the group interaction process (communication, conflict, involvement, and centralization) are presented and conceptually defined, and the nature of their interdependence is discussed.…

  17. 45 CFR 310.10 - What are the functional requirements for the Model Tribal IV-D System?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 2 2010-10-01 2010-10-01 false What are the functional requirements for the Model Tribal IV-D System? 310.10 Section 310.10 Public Welfare Regulations Relating to Public Welfare OFFICE OF CHILD SUPPORT ENFORCEMENT (CHILD SUPPORT ENFORCEMENT PROGRAM), ADMINISTRATION FOR CHILDREN AND FAMILIES, DEPARTMENT OF HEALTH AND...

  18. Chemical Variations Among L-Chondrites--IV. Analyses, with Petrographic Notes, of 13 L-group and 3 LL-group Chondrites

    NASA Astrophysics Data System (ADS)

    Jarosewich, E.; Dodd, R. T.

    1985-03-01

    We review our procedures for selecting, preparing and analyzing meteorite samples, present new analyses of 16 ordinary chondrites, and discuss variations of Fe, S and Si in the L-group. A tendency for Fe/Mg, S/Mg and Si/Mg to be low in L chondrites of facies d to f testifies that post-metamorphic shock melting played a significant role in the chemical diversification of the L-group. However, these ratios also vary widely and sympathetically in melt-free chondrites, indicating that much of the L-group's chemical variation arose prior to thermal metamorphism and is in that sense primary. If all L chondrites come from one parent body, type-correlated chemical trends suggest: 1) that the body had a traditional "onion skin" structure, with metamorphic intensity increasing with depth; and 2) that it formed from material that became more homogeneous, slightly poorer in iron, and significantly richer in sulfur as accretion proceeded.

  19. The group IV-A cyclic nucleotide-gated channels, CNGC19 and CNGC20, localize to the vacuole membrane in Arabidopsis thaliana

    PubMed Central

    Yuen, Christen C. Y.; Christopher, David A.

    2013-01-01

    Plant cyclic nucleotide-gated channels (CNGCs) are implicated in the uptake of both essential and toxic cations, Ca2+ signalling, and responses to biotic and abiotic stress. The 20 CNGC paralogues of Arabidopsis are divided into five evolutionary groups. Group IV-A is highly isolated and consists only of two closely spaced genes, CNGC19 and CNGC20. Prior studies have shown that both genes are induced by salinity and biotic stress. A unique feature of CNGC19 and CNGC20 is their long hydrophilic N-termini. To determine the subcellular locations of CNGC19 and CNGC20, partial and full-length fusions to GFP(S65T) were generated. Translational fusions of the N-termini of CNGC19 (residues 1–171) and CNGC20 (residues 1–200) to GFP(S65T) were targeted to punctate structures when transiently expressed in leaf protoplasts. In the case of CNGC20, but not CNGC19, the punctate structures were co-labelled with a marker for the Golgi. The full-length CNGC19-GFP fusion co-localized with markers for the vacuole membrane (αTIP- and γTIP-mCherry). Vacuole membrane labelling by the full-length CNGC20-GFP fusion was also observed, but the signal was weak and accompanied by numerous punctate signals that did not co-localize with αTIP- or γTIP-mCherry. These punctate structures diminished, and localization of full-length CNGC20-GFP to the vacuole increased, when it was co-expressed with the full-length CNGC19-mCherry. Vacuole membrane labelling was also detected in planta via immunoelectron microscopy using a CNGC20-antiserum on cryopreserved ultrathin sections of roots. We hypothesize that the role of group IV-A CNGCs is to mediate the movement of cations between the central vacuole and the cytosol in response to certain types of abiotic and biotic stress.

  20. “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.

  1. Performance modeling of the Ballard Mark IV solid polymer electrolyte fuel cell. 1: Mechanistic model development

    SciTech Connect

    Amphlett, J.C.; Baumert, R.M.; Mann, R.F.; Peppley, B.A.; Roberge, P.R. ); Harris, T.J. )

    1995-01-01

    A parametric model predicting the performance of a solid polymer electrolyte, proton exchange membrane (PEM) fuel cell has been developed using a combination of mechanistic and empirical modeling techniques. This paper details the mechanistic model development. Mass transport properties are considered in the mechanistic development via Stefan-Maxwell equations. Thermodynamic equilibrium potentials are defined using the Nernst equation. Activation overvoltages are defined via a Tafel equation, and internal resistance are defined via the Nernst-Planck equation, leading to a definition of ohmic overvoltage via an Ohm's law equation. The mechanistic model cannot adequately model fuel cell performance, since several simplifying approximations have been used in order to facilitate model development. Additionally, certain properties likely to be observed in operational fuel cells, such as thermal gradients, have not been considered. Nonetheless, the insights gained from the mechanistic assessment of fuel cell processes were found to give the resulting empirical model a firmer theoretical basis than many of the models presently available in the literature. Correlation of the empirical model to actual experimental data was very good.

  2. A Chakra-Based Model of Group Development.

    ERIC Educational Resources Information Center

    Gilchrist, Roger; Mikulas, William L.

    1993-01-01

    Describes a model for sequential stages of group development based on yogic chakra system. Compares chakra-based model with other models of group developmental stages. Using context of chakra system, specifies basic dynamic issues and leader interventions for each stage and discusses relationship of individual development to group process. (Author)

  3. 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.

  4. Performance modeling of the Ballard Mark IV solid polymer electrolyte fuel cell. 2: Empirical model development

    SciTech Connect

    Amphlett, J.C.; Baumert, R.M.; Mann, R.F.; Peppley, B.A.; Roberge, P.R. ); Harris, T.J. )

    1995-01-01

    A parametric model predicting the performance of a solid polymer electrolyte, proton exchange membrane (PEM) fuel cell has been developed using a combination of mechanistic and empirical modeling techniques. This paper details the empirical analysis which yielded the parametric coefficients employed in the model. A 28 run experiment covering a range of operating currents (50 to 300 ASF), temperatures (328 to 358 K), oxygen partial pressures (0.6 to 3.1 atm abs.) and hydrogen partial pressures (2.0 to 3.1 atm abs.) was conducted. Parametric equations for the activation overvoltage and the internal resistance of the fuel cell were obtained from linear regression. The factors to be employed in the linear regression had been previously determined through a mechanistic analysis of fuel cell processes. Activation overvoltage was modeled as a function of the operating temperature, the product of operating temperature, and the logarithm of the operating current, and the product of operating temperature and the logarithm of the oxygen concentration at the catalyst reaction sites. The internal resistance of the fuel cell was modeled as a function of the operating temperature and the current. Correlation of the empirical model to experimental data was very good. It is anticipated that the mechanistic validity yielded by the coupling of mechanistic and empirical modeling techniques will also allow for accurate predictive capabilities outside of the experimental range.

  5. 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…

  6. Control of the growth orientation and electrical properties of polycrystalline Cu2O thin films by group-IV elements doping

    NASA Astrophysics Data System (ADS)

    Ishizuka, Shogo; Akimoto, Katsuhiro

    2004-11-01

    The effects of group-IV element dopants on the structural and electrical properties of Cu2O thin films were studied. Similar dopant-induced behavior was found in the observed variations of the growth orientation and electrical properties of Si- and Ge-doped Cu2O thin films. Ge doping was found to induce electrically active acceptors with an activation energy of 0.18 eV, comparable to the 0.19 eV value of Si-doped Cu2O. These results suggest that locally formed silicate and germanate have the same effect on the structural and electrical properties of Cu2O. On the other hand, Sn and Pb likely act as donors when incorporated substitutionally onto Cu-lattice sites, although further study may be required to suppress self-compensation effects in Cu2O to achieve n-type conductivity.

  7. pH-responsive and photostable group IV metal oxide functionalized porous silicon platforms and novel applications of spectroscopic imaging methods for functional and hybrid materials analysis

    NASA Astrophysics Data System (ADS)

    Destino, Joel F.

    This dissertation covers two research topics that center on the spectroscopic characterization of functional materials. First, the performance (i.e. pH stability, photostability, shelf life) of novel photoluminescent group IV metal oxide functionalized porous silicon platforms is discussed. Spectroscopic techniques are used to provide insight into the chemistry of these substrates, and investigate pH-dependent PL response. The second section covers various novel applications of spectroscopic imaging methods. Colocalized Raman and atomic force microscopy and fluorescence imaging results for two- and three-component hybrid antifouling xerogel thin films are presented. Analysis investigates the relationship between surface structure, surface charge, surface pH and chemistry as it relates to antifouling performance. Lastly, practical aspects of tip-enhanced Raman spectroscopy are discussed and preliminary results of WS2 on Au are presented.

  8. Geographic structure evidenced in the toxic dinoflagellate Alexandrium pacificum Litaker (A. catenella - group IV (Whedon & Kofoid) Balech) along Japanese and Chinese coastal waters.

    PubMed

    Genovesi, Benjamin; Berrebi, Patrick; Nagai, Satoshi; Reynaud, Nathalie; Wang, Jinhui; Masseret, Estelle

    2015-09-15

    The intra-specific diversity and genetic structure within the Alexandrium pacificum Litaker (A. catenella - Group IV) populations along the Temperate Asian coasts, were studied among individuals isolated from Japan to China. The UPGMA dendrogram and FCA revealed the existence of 3 clusters. Assignment analysis suggested the occurrence of gene flows between the Japanese Pacific coast (cluster-1) and the Chinese Zhejiang coast (cluster-2). Human transportations are suspected to explain the lack of genetic difference between several pairs of distant Japanese samples, hardly explained by a natural dispersal mechanism. The genetic isolation of the population established in the Sea of Japan (cluster-3) suggested the existence of a strong ecological and geographical barrier. Along the Pacific coasts, the South-North current allows limited exchanges between Chinese and Japanese populations. The relationships between Temperate Asian and Mediterranean individuals suggested different scenario of large-scale dispersal mechanisms. PMID:26188429

  9. 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.

  10. Vanadium(V) and -(IV) complexes of anionic polysaccharides: Controlled release pharmaceutical formulations and models of vanadium biotransformation products.

    PubMed

    Kremer, Lauren E; McLeod, Andrew I; Aitken, Jade B; Levina, Aviva; Lay, Peter A

    2015-06-01

    Uncontrolled reactions in biological media are a main obstacle for clinical translation of V-based anti-diabetic or anti-cancer pro-drugs. We investigated the use of controlled-release pharmaceutical formulations to ameliorate this issue with a series of V(V) and (IV) complexes of anionic polysaccharides. Carboxymethyl cellulose, xanthan gum, or alginic acid formulations were prepared by the reactions of [VO4](3-) with one or two molar equivalents of biological reductants, L-ascorbic acid (AA) or L-cysteine (Cys), in the presence of excess polysaccharide at pH~7 or pH~4. XANES studies with the use of a previously developed library of model V(V), V(IV) and V(III) complexes showed that reactions in the presence of AA led mostly to the mixtures of five- and six-coordinate V(IV) species, while the reactions in the presence of Cys led predominantly to the mixtures of five- and six-coordinate V(V) species. The XANES spectra of some of these samples closely matched those reported previously for [VO4](3-) biotransformation products in isolated blood plasma, red blood cells, or cultured adipocytes, which supports the hypothesis that modified polysaccharides are major binders of V(V) and V(IV) in biological systems. Studies by EPR spectroscopy suggested predominant V(IV)-carboxylato binding in complexes with polysaccharides. One of the isolated products (a V(IV)-alginato complex) showed selective release of low-molecular-mass V species at pH~8, but not at pH~2, which makes it a promising lead for the development of V-containing formulations for oral administration that are stable in the stomach, but release the active ingredient in the intestines. PMID:25958254

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

    SciTech Connect

    Blaise Collin

    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

  12. 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.

  13. Group therapy model for refugee and torture survivors.

    PubMed

    Kira, Ibrahim A; Ahmed, Asha; Mahmoud, Vanessa; Wasim, Fatima

    2010-01-01

    The paper discusses the Center for Torture and Trauma Survivors' therapy group model for torture survivors and describes two of its variants: The Bashal group for African and Somali women and the Bhutanese multi-family therapy group. Group therapies in this model extend to community healing. Groups develop their cohesion to graduate to a social community club or initiate a community organization. New graduates from the group join the club and become part of the social advocacy process and of group and individual support and community healing. The BASHAL Somali women's group that developed spontaneously into a socio-political club for African women, and the Bhutanese family group that consciously developed into a Bhutanese community organization are discussed as two variants of this new model of group therapy with torture survivors. PMID:20952827

  14. Some Observations on Specifying Models of Group Performance.

    ERIC Educational Resources Information Center

    Goodman, Paul; And Others

    The purpose of this paper is to identify some critical dimensions in specifying a model of group performance. In the first section, the boundaries of the paper, e.g., work groups that produce some identifiable good or service, are discussed. In the second section some models of group performance are explored in order to illustrate theories of…

  15. Toward a Communication Competency Model of Group Leadership.

    ERIC Educational Resources Information Center

    Barge, J. Kevin; Hirokawa, Randy Y.

    1989-01-01

    Argues that current models of group leadership fail to illuminate the relationship between leadership and group performance. Presents an alternative model of leadership based on communication competencies, which are influenced by task complexity, group climate, and role relationships. A series of heuristic propositions are offered linking…

  16. 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.

  17. Calorimetric, spectroscopic, and model studies provide insight into the transport of Ti(IV) by human serum transferrin.

    PubMed

    Tinoco, Arthur D; Incarvito, Christopher D; Valentine, Ann M

    2007-03-21

    Evidence suggests that transferrin can bind Ti(IV) in an unhydrolyzed form (without bound hydroxide or oxide) or in a hydrolyzed form. Ti(IV) coordination by N,N'-di(o-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid (HBED) at different pH values models the two forms of Ti(IV)-loaded transferrin spectrally and structurally. 13C NMR and stopped-flow kinetic experiments reveal that when the metal is delivered to the protein using an unhydrolyzed source, Ti(IV) can coordinate in the typical distorted octahedral environment with a bound synergistic anion. The crystal structure of TiHBED obtained at low pH models this type of coordination. The solution structure of the complex compares favorably with the solid state from pH 3.0 to 4.0, and the complex can be reduced with E1/2 = -641 mV vs NHE. Kinetic and thermodynamic competition studies at pH 3.0 reveal that Ti(citrate)3 reacts with HBED via a dissociative mechanism and that the stability of TiHBED (log beta = 34.024) is weaker than that of the Fe(III) complex. pH stability studies show that Ti(IV) hydrolyzes ligand waters at higher pH but still remains bound to HBED until pH 9.5. Similarly, at a pH greater than 8.0 the synergistic anion that binds Ti(IV) in transferrin is readily displaced by irreversible metal hydrolysis although the metal remains bound to the protein until pH 9.5. Thermal denaturation studies conducted optically and by differential scanning calorimetry reveal that Ti(IV)-bound transferrin experiences only minimal enhanced thermal stability unlike when Fe(III) is bound. The C- and N-lobe transition Tm values shift to a few degrees higher. The stability, competition, and redox studies performed provide insight into the possible mechanism of Ti2-Tf transport in cells. PMID:17315875

  18. 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

  19. African American Children: A Culturally Sensitive Model for Group Practice.

    ERIC Educational Resources Information Center

    Dziegielewski, Sophia F.; Leon, Ana M.; Green, Cheryl E.

    1998-01-01

    Describes a time-limited group model of intervention based on culturally sensitive practice for African-American children, ages 8-12 years old. This group model emphasizes the role of social workers in providing culturally sensitive treatment; introduces this specific model for practice in the short-term treatment setting; and provides specific…

  20. 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.

  1. 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.

  2. 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. PMID:26256057

  3. 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

  4. 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

  5. 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…

  6. 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…

  7. A Model for Teaching Group Dynamics to Occupational Therapy Students.

    ERIC Educational Resources Information Center

    Kautzmann, Lisette

    A model for teaching group dynamics to undergraduate occupational therapy students was developed. The model incorporated adult education methodology in the teaching of group leadership and personal growth. A literature review was undertaken to identify the purpose and components of laboratory education, which was recognized as the preferred method…

  8. 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

  9. DSM-IV-defined anxiety disorder symptoms in a middle-childhood-aged group of Malaysian children using the Spence Children's Anxiety Scale.

    PubMed

    Ahmadi, Atefeh; Mustaffa, Mohamed Sharif; Udin, Amirmudin; Haghdoost, AliAkbar

    2016-03-01

    Introduction Pediatric anxiety disorders are the most common mental health disorders in the middle-childhood age group. The purpose of this study is to assess anxiety disorder symptoms, as defined by the Diagnostic and Statistical Manual of Mental Disorders, 4th edition (DSM-IV), in a large community sample of low socioeconomic level rural children and to investigate some of the psychometric properties (internal consistency, construct and convergent validity and items rated as often or always experienced) of the Malay version of the Spence Children's Anxiety Scale - Child version (SCAS-C). Method Six hundred children aged 9-11 and 424 of their parents completely answered the child or parent versions of the SCAS. Results Results indicated that the internal reliability of subscales were moderate to adequate. Significant correlations between child and parent reports supported the measure's concurrent validity. Additionally, anxiety levels in this Malaysian sample were lower than among South-African children and higher than among their Western peers. There were both similarities and differences between symptom items reported as often or always experienced by Malaysian students and by children from other cultures. Confirmatory factor analysis provided evidence of the existence of five inter-correlated factors for anxiety disorders based on SCAS-C. Conclusion Although some of the instrument's psychometric properties deviated from those observed in some other countries, it nevertheless appears to be useful for assessing childhood anxiety symptoms in this country. PMID:27007941

  10. 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.

  11. 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. PMID:26119974

  12. 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.

  13. Important role of the non-uniform Fe distribution for the ferromagnetism in group-IV-based ferromagnetic semiconductor GeFe

    SciTech Connect

    Wakabayashi, Yuki K.; Ohya, Shinobu; Ban, Yoshisuke; Tanaka, Masaaki

    2014-11-07

    We investigate the growth-temperature dependence of the properties of the group-IV-based ferromagnetic semiconductor Ge{sub 1−x}Fe{sub x} films (x = 6.5% and 10.5%), and reveal the correlation of the magnetic properties with the lattice constant, Curie temperature (T{sub C}), non-uniformity of Fe atoms, stacking-fault defects, and Fe-atom locations. While T{sub C} strongly depends on the growth temperature, we find a universal relationship between T{sub C} and the lattice constant, which does not depend on the Fe content x. By using the spatially resolved transmission-electron diffractions combined with the energy-dispersive X-ray spectroscopy, we find that the density of the stacking-fault defects and the non-uniformity of the Fe concentration are correlated with T{sub C}. Meanwhile, by using the channeling Rutherford backscattering and particle-induced X-ray emission measurements, we clarify that about 15% of the Fe atoms exist on the tetrahedral interstitial sites in the Ge{sub 0.935}Fe{sub 0.065} lattice and that the substitutional Fe concentration is not correlated with T{sub C}. Considering these results, we conclude that the non-uniformity of the Fe concentration plays an important role in determining the ferromagnetic properties of GeFe.

  14. 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

    2015-08-01

    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. PMID:26161678

  15. 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. PMID:19538078

  16. Computational modeling studies of the structures and properties of organotin(IV) and stannyl-thioether systems with comparisons to X-ray crystallography

    NASA Astrophysics Data System (ADS)

    Stem Joseph, Michelle R.

    Controlling the toxic effects of organotin(IV) compounds involves engineering the structure of the molecules to optimize their properties. Molecular engineering, coupled with improved capabilities to generate reliable computational optimization models (COMs), will enable researchers to have greater success at harnessing the highly specific cytotoxicity of organotins. For example, as the thio n ligand phenyl groups were replaced with Cl atoms, the S-Sn intramolecularity was strengthened, the bond distance decreased, and the stannyl tetrahedral structure was deformed from its triphenyl conformation. With each substitution, conformation deformations lowered the damaging bioactivity levels of thio n. Bonding various ligands to organotin(IV) compounds to control structure and electron density, is a significant method of using steric or chemical effects to control the properties of these compounds. Numerous computational optimization treatments (COTs) were applied to o-1-methylthio-benzyl-2-phenylxchloroystannane (thion, where x + y = 3). Exhaustive comparative analyses ascertained the accuracies of the computational optimized models (COMs) generated from each COT relative to experimental data, such as X-ray crystallography (XRC) and solid-state 119Sn NMR (NMR). Further analyses included: (a) three R2SnCl2 structures, (Me2SnCl 2, MePhSnCl2, Ph2SnCl2) such that R = methyl or phenyl, and (b) MeSnCl3 and Me3SnCl, where Me = methyl, and (c) the bimolecular complex, Ph2POCH2Cl·Ph 2SnCl2. This research determined for organotin(IV) molecules, thion : (1) reliable COTs, (2) validation methods, (3) complexities of creating reliable models, (4) hyperconjugation extended to include unexpected thioether OT molecular features, (5) a substitution method to control intramolecularity and hypercoordination, and (6) pre-optimization COM treatments and pre-optimization conformation changes that may influence final conformations. As external validation of the methodology, research on

  17. 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.

  18. Group therapy for refugees and torture survivors: treatment model innovations.

    PubMed

    Kira, Ibrahim A; Ahmed, Asha; Wasim, Fatima; Mahmoud, Vanessa; Colrain, Joanna; Rai, Dhan

    2012-01-01

    The paper discusses varieties of group therapies with refugees and torture survivors and the logic behind enhancing traditional group therapies to fit the unique experiences of refugees and torture survivors. It discusses some lessons learned from practice and from empirical research and some recommended adaptations. Finally, it discusses the Center for Torture and Trauma Survivors' therapy group model for torture survivors and describes two of its variants: The Bashal group for African and Somali women and the Bhutanese multi-family therapy group. Group therapies, in this model, extend to community healing. One of the essential and innovative features of the model is that it focuses not only on treating individual psychopathology but also extends to community healing by promoting the development of social clubs and organizations that promote the values and culture of the graduates of the therapy group and the continuation of social support. New graduates from the group join the club and become part of the social advocacy process and of group and community support and healing. This model adds an ecological dimension to the traditional group therapy. PMID:22229369

  19. 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.

  20. 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

  1. 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. PMID:24965589

  2. 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.

  3. 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

  4. 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

  5. Clinician's judgments of the utility of the DSM-IV and five-factor models for personality disordered patients.

    PubMed

    Mullins-Sweatt, Stephanie N; Widiger, Thomas A

    2011-08-01

    The purpose of the current study was to examine the clinical utility of the Diagnostic and Statistical Manual of Mental Disorders (4th ed.; DSM-IV; American Psychiatric Association, 2000) and the Five Factor Model of personality disorder (FFM; Widiger, Costa, & McCrae, 2002) in describing personality pathology. In the current study, practicing psychologists described one or two of their personality disordered patients in terms of the FFM and DSM models. In some instances, the patient was someone who met the criteria for one of the 10 DSM-IV personality disorders; in others, the patient was someone who received a diagnosis of personality disorder, not otherwise specified. Participants then rated each model on six aspects of clinical utility. The current study found that the FFM was consistently rated higher than the DSM model in terms of four of the six aspects of clinical utility. Across both cases, the clinicians rated the FFM as significantly more useful with respect to its ability to provide a global description of the individual's personality, to communicate information to clients, and to encompass all of the individual's important personality difficulties. PMID:21838562

  6. An implementation-independent threat model for group communications

    NASA Astrophysics Data System (ADS)

    Hester, Jason; Yurcik, William; Campbell, Roy

    2006-04-01

    The importance of group communications and the need to efficiently and reliably support it across a network is an issue of growing importance for the next decade. New group communication services are emerging such as multimedia conferencing/groupware, distributed interactive simulations, sensor fusion systems, command and control centers, and network-centric military applications. While a succession of point-to-point unicast routes could provide group communications, this approach is inherently inefficient and unlikely to support the increased resource requirements of these new services. There is the lack of a comprehensive process to designing security into group communications schemes. Designing such protection for group communications is best done by utilizing proactive system engineering rather than reacting with ad hoc countermeasures to the latest attack du jour. Threat modeling is the foundation for secure system engineering processes because it organizes system threats and vulnerabilities into general classes so they can be addressed with known protection techniques. Although there has been prior work on threat modeling primarily for software applications, however, to our knowledge this is the first attempt at implementation-independent threat modeling for group communications. We discuss protection challenges unique to group communications and propose a process to create a threat model for group communication systems independent of underlying implementation based on classical security principles (Confidentiality, Integrity, Availability, Authentication, or CIAA). It is our hope that this work will lead to better designs for protection solutions against threats to group communication systems.

  7. Complexes with Tunable Intramolecular Ferrocene to Ti(IV) Electronic Transitions: Models for Solid State Fe(II) to Ti(IV) Charge Transfer.

    PubMed

    Turlington, Michael D; Pienkos, Jared A; Carlton, Elizabeth S; Wroblewski, Karlee N; Myers, Alexis R; Trindle, Carl O; Altun, Zikri; Rack, Jeffrey J; Wagenknecht, Paul S

    2016-03-01

    Iron(II)-to-titanium(IV) metal-to-metal-charge transfer (MMCT) is important in the photosensitization of TiO2 by ferrocyanide, charge transfer in solid-state metal-oxide photocatalysts, and has been invoked to explain the blue color of sapphire, blue kyanite, and some lunar material. Herein, a series of complexes with alkynyl linkages between ferrocene (Fc) and Ti(IV) has been prepared and characterized by UV-vis spectroscopy and electrochemistry. Complexes with two ferrocene substituents include Cp2Ti(C2Fc)2, Cp*2Ti(C2Fc)2, and Cp2Ti(C4Fc)2. Complexes with a single ferrocene utilize a titanocene with a trimethylsilyl derivatized Cp ring, (TMS)Cp, and comprise the complexes (TMS)Cp2Ti(C2Fc)(C2R), where R = C6H5, p-C6H4CF3, and CF3. The complexes are compared to Cp2Ti(C2Ph)2, which lacks the second metal. Cyclic voltammetry for all complexes reveals a reversible Ti(IV/III) reduction wave and an Fe(II/III) oxidation that is irreversible for all complexes except (TMS)Cp2Ti(C2Fc)(C2CF3). All of the complexes with both Fc and Ti show an intense absorption (4000 M(-1)cm(-1) < ε < 8000 M(-1)cm(-1)) between 540 and 630 nm that is absent in complexes lacking a ferrocene donor. The energy of the absorption tracks with the difference between the Ti(IV/III) and Fe(III/II) reduction potentials, shifting to lower energy as the difference in potentials decreases. Reorganization energies, λ, have been determined using band shape analysis (2600 cm(-1) < λ < 5300 cm(-1)) and are in the range observed for other donor-acceptor complexes that have a ferrocene donor. Marcus-Hush-type analysis of the electrochemical and spectroscopic data are consistent with the assignment of the low-energy absorption as a MMCT band. TD-DFT analysis also supports this assignment. Solvatochromism is apparent for the MMCT band of all complexes, there being a bathochromic shift upon increasing polarizability of the solvent. The magnitude of the shift is dependent on both the electron density at Ti(IV

  8. 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.

  9. Therapeutic Enactment: Integrating Individual and Group Counseling Models for Change

    ERIC Educational Resources Information Center

    Westwood, Marvin J.; Keats, Patrice A.; Wilensky, Patricia

    2003-01-01

    The purpose of this article is to introduce the reader to a group-based therapy model known as therapeutic enactment. A description of this multimodal change model is provided by outlining the relevant background information, key concepts related to specific change processes, and the differences in this model compared to earlier psychodrama…

  10. 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.

  11. 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. PMID:25855308

  12. 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…

  13. Growing network model for community with group structure.

    PubMed

    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. PMID:15903517

  14. The Canon Group's effort: working toward a merged model.

    PubMed Central

    Friedman, C; Huff, S M; Hersh, W R; Pattison-Gordon, E; Cimino, J J

    1995-01-01

    OBJECTIVE: To develop a representational schema for clinical data for use in exchanging data and applications, using a collaborative approach. DESIGN: Representational models for clinical radiology were independently developed manually by several Canon Group members who had diverse application interests, using sample reports. These models were merged into one common model through an iterative process by means of workshops, meetings, and electronic mail. RESULTS: A core merged model for radiologic findings present in a set of reports that subsumed the models that were developed independently. CONCLUSIONS: The Canon Group's modeling effort focused on a collaborative approach to developing a representational schema for clinical concepts, using chest radiography reports as the initial experiment. This effort resulted in a core model that represents a consensus. Further efforts in modeling will extend the representational coverage and will also address issues such as scalability, automation, evaluation, and support of the collaborative effort. PMID:7895135

  15. 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.

  16. 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…

  17. Deciphering the Crowd: Modeling and Identification of Pedestrian Group Motion

    PubMed Central

    Yücel, Zeynep; Zanlungo, Francesco; Ikeda, Tetsushi; Miyashita, Takahiro; Hagita, Norihiro

    2013-01-01

    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. PMID:23344382

  18. A conceptual model for short-term inpatient group psychotherapy.

    PubMed

    Kibel, H D

    1981-01-01

    The author reviews the history of the literature on inpatient group psychotherapy. Key observations of early workers--the central role of the group leader, the experiential benefits of the group, and the relationship to the milieu--have not resulted in wide application of this form of therapy because of limitations of previous conceptual models. The model presented draws on concepts of general systems and object relations theory. General systems theory explains how the small therapy group symbolically reflects the dynamic process of the psychiatric unit. Object relations theory provides a unique understanding of the central regulatory function of the therapist and the beneficial effects of the group. The author provides clinical illustrations of these points. PMID:7446787

  19. Coarse-grained dynamics of alignment in animal group models

    NASA Astrophysics Data System (ADS)

    Moon, Sung Joon; Levin, Simon; Kevrekidis, Yannis

    2006-03-01

    Coordinated motion in animal groups, such as bird flocks and fish schools, and their models gives rise to remarkable coherent structures. Using equation-free computational tools we explore the coarse-grained dynamics of a model for the orientational movement decision in animal groups, consisting of a small number of informed "leaders" and a large number of uninformed, nonidentical ``followers.'' The direction in which each group member is headed is characterized by a phase angle of a limit-cycle oscillator, whose dynamics are nonlinearly coupled with those of all the other group members. We identify a small number of proper coarse-grained variables (using uncertainty quantification methods) that describe the collective dynamics, and perform coarse projective integration and equation-free bifurcation analysis of the coarse-grained model behavior in these variables.

  20. Modelling group navigation: transitive social structures improve navigational performance

    PubMed Central

    Flack, Andrea; Biro, Dora; Guilford, Tim; Freeman, Robin

    2015-01-01

    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. PMID:26063820

  1. Modelling group navigation: transitive social structures improve navigational performance.

    PubMed

    Flack, Andrea; Biro, Dora; Guilford, Tim; Freeman, Robin

    2015-07-01

    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. PMID:26063820

  2. Functional renormalization group approach for tensorial group field theory: a rank-6 model with closure constraint

    NASA Astrophysics Data System (ADS)

    Benedetti, Dario; Lahoche, Vincent

    2016-05-01

    We develop the functional renormalization group formalism for a tensorial group field theory with closure constraint, in the case of a just renormalizable model over U{(1)}\\otimes 6, with quartic interactions. The method allows us to obtain a closed but non-autonomous system of differential equations which describe the renormalization group flow of the couplings beyond perturbation theory. The explicit dependence of the beta functions on the running scale is due to the existence of an external scale in the model, the radius of {S}1≃ U(1). We study the occurrence of fixed points and their critical properties in two different approximate regimes, corresponding to the deep UV and deep IR. Besides confirming the asymptotic freedom of the model, we find also a non-trivial fixed point, with one relevant direction. Our results are qualitatively similar to those found previously for a rank-3 model without closure constraint, and it is thus tempting to speculate that the presence of a Wilson-Fisher-like fixed point is a general feature of asymptotically free tensorial group field theories.

  3. 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…

  4. 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.

  5. 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…

  6. 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…

  7. A Creative Therapies Model for the Group Supervision of Counsellors.

    ERIC Educational Resources Information Center

    Wilkins, Paul

    1995-01-01

    Sets forth a model of group supervision, drawing on a creative therapies approach which provides an effective way of delivering process issues, conceptualization issues, and personalization issues. The model makes particular use of techniques drawn from art therapy and from psychodrama, and should be applicable to therapists of many orientations.…

  8. 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…

  9. 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... Tribal IV-D System? 310.10 Section 310.10 Public Welfare Regulations Relating to Public Welfare OFFICE...

  10. 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... Tribal IV-D System? 310.10 Section 310.10 Public Welfare Regulations Relating to Public Welfare OFFICE...

  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... Tribal IV-D System? 310.10 Section 310.10 Public Welfare Regulations Relating to Public Welfare OFFICE...

  12. 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

  13. 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.

  14. 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 ...

  15. 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…

  16. 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. PMID:26569570

  17. 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

  18. 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

  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. 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.

  1. MAGGIE: Models and Algorithms for Galaxy Groups, Interlopers and Environment

    NASA Astrophysics Data System (ADS)

    Duarte, Manuel; Mamon, Gary A.

    2015-11-01

    Combining our knowledge of halo structure and internal kinematics from cosmological dark matter simulations and the distribution of halo interlopers in projected phase space measured in cosmological galaxy simulations, we develop MAGGIE, a prior- and halo-based, probabilistic, abundance matching (AM) grouping algorithm for doubly complete subsamples (in distance and luminosity) of flux-limited samples. We test MAGGIE-L and MAGGIE-M (in which group masses are derived from AM applied to the group luminosities and stellar masses, respectively) on groups of at least three galaxies extracted from a mock Sloan Digital Sky Survey Legacy redshift survey, incorporating realistic observational errors on galaxy luminosities and stellar masses. In comparison with the optimal Friends-of-Friends (FoF) group finder, groups extracted with MAGGIE are much less likely to be secondary fragments of true groups; in primary fragments, its galaxy memberships (relative to the virial sphere of the real-space group) are much more complete and usually more reliable, and its masses are much less biased and usually with less scatter, as are its group luminosities and stellar masses (computed in MAGGIE using the membership probabilities as weights). FoF outperforms MAGGIE only for high-mass clusters: for the reliability of the galaxy population and the dispersion of its total mass. In comparison with our implementation of the Yang et al. group finder, MAGGIE reaches much higher completeness and slightly lower group fragmentation and dispersion on group total masses, luminosities and stellar masses, but slightly greater bias in the latter two and lower reliabilities. MAGGIE should therefore lead to sharper trends of environmental effects on galaxies and more accurate mass-orbit modelling.

  2. 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. PMID:25711468

  3. 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. PMID:11066683

  4. A Three-dimensional Homology Model of Lipid-free Apolipoprotein A-IV Using Cross-linking and Mass Spectrometry*

    PubMed Central

    Tubb, Matthew R.; Silva, R. A. Gangani D.; Fang, Jianwen; Tso, Patrick; Davidson, W. Sean

    2008-01-01

    Human apolipoprotein A-IV (apoA-IV) is a 46-kDa exchangeable plasma protein with many proposed functions. It is involved in chylomicron assembly and secretion, protection from atherosclerosis through a variety of mechanisms, and inhibition of food intake. There is little structural basis for these proposed functions due to the lack of a solved three-dimensional structure of the protein by x-ray crystallography or NMR. Based on previous studies, we hypothesized that lipid-free apoA-IV exists in a helical bundle, like other apolipoprotein family members and that regions near the N and C termini may interact. Utilizing a homobifunctional lysine cross-linking agent, we identified 21 intramolecular cross-links by mass spectrometry. These cross-links were used to constrain the building of a sequence threaded homology model using the I-TASSER server. Our results indicate that lipid-free apoA-IV does indeed exist as a complex helical bundle with the N and C termini in close proximity. This first structural model of lipid-free apoA-IV should prove useful for designing studies aimed at understanding how apoA-IV interacts with lipids and possibly with unknown protein partners. PMID:18430727

  5. Impaired myelination and reduced brain ferric iron in the mouse model of mucolipidosis IV

    PubMed Central

    Grishchuk, Yulia; Peña, Karina A.; Coblentz, Jessica; King, Victoria E.; Humphrey, Daniel M.; Wang, Shirley L.; Kiselyov, Kirill I.; Slaugenhaupt, Susan A.

    2015-01-01

    ABSTRACT Mucolipidosis type IV (MLIV) is a lysosomal storage disease caused by mutations in the MCOLN1 gene, which encodes the lysosomal transient receptor potential ion channel mucolipin-1 (TRPML1). MLIV causes impaired motor and cognitive development, progressive loss of vision and gastric achlorhydria. How loss of TRPML1 leads to severe psychomotor retardation is currently unknown, and there is no therapy for MLIV. White matter abnormalities and a hypoplastic corpus callosum are the major hallmarks of MLIV brain pathology. Here, we report that loss of TRPML1 in mice results in developmental aberrations of brain myelination as a result of deficient maturation and loss of oligodendrocytes. Defective myelination is evident in Mcoln1−/− mice at postnatal day 10, an active stage of postnatal myelination in the mouse brain. Expression of mature oligodendrocyte markers is reduced in Mcoln1−/− mice at postnatal day 10 and remains lower throughout the course of the disease. We observed reduced Perls' staining in Mcoln1−/− brain, indicating lower levels of ferric iron. Total iron content in unperfused brain is not significantly different between Mcoln1−/− and wild-type littermate mice, suggesting that the observed maturation delay or loss of oligodendrocytes might be caused by impaired iron handling, rather than by global iron deficiency. Overall, these data emphasize a developmental rather than a degenerative disease course in MLIV, and suggest that there should be a stronger focus on oligodendrocyte maturation and survival to better understand MLIV pathogenesis and aid treatment development. PMID:26398942

  6. Tensor renormalization group analysis of CP (N -1 ) model

    NASA Astrophysics Data System (ADS)

    Kawauchi, Hikaru; Takeda, Shinji

    2016-06-01

    We apply the higher-order tensor renormalization group to the lattice CP (N -1 ) model in two dimensions. A tensor network representation of the CP (N -1 ) model in the presence of the θ term is derived. We confirm that the numerical results of the CP(1) model without the θ term using this method are consistent with that of the O(3) model which is analyzed by the same method in the region β ≫1 and that obtained by the Monte Carlo simulation in a wider range of β . The numerical computation including the θ term is left for future challenges.

  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. PMID:23539439

  9. 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

  10. Freight Network Modeling System. Volume IV. Shortest-Path Analysis and Display user's guide

    SciTech Connect

    Not Available

    1985-04-01

    The Freight Network Modeling System (FNEM) is a general and flexible modeling system designed to have wide applicability to a variety of freight transportation analyses. The system consists of compatible network data bases, data management software, models of freight transportation, report generators, and graphics output. In many studies, a model as comprehensive as FNEM is not required. The second model, Shortest-Path Analysis and Display (SPAD), is a simpler model that optimizes routings of single shipments. The routing criteria that can be used are numerous - including minimizing cost, minimizing delay, minimizing population exposure (useful when considering shipments of hazardous materials), and minimizing accident risk. In addition to the above criteria, the routes can also be restricted to those with clearance for oversized loads or with sufficient load capabilities. SPAD can be used interactively and the routes can be displayed graphically. This volume contains a user's guide for SPAD including preprocessor programs and SPAD execution. 7 figs., 19 tabs.

  11. Reinforced communication and social navigation generate groups in model networks.

    PubMed

    Rosvall, M; Sneppen, K

    2009-02-01

    To investigate the role of information flow in group formation, we introduce a model of communication and social navigation. We let agents gather information in an idealized network society and demonstrate that heterogeneous groups can evolve without presuming that individuals have different interests. In our scenario, individuals' access to global information is constrained by local communication with the nearest neighbors on a dynamic network. The result is reinforced interests among like-minded agents in modular networks; the flow of information works as a glue that keeps individuals together. The model explains group formation in terms of limited information access and highlights global broadcasting of information as a way to counterbalance this fragmentation. To illustrate how the information constraints imposed by the communication structure affects future development of real-world systems, we extrapolate dynamics from the topology of four social networks. PMID:19391810

  12. 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…

  13. 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…

  14. Stochastic analysis of the extra clustering model for animal grouping.

    PubMed

    Drmota, Michael; Fuchs, Michael; Lee, Yi-Wen

    2016-07-01

    We consider the extra clustering model which was introduced by Durand et al. (J Theor Biol 249(2):262-270, 2007) in order to describe the grouping of social animals and to test whether genetic relatedness is the main driving force behind the group formation process. Durand and François (J Math Biol 60(3):451-468, 2010) provided a first stochastic analysis of this model by deriving (amongst other things) asymptotic expansions for the mean value of the number of groups. In this paper, we will give a much finer analysis of the number of groups. More precisely, we will derive asymptotic expansions for all higher moments and give a complete characterization of the possible limit laws. In the most interesting case (neutral model), we will prove a central limit theorem with a surprising normalization. In the remaining cases, the limit law will be either a mixture of a discrete and continuous law or a discrete law. Our results show that, except of in degenerate cases, strong concentration around the mean value takes place only for the neutral model, whereas in the remaining cases there is also mass concentration away from the mean. PMID:26520857

  15. 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.

  16. Model Checking Verification and Validation at JPL and the NASA Fairmont IV and V Facility

    NASA Technical Reports Server (NTRS)

    Schneider, Frank; Easterbrook, Steve; Callahan, Jack; Montgomery, Todd

    1999-01-01

    We show how a technology transfer effort was carried out. The successful use of model checking on a pilot JPL flight project demonstrates the usefulness and the efficacy of the approach. The pilot project was used to model a complex spacecraft controller. Software design and implementation validation were carried out successfully. To suggest future applications we also show how the implementation validation step can be automated. The effort was followed by the formal introduction of the modeling technique as a part of the JPL Quality Assurance process.

  17. 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.

  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. 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

  20. 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

  1. Obstacle avoidance in social groups: new insights from asynchronous models.

    PubMed

    Croft, Simon; Budgey, Richard; Pitchford, Jonathan W; Wood, A Jamie

    2015-05-01

    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

  2. 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.

  3. 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…

  4. 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

  5. A Simplified Technique for Scoring DSM-IV Personality Disorders with the Five-Factor Model

    ERIC Educational Resources Information Center

    Miller, Joshua D.; Bagby, R. Michael; Pilkonis, Paul A.; Reynolds, Sarah K.; Lynam, Donald R.

    2005-01-01

    The current study compares the use of two alternative methodologies for using the Five-Factor Model (FFM) to assess personality disorders (PDs). Across two clinical samples, a technique using the simple sum of selected FFM facets is compared with a previously used prototype matching technique. The results demonstrate that the more easily…

  6. 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.

  7. Group association test using a hidden Markov model.

    PubMed

    Cheng, Yichen; Dai, James Y; Kooperberg, Charles

    2016-04-01

    In the genomic era, group association tests are of great interest. Due to the overwhelming number of individual genomic features, the power of testing for association of a single genomic feature at a time is often very small, as are the effect sizes for most features. Many methods have been proposed to test association of a trait with a group of features within a functional unit as a whole, e.g. all SNPs in a gene, yet few of these methods account for the fact that generally a substantial proportion of the features are not associated with the trait. In this paper, we propose to model the association for each feature in the group as a mixture of features with no association and features with non-zero associations to explicitly account for the possibility that a fraction of features may not be associated with the trait while other features in the group are. The feature-level associations are first estimated by generalized linear models; the sequence of these estimated associations is then modeled by a hidden Markov chain. To test for global association, we develop a modified likelihood ratio test based on a log-likelihood function that ignores higher order dependency plus a penalty term. We derive the asymptotic distribution of the likelihood ratio test under the null hypothesis. Furthermore, we obtain the posterior probability of association for each feature, which provides evidence of feature-level association and is useful for potential follow-up studies. In simulations and data application, we show that our proposed method performs well when compared with existing group association tests especially when there are only few features associated with the outcome. PMID:26420797

  8. 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

  9. Stochastic group selection model for the evolution of altruism

    NASA Astrophysics Data System (ADS)

    Silva, Ana T. C.; Fontanari, J. F.

    We study numerically and analytically a stochastic group selection model in which a population of asexually reproducing individuals, each of which can be either altruist or non-altruist, is subdivided into M reproductively isolated groups (demes) of size N. The cost associated with being altruistic is modelled by assigning the fitness 1- τ, with τ∈[0,1], to the altruists and the fitness 1 to the non-altruists. In the case that the altruistic disadvantage τ is not too large, we show that the finite M fluctuations are small and practically do not alter the deterministic results obtained for M→∞. However, for large τ these fluctuations greatly increase the instability of the altruistic demes to mutations. These results may be relevant to the dynamics of parasite-host systems and, in particular, to explain the importance of mutation in the evolution of parasite virulence.

  10. 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. PMID:26689771

  11. 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.

  12. Development of Polarizable Models for Molecular Mechanical Calculations IV: van der Waals parameterization

    PubMed Central

    Wang, Junmei; Cieplak, Piotr; Li, Jie; Cai, Qin; Hsieh, MengJuei; Luo, Ray; Duan, Yong

    2012-01-01

    In the previous publications of this series, we presented a set of Thole induced dipole interaction models using four types of screening functions. In this work, we document our effort to refine the van der Waals parameters for the Thole polarizable models. Following the philosophy of AMBER force field development, the van der Waals (vdW) parameters were tuned for the Thole model with linear screening function to reproduce both the ab initio interaction energies and the experimental densities of pure liquids. An in-house genetic algorithm was applied to maximize the fitness of “chromosomes” which is a function of the root-mean-square errors (RMSE) of interaction energy and liquid density. To efficiently explore the vdW parameter space, a novel approach was developed to estimate the liquid densities for a given vdW parameter set using the mean residue-residue interaction energies through interpolation/extrapolation. This approach allowed the costly molecular dynamics simulations be performed at the end of each optimization cycle only and eliminated the simulations during the cycle. Test results show notable improvements over the original AMBER FF99 vdW parameter set as indicated by the reduction in errors of the calculated pure liquid density (d), heat of vaporization (Hvap) and hydration energy. The average percent error (APE) of the densities of 59 pure liquids was reduced from 5.33% to 2.97%; the RMSE of Hvap was reduced from 1.98 kcal/mol to 1.38 kcal/mol; the RMSE of solvation free energies of 15 compounds was reduced from 1.56 kcal/mol to 1.38 kcal/mol. For the interaction energies of 1639 dimers, the overall performance of the optimized vdW set is slightly better than the original FF99 vdW set (RMSE of 1.56 versus 1.63 kcal/mol). The optimized vdW parameter set was also evaluated for the exponential screening function used in the Amoeba force field to assess its applicability for different types of screening functions. Encouragingly, comparable

  13. Managing for change. Models and questions for group practice leaders.

    PubMed

    Talbot, J F

    1999-01-01

    The health care environment continues to be characterized by rapid change and unpredictability. Perhaps the only constant is change itself. Managing successfully in this environment demands an increasing level of sophistication. In a rapidly changing environment, the manager must provide focus and direction and at the same time stay flexible so that the organization can quickly adjust to environmental demands. This article describes models for successful change management, followed by questions for the leader in a group practice. PMID:10662464

  14. 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.

  15. Discovering associations among diagnosis groups using topic modeling.

    PubMed

    Li, Ding Cheng; Thermeau, Terry; Chute, Christopher; Liu, Hongfang

    2014-01-01

    With the rapid growth of electronic medical records (EMR), there is an increasing need of automatically extract patterns or rules from EMR data with machine learning and data mining technqiues. In this work, we applied unsupervised statistical model, latent Dirichlet allocations (LDA), to cluster patient diagnoics groups from Rochester Epidemiology Projects (REP). The initial results show that LDA holds the potential for broad application in epidemiogloy as well as other biomedical studies due to its unsupervised nature and great interpretive power. PMID:25954576

  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. 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.

  18. Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides

    SciTech Connect

    Bagus, Paul S.; Nelin, Constance J.; Ilton, Eugene S.

    2013-12-28

    X-ray photoelectron spectroscopy (XPS), and in particular the U4f level, has been widely used to elucidate the chemical state of uranium in various materials. In large part, previous experimental work has relied on comparing the U4f spectra of an unknown to some “standard” or using qualitative intuitive judgments on the expected behavior of the primary lines and satellite structures as a function of oxidation state and bonding environment. Such approaches are useful and can be sufficiently robust to make defensible claims. Nonetheless, there is no quantitative understanding of the chemistry and physics that control satellite structures or even the shape of the primary peaks. To address this issue, we used a rigorous, strictly ab initio theoretical approach to investigate the U(4f) XPS of U oxides with formal U(VI) and U(IV) oxidation states. Our theoretical studies are based on the electronic structures of embedded cluster models, where bonding between U and O is explicitly incorporated. We demonstrate that treatment of the many-body character of the cluster wavefunctions is essential to correctly model and interpret the U4f XPS. Here we definitively show that shake configurations, where an electron is transferred from a dominantly O2p bonding orbital into dominantly 5f or 6d antibonding orbitals, are indeed responsible for the major satellite features. Based on this rigorous theoretical framework, it is possible to establish quantitative relationships between features of the XPS spectra and the chemistry of the material.

  19. 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.

  20. Photoregulation of Biological Activity by Photochromic Reagents, IV. A Model for Diurnal Variation of Enzymic Activity*

    PubMed Central

    Bieth, Joseph; Wassermann, Norbert; Vratsanos, Spyros M.; Erlanger, Bernard F.

    1970-01-01

    Levels of acetylcholinesterase activity can be made to vary in response to the presence or absence of sunlight in a system that can be considered as a model for photoperiodic processes found in nature. The enzyme is rendered photosensitive by the presence of a photochromic inhibitor, N-p-phenylazophenylcarbamyl choline, which changes from a trans to a cis isomer under the influence of the light of the sun and reverts back to the trans isomer in the dark. The two isomers differ in their ability acetylcholinesterase, thus rendering the enzyme system responsive to sunlight. The relationship of this system to photoresponsive processes in nature is discussed, and a possible role in photoregulation is suggested for naturally occurring carotenoids. PMID:5269248

  1. 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

  2. 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…

  3. Histopathological Studies on Virulence of Dipeptidyl Aminopeptidase IV (DPPIV) of Porphyromonas gingivalis in a Mouse Abscess Model: Use of a DPPIV-Deficient Mutant

    PubMed Central

    Yagishita, Hisao; Kumagai, Yumi; Konishi, Kiyoshi; Takahashi, Yukihiro; Aoba, Takaaki; Yoshikawa, Masanosuke

    2001-01-01

    To elucidate the role of dipeptidyl aminopeptidase IV (DPPIV) in the virulence of Porphyromonas gingivalis, mice were infected with either a wild-type strain or a DPPIV-deficient mutant using an abscess model. Histopathological analysis of the resulting lesions indicated that DPPIV participates in virulence through the destruction of connective tissue and the less effective mobilization of inflammatory cells. PMID:11598093

  4. 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…

  5. 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.

  6. Tensor renormalization group approach to classical dimer models

    NASA Astrophysics Data System (ADS)

    Roychowdhury, Krishanu; Huang, Ching-Yu

    2015-05-01

    We analyze classical dimer models on a square and a triangular lattice using a tensor network representation of the dimers. The correlation functions are numerically calculated using the recently developed "tensor renormalization group" (TRG) technique. The partition function for the dimer problem can be calculated exactly by the Pfaffian method, which is used here as a platform for comparing the numerical results. The TRG approach turns out to be a powerful tool for describing gapped systems with exponentially decaying correlations very efficiently due to its fast convergence. This is the case for the dimer model on the triangular lattice. However, the convergence becomes very slow and unstable in the case of the square lattice where the model has algebraically decaying correlations. We highlight these aspects with numerical simulations and critically appraise the robustness of the TRG approach by contrasting the results for small and large system sizes against the exact calculations. Furthermore, we benchmark our TRG results with the classical Monte Carlo method.

  7. 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

    2011-03-31

    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

  8. 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

  9. 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…

  10. 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

  11. European bioclimatic affinity groups: Data-model comparisons

    NASA Astrophysics Data System (ADS)

    Laurent, J.-M.; François, L.; Bar-Hen, A.; Bel, L.; Cheddadi, R.

    2008-03-01

    Global vegetation models are remarkably effective when considering large areas such as Europe. However, their accuracy at finer scales remains to be tested. In this paper, we validate the simulation of modern potential vegetation by the CARbon Assimilation In the Biosphere (CARAIB) model in Europe. Then, in order to evaluate the simulation of tree group distributions at a finer scale, in France, we present a comparison between observed distributions, distributions reconstructed from palynological data, and model simulated ranges. The results will help to validate past vegetation simulations. For this analysis, we use Bioclimatic Affinity Groups (BAGs), based on vegetation groups' climatic tolerances and requirements. The CARAIB model was adapted to simulate the net primary productivity (NPP), biomass and range of the arboreal BAGs. In Europe, at a 30' latitude/longitude grid scale, simulated NPP of BAGs are used to define classes of vegetation as being present or absent, with a classification rule, based on Kappa statistics. In France, at a 10' lat./long. scale, a second discriminant analysis, based on Classification And Regression Tree (CART), allows for a similar classification with BAG pollen percentages. At each palynological sampling site, we then compared the simulation to the reconstruction from pollen data. With 30' lat./long. resolution, most thresholds that discriminate NPP into absence or presence classes are low, ranging from 1 to 77 g/m 2. Agreement indices between observed and simulated distributions range from 0.4 to 0.83, with broad scale BAG potential patterns and boundaries being accurately simulated by CARAIB. In France, on the 10' lat./long. scale, pollen percentages correctly account for BAG presence/absence despite non-linear pollen-vegetation relationships. Agreement ratios between observed and reconstructed patterns range from 0.53 to 0.95. At the 10' lat./long. scale, the validation of simulated ranges with pollen data is reliable for 9 of

  12. One decade of the Data Fusion Information Group (DFIG) model

    NASA Astrophysics Data System (ADS)

    Blasch, Erik

    2015-05-01

    The revision of the Joint Directors of the Laboratories (JDL) Information Fusion model in 2004 discussed information processing, incorporated the analyst, and was coined the Data Fusion Information Group (DFIG) model. Since that time, developments in information technology (e.g., cloud computing, applications, and multimedia) have altered the role of the analyst. Data production has outpaced the analyst; however the analyst still has the role of data refinement and information reporting. In this paper, we highlight three examples being addressed by the DFIG model. One example is the role of the analyst to provide semantic queries (through an ontology) so that vast amount of data available can be indexed, accessed, retrieved, and processed. The second idea is reporting which requires the analyst to collect the data into a condensed and meaningful form through information management. The last example is the interpretation of the resolved information from data that must include contextual information not inherent in the data itself. Through a literature review, the DFIG developments in the last decade demonstrate the usability of the DFIG model to bring together the user (analyst or operator) and the machine (information fusion or manager) in a systems design.

  13. A model of time-effective group psychotherapy for patients with personality disorders: the clinical model.

    PubMed

    Budman, S H; Cooley, S; Demby, A; Koppenaal, G; Koslof, J; Powers, T

    1996-07-01

    This article describes a model of time-limited psychotherapy for patients with personality disorders that emphasizes the group as a social microcosm. The patient population described is relatively high functioning, although the majority of the group members meet DSM-III-R (American Psychiatric Association, 1987) criteria for an Axis II diagnosis. The clinical model's key theoretical concepts, for example, interpersonal focus; active therapist stance; emphasis on group interaction and processes; use of time limits; primary care/intermittent treatment philosophy; and emphasis on patients' strengths, goals, and resources are described. The relationships between the phases of group therapy and the key theoretical concepts are delineated. PMID:8753151

  14. 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

  15. 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

  16. Synthesis of tyrosine-involved corrole Cu(III), Mn(IV), and Mn(III) complexes as biomimetic models of oxygen evolving complex in photosystem II

    NASA Astrophysics Data System (ADS)

    Xia, M.; Gao, Y.

    2014-12-01

    Boc-protected tyrosine-attached corrole ligand on the " ortho" position compound 3, its corresponding copper (III) 4a, manganese (IV) 4b, and manganese (III) 4c complexes have been designed and synthesized based on the structures of active-centers of related biological systems. 1H NMR and electronic absorption spectra of these metal complexes are investigated. The crystal structure of 4a displays the relative position of TyrOH unit to the high valent metal center. Electrochemistry investigations display the possibilities of intramolecular electron or energy transfer between TyrOH group and metal corrole group.

  17. A maximum entropy model for opinions in social groups

    NASA Astrophysics Data System (ADS)

    Davis, Sergio; Navarrete, Yasmín; Gutiérrez, Gonzalo

    2014-04-01

    We study how the opinions of a group of individuals determine their spatial distribution and connectivity, through an agent-based model. The interaction between agents is described by a Hamiltonian in which agents are allowed to move freely without an underlying lattice (the average network topology connecting them is determined from the parameters). This kind of model was derived using maximum entropy statistical inference under fixed expectation values of certain probabilities that (we propose) are relevant to social organization. Control parameters emerge as Lagrange multipliers of the maximum entropy problem, and they can be associated with the level of consequence between the personal beliefs and external opinions, and the tendency to socialize with peers of similar or opposing views. These parameters define a phase diagram for the social system, which we studied using Monte Carlo Metropolis simulations. Our model presents both first and second-order phase transitions, depending on the ratio between the internal consequence and the interaction with others. We have found a critical value for the level of internal consequence, below which the personal beliefs of the agents seem to be irrelevant.

  18. Sensitivity in forward modeled hyperspectral reflectance due to phytoplankton groups

    NASA Astrophysics Data System (ADS)

    Manzo, Ciro; Bassani, Cristiana; Pinardi, Monica; Giardino, Claudia; Bresciani, Mariano

    2016-04-01

    Phytoplankton is an integral part of the ecosystem, affecting trophic dynamics, nutrient cycling, habitat condition, and fisheries resources. The types of phytoplankton and their concentrations are used to describe the status of water and the processes inside of this. This study investigates bio-optical modeling of phytoplankton functional types (PFT) in terms of pigment composition demonstrating the capability of remote sensing to recognize freshwater phytoplankton. In particular, a sensitivity analysis of simulated hyperspectral water reflectance (with band setting of HICO, APEX, EnMAP, PRISMA and Sentinel-3) of productive eutrophic waters of Mantua lakes (Italy) environment is presented. The bio-optical model adopted for simulating the hyperspectral water reflectance takes into account the reflectance dependency on geometric conditions of light field, on inherent optical properties (backscattering and absorption coefficients) and on concentrations of water quality parameters (WQPs). The model works in the 400-750nm wavelength range, while the model parametrization is based on a comprehensive dataset of WQP concentrations and specific inherent optical properties of the study area, collected in field surveys carried out from May to September of 2011 and 2014. The following phytoplankton groups, with their specific absorption coefficients, a*Φi(λ), were used during the simulation: Chlorophyta, Cyanobacteria with phycocyanin, Cyanobacteria and Cryptophytes with phycoerythrin, Diatoms with carotenoids and mixed phytoplankton. The phytoplankton absorption coefficient aΦ(λ) is modelled by multiplying the weighted sum of the PFTs, Σpia*Φi(λ), with the chlorophyll-a concentration (Chl-a). To highlight the variability of water reflectance due to variation of phytoplankton pigments, the sensitivity analysis was performed by keeping constant the WQPs (i.e., Chl-a=80mg/l, total suspended matter=12.58g/l and yellow substances=0.27m-1). The sensitivity analysis was

  19. 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

  20. Polymer-bound oxidovanadium(IV) and dioxidovanadium(V) complexes as catalysts for the oxidative desulfurization of model fuel diesel.

    PubMed

    Maurya, Mannar R; Arya, Aarti; Kumar, Amit; Kuznetsov, Maxim L; Avecilla, Fernando; Costa Pessoa, João

    2010-07-19

    The Schiff base (Hfsal-dmen) derived from 3-formylsalicylic acid and N,N-dimethyl ethylenediamine has been covalently bonded to chloromethylated polystyrene to give the polymer-bound ligand, PS-Hfsal-dmen (I). Treatment of PS-Hfsal-dmen with [V(IV)O(acac)(2)] in the presence of MeOH gave the oxidovanadium(IV) complex PS-[V(IV)O(fsal-dmen)(MeO)] (1). On aerial oxidation in methanol, complex 1 was oxidized to PS-[V(V)O(2)(fsal-dmen)] (2). The corresponding neat complexes, [V(IV)O(sal-dmen)(acac)] (3) and [V(V)O(2)(sal-dmen)] (4) were similarly prepared. All these complexes are characterized by various spectroscopic techniques (IR, electronic, NMR, and electron paramagnetic resonance (EPR)) and thermal as well as field-emission scanning electron micrographs (FE-SEM) studies, and the molecular structures of 3 and 4 were determined by single crystal X-ray diffraction. The EPR spectrum of the polymer supported V(IV)O-complex 1 is characteristic of magnetically diluted V(IV)O-complexes, the resolved EPR pattern indicating that the V(IV)O-centers are well dispersed in the polymer matrix. A good (51)V NMR spectrum could also be measured with 4 suspended in dimethyl sulfoxide (DMSO), the chemical shift (-503 ppm) being compatible with a VO(2)(+)-center and a N,O binding set. The catalytic oxidative desulfurization of organosulfur compounds thiophene, dibenzothiophene, benzothiophene, and 2-methyl thiophene (model of fuel diesel) was carried out using complexes 1 and 2. The sulfur in model organosulfur compounds oxidizes to the corresponding sulfone in the presence of H(2)O(2). The systems 1 and 2 do not loose efficiency for sulfoxidation at least up to the third cycle of reaction, this indicating that they preserve their integrity under the conditions used. Plausible intermediates involved in these catalytic processes are established by UV-vis, EPR, (51)V NMR, and density functional theory (DFT) studies, and an outline of the mechanism is proposed. The (51)V NMR spectra

  1. The numerical renormalization group and multi-orbital impurity models

    NASA Astrophysics Data System (ADS)

    Weichselbaum, Andreas; Stadler, K. M.; von Delft, J.; Yin, Z. P.; Kotliar, G.; Mitchell, Andrew

    The numerical renormalization group (NRG) is a highly versatile and accurate method for the simulation of (effective) fermionic impurity models. Despite that the cost of NRG is exponential in the number of orbitals, by now, symmetric three-band calculations have become available on a routine level. Here we present a recent detailed study on the spin-orbital separation in a three-band Hund metal with relevance for iron-pnictides via the dynamical mean field theory (DMFT). In cases, finally, where the orbital symmetry is broken, we demonstrate that interleaved NRG still offers an accurate alternative approach within the NRG with dramatically improved numerical efficiency at comparable accuracy relative to conventional NRG.

  2. Adsorption of thorium(IV) from simulated radioactive solutions using a novel electrospun PVA/TiO2/ZnO nanofiber adsorbent functionalized with mercapto groups: Study in single and multi-component systems

    NASA Astrophysics Data System (ADS)

    Alipour, Dariush; Keshtkar, Ali Reza; Moosavian, Mohammad Ali

    2016-03-01

    The novel polyvinyl alcohol/titanium oxide/zinc oxide (PVA/TiO2/ZnO) nanofiber adsorbent functionalized with 3-mercaptopropyltrimethoxysilane (TMPTMS) was prepared by electrospinning method and its potential was investigated for the adsorption of thorium from single and multi-metal aqueous solutions. The prepared adsorbent was characterized by FTIR, SEM and BET analysis. The influences of different operational parameters such as pH, ionic strength, equilibrium time, initial concentration and temperature were studied in batch mode. Investigation of ionic strength effect showed that the addition of NaNO3 to metal solution has a slight effect on the thorium adsorption, whereas pH value has a serious effect on the thorium adsorption at pH values lower than 4. The double-exponential model described the adsorption of Th(IV) ions much better than other kinetic models within both the single and multi-component systems. Among various isotherm models used, the equilibrium data of Th(IV) conformed the Langmuir isotherm in the single system, while those were best fitted by Dubinin-Radushkevich (D-R) isotherm in multi-component system. Thermodynamic parameters such as ΔH°, ΔS°, and ΔG° indicated that the nature of adsorption process was spontaneous, endothermic and thermodynamically favored. The inhibitory effect of other metal ions on the adsorption capacity of Th(IV) was in order of Al(III) > Cu(II) > Cd(II) > Ni(II) > U(VI) > Fe(II).

  3. 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

  4. Working Group Reports: Working Group 1 - Software Systems Design and Implementation for Environmental Modeling

    EPA Science Inventory

    The purpose of the Interagency Steering Committee on Multimedia Environmental Modeling (ISCMEM) is to foster the exchange of information about environmental modeling tools, modeling frameworks, and environmental monitoring databases that are all in the public domain. It is compos...

  5. A Model Psychoeducational Group for Survivors of Organizational Downsizing.

    ERIC Educational Resources Information Center

    Foley, Pamela F.; Smith, John E.

    1999-01-01

    Describes a one-day psychoeducational group for survivors of a recent organizational downsizing. Principal goal of the group is to prevent "Layoff Survivor Syndrome" through instruction and group exercises designed to normalize common responses and increase awareness of positive coping strategies. Provides descriptions of group structure,…

  6. Modeling phytoplankton community in reservoirs. A comparison between taxonomic and functional groups-based models.

    PubMed

    Di Maggio, Jimena; Fernández, Carolina; Parodi, Elisa R; Diaz, M Soledad; Estrada, Vanina

    2016-01-01

    In this paper we address the formulation of two mechanistic water quality models that differ in the way the phytoplankton community is described. We carry out parameter estimation subject to differential-algebraic constraints and validation for each model and comparison between models performance. The first approach aggregates phytoplankton species based on their phylogenetic characteristics (Taxonomic group model) and the second one, on their morpho-functional properties following Reynolds' classification (Functional group model). The latter approach takes into account tolerance and sensitivity to environmental conditions. The constrained parameter estimation problems are formulated within an equation oriented framework, with a maximum likelihood objective function. The study site is Paso de las Piedras Reservoir (Argentina), which supplies water for consumption for 450,000 population. Numerical results show that phytoplankton morpho-functional groups more closely represent each species growth requirements within the group. Each model performance is quantitatively assessed by three diagnostic measures. Parameter estimation results for seasonal dynamics of the phytoplankton community and main biogeochemical variables for a one-year time horizon are presented and compared for both models, showing the functional group model enhanced performance. Finally, we explore increasing nutrient loading scenarios and predict their effect on phytoplankton dynamics throughout a one-year time horizon. PMID:26406877

  7. 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.

  8. 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.

  9. Equal Educational Opportunity and Nondiscrimination for Minority Students: Federal Enforcement of Title VI in Ability Grouping Practices. Equal Educational Opportunity Project Series, Volume IV.

    ERIC Educational Resources Information Center

    Avery, Michelle Leigh; Baird, Andrea; Chambers, David; Johnson, Wanda; Mann, Eric; Trost, Tami; Zalokar, Nadja

    This report evaluates the efforts of the U.S. Department of Education and its Office for Civil Rights (OCR) to enforce Title VI of the Civil Rights Act of 1964 in public elementary and secondary education programs based on ability grouping and tracking practices. It evaluates and analyzes OCR's implementation, compliance, and enforcement efforts.…

  10. Group chase and escape model with chasers' interaction

    NASA Astrophysics Data System (ADS)

    Saito, Takuya; Nakamura, Tomomichi; Ohira, Toru

    2016-04-01

    Group chase and escape is a new direction of studying collective behaviors merged with the traditional mathematical problems of chases and escapes proposed by Kamimura and Ohira in 2010. In their model, the chasers recognize only the escapees and pursue the nearest neighbor escapee, and the escapees recognize only the chasers and flee from the nearest neighbor chaser. We call the basic moving rule the nearest opponent interaction (NOI) strategy. In this paper we introduce a new strategy in the model. It is a local interaction that the chasers do not get too close each other, where we call the chasers' local interaction (CLI) strategy. The result of comparisons of the two strategies shows that when the number of the chasers is relatively small compared to the number of the escapees, the trapping time by the CLI strategy is much shorter than that by the NOI strategy. On the other hand, when the number of the chasers is larger than that of the escapees, this advantage of the CLI strategy does not appear. Also, we find that although chasers form clusters (spatial aggregates of chasers) when we apply the NOI strategy, the clusters appear less when we apply the CLI strategy.

  11. Chemical modeling of Arsenic(III, V) and Selenium(IV, VI) adsorption by soils surrounding ash disposal facilities

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Leachate derived from coal ash disposal facilities is a potential anthropogenic source of arsenic and selenium to the environment. To establish a practical framework for predicting attenuation and transport of As and Se in ash leachates, the adsorption of As(III), As(V), Se(IV), and Se(VI) had been...

  12. Lymantria dispar iflavirus 1 (LdIV1), a new model to study iflaviral persistence in lepidopterans

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  13. Inner ring structures in galaxies as distance indicators. IV. Distances to several groups, clusters, the Hercules supercluster, and the value of the Hubble constant

    SciTech Connect

    Buta, R.; de Vaucouleurs, G.

    1983-03-01

    The extragalactic distance scale derived in previous papers of this series from the diameters of inner ring structures (r) in galaxies is applied to the determination of the distances of six groups and clusters, and one supercluster, in the distance range 10< or =..delta..< or =112 Mpc. The clusters are well distributed on the sky and are used to derive a value of the Hubble constant free of the perturbing effects of the Local Supercluster. Several definitions of the Hubble ratio, for bound and unbound systems, and several frames of reference are introduced and used. Radial velocities V/sub c/ corrected for solar motion in a frame of reference defined by the nearby galaxies (2< or =..delta..< or =32 Mpc) are shown to yield a Hubble ratio which is substantially independent of direction. An analysis of four bound groups and one unbound grouping in the distance interval 10< or =..delta..< or =16 Mpc yields a mean Hubble ratio H/sub c/ = 92 +- 4 (internal m.e.) km s/sup -1/ Mpc/sup -1/. A similar analysis of two more distant bound systems, the IC 4329 Group at ..delta.. = 45 Mpc and the Hercules Supercluster at ..delta.. = 112 Mpc, yields H/sub c/ = 96 +- 5, or 93 +- 5 when plausible cosmological corrections are considered. The constancy of the Hubble ratio over the distance range 10< or =..delta..< or =112 Mpc gives no support to nonlinear concepts of the redshift-distance relation and demonstrates the absence of Malmquist bias in the ..mu../sub 0/(r) scale. The value of the Hubble constant derived from the rings over this range is H/sub 0/ = 93 +- 4 (internal m.e.) km s/sup -1/ Mpc/sup -1/ and +- 10 (external m.e.) when the zero point error of our tertiary indicators is included.

  14. A Life-Cycle Model of Human Social Groups Produces a U-Shaped Distribution in Group Size

    PubMed Central

    Salali, Gul Deniz; Whitehouse, Harvey; Hochberg, Michael E.

    2015-01-01

    One of the central puzzles in the study of sociocultural evolution is how and why transitions from small-scale human groups to large-scale, hierarchically more complex ones occurred. Here we develop a spatially explicit agent-based model as a first step towards understanding the ecological dynamics of small and large-scale human groups. By analogy with the interactions between single-celled and multicellular organisms, we build a theory of group lifecycles as an emergent property of single cell demographic and expansion behaviours. We find that once the transition from small-scale to large-scale groups occurs, a few large-scale groups continue expanding while small-scale groups gradually become scarcer, and large-scale groups become larger in size and fewer in number over time. Demographic and expansion behaviours of groups are largely influenced by the distribution and availability of resources. Our results conform to a pattern of human political change in which religions and nation states come to be represented by a few large units and many smaller ones. Future enhancements of the model should include decision-making rules and probabilities of fragmentation for large-scale societies. We suggest that the synthesis of population ecology and social evolution will generate increasingly plausible models of human group dynamics. PMID:26381745

  15. Teaching Point-Group Symmetry with Three-Dimensional Models

    ERIC Educational Resources Information Center

    Flint, Edward B.

    2011-01-01

    Three tools for teaching symmetry in the context of an upper-level undergraduate or introductory graduate course on the chemical applications of group theory are presented. The first is a collection of objects that have the symmetries of all the low-symmetry and high-symmetry point groups and the point groups with rotational symmetries from 2-fold…

  16. Affine group formulation of the Standard Model coupled to gravity

    SciTech Connect

    Chou, Ching-Yi; Ita, Eyo; Soo, Chopin

    2014-04-15

    In this work we apply the affine group formalism for four dimensional gravity of Lorentzian signature, which is based on Klauder’s affine algebraic program, to the formulation of the Hamiltonian constraint of the interaction of matter and all forces, including gravity with non-vanishing cosmological constant Λ, as an affine Lie algebra. We use the hermitian action of fermions coupled to gravitation and Yang–Mills theory to find the density weight one fermionic super-Hamiltonian constraint. This term, combined with the Yang–Mills and Higgs energy densities, are composed with York’s integrated time functional. The result, when combined with the imaginary part of the Chern–Simons functional Q, forms the affine commutation relation with the volume element V(x). Affine algebraic quantization of gravitation and matter on equal footing implies a fundamental uncertainty relation which is predicated upon a non-vanishing cosmological constant. -- Highlights: •Wheeler–DeWitt equation (WDW) quantized as affine algebra, realizing Klauder’s program. •WDW formulated for interaction of matter and all forces, including gravity, as affine algebra. •WDW features Hermitian generators in spite of fermionic content: Standard Model addressed. •Constructed a family of physical states for the full, coupled theory via affine coherent states. •Fundamental uncertainty relation, predicated on non-vanishing cosmological constant.

  17. Student group approach to teaching using Tuckman model of group development.

    PubMed

    Weber, M D; Karman, T A

    1991-12-01

    If health care professionals are to be effective members of an interdisciplinary team of diagnostic specialists, it is critical that their university education equip them for that role. Using Tuckman's four stages of "forming," "storming," "norming," and "performing," university faculty are shown how a group of undergraduate science students can be developed into an organism intent on identifying solutions to problems posed to them (e.g., technical, medical-ethical). The use of the group approach enhances maturity, competence, self-esteem, and motivation of the students and enables the instructor to delegate appropriate responsibilities to the students. In addition to a sense of achievement, students also reported greater appreciation of the ideas, values, and abilities of their group colleagues. PMID:1755475

  18. A Meta-Analytic Review of the Relationships Between the Five-Factor Model and DSM-IV-TR Personality Disorders: A Facet Level Analysis

    PubMed Central

    Samuel, Douglas B.; Widiger, Thomas A.

    2008-01-01

    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. PMID:18708274

  19. What Works in Group Care? – A Structured Review of Treatment Models for Group Homes and Residential Care

    PubMed Central

    James, Sigrid

    2011-01-01

    This paper presents findings from a structured review of treatment models that are relevant to group care and residential treatment settings for children involved with the child welfare system. Initiated and guided by The California Evidence-Based Clearinghouse for Child Welfare, five treatment models – Positive Peer Culture, Teaching Family Model, Sanctuary Model, Stop-Gap Model, and Re-ED – were reviewed for effectiveness. In this paper, each model s treatment features are described and relevant outcome studies reviewed in terms of their effectiveness as well as relevance for child welfare practice. Findings indicate that four of the models are either supported or promising in terms of evidence for effectiveness. Implications for group care practice and research are discussed. PMID:22468014

  20. Cerium(IV) Hexanuclear Clusters from Cerium(III) Precursors: Molecular Models for Oxidative Growth of Ceria Nanoparticles.

    PubMed

    Mathey, Laurent; Paul, Mitali; Copéret, Christophe; Tsurugi, Hayato; Mashima, Kazushi

    2015-09-14

    Reactions of cerium(III) nitrate, Ce(NO3 )3 ⋅6 H2 O, with different carboxylic acids, such as pivalic acid, benzoic acid, and 4-methoxybenzoic acid, in the presence of a tridentate N,N,N-donor ligand, diethylenetriamine (L(1) ), under aerobic conditions yielded the corresponding cerium hexamers Ce6 O8 (O2 CtBu)8 (L(1) )4 (1), Ce6 O8 (O2 CC6 H5 )8 (L(1) )4 (2), and Ce6 O8 (O2 CC6 H4 -4-OCH3 )8 (L(1) )4 (3). Hexamers 1, 2, and 3 contain the same octahedral Ce(IV) 6 O8 core, in which all interstitial oxygen atoms are connected by μ3 -oxo bridging ligands. In contrast, treatment of the Ce(IV) precursor (NH4 )2 Ce(NO3 )6 (CAN) with pivalic acid and the ligand L(1) under the same conditions afforded Ce6 O4 (OH)4 (O2 CtBu)12 (L(1) )2 (4), exhibiting a deformed octahedral Ce(IV) 6 O4 (OH)4 core containing μ3 -oxo and μ3 -hydroxo moieties in defined positions. In contrast to the formation of 1-3, the use of N-methyldiethanolamine (L) in the reaction with Ce(NO3 )3 ⋅6 H2 O and pivalic acid afforded a previously reported Ce(III) dinuclear cluster, Ce2 (O2 CtBu)6 L2 , even in the presence of dioxygen. ESI-MS analysis of the reaction mixture clearly indicated the importance of the ligand L(1) in promoting oxidation of the Ce(III) aggregates, [Cen (O2 CtBu)3n (L(1) )2 ], which is necessary for the formation of Ce(IV) hexamers. PMID:26236034

  1. Evaluation of a conceptual model for the subsurface transport of plutonium involving surface mediated reduction of PuV to PuIV.

    PubMed

    Fjeld, R A; Serkiz, S M; McGinnis, P L; Elci, Alper; Kaplan, Daniel I

    2003-12-01

    A conceptual model is proposed to explain the transport behavior of plutonium in laboratory columns packed with a sandy coastal soil from the U.S. Department of Energy (DOE)'s Savannah River Site. The column transport experiments involved the introduction of a finite step input of plutonium, predominately in the +5 oxidation state, into the columns followed by elution with a low-carbonate solution of 0.02 M NaClO4 at pH 3, 5, and 8. Total plutonium concentrations were measured in the effluent as a function of time. These elution profiles suggest at least two distinct physical/chemical forms of plutonium, each with a different mobility. To explain the observed behavior, the following conceptual model was evaluated: [1] equilibrium partitioning of plutonium (V) and plutonium (IV) between the aqueous and sorbed phases as defined by pH-dependent, oxidation-state specific distribution coefficients and [2] kinetic reduction of plutonium (V) to plutonium (IV) in the sorbed phase. The conceptual model was applied to the column experiments through a one-dimensional advective/dispersive mathematical model, and predictions of the mathematical model were compared with the experimental data. Overall, the model was successful in predicting some of the major features observed in the experiments. It also yielded quantitative estimates of the rate constant for surface mediated reduction of plutonium (V) to plutonium (IV) that were of the same order (10(-4) to 10(-5) s(-1)) as those calculated from batch data both for this soil and for goethite. PMID:14607471

  2. A Mathematical Model of the Effects of Internal Group Pressures, of Group Communication, and of Out-Group Communication on Attitude Change in Human Communication Networks.

    ERIC Educational Resources Information Center

    Johnson, J. David

    A mathematical model that describes attitude change in human communication networks is developed in this paper. The parameters of the model are drawn from a review of the literature related to network analysis, small group influence, mass communication, and attitude change. The literature review identifies key variables that influence attitude…

  3. A Model for Training Master's Level Addiction Counselors in Group Process

    ERIC Educational Resources Information Center

    O'Mara, Eileen McCabe; Demask, Michael P.

    2003-01-01

    The authors present a model for teaching group at the master's level that integrates classroom with experiential group practice. The basis for this adult learning model is an understanding of addiction, a model of how people change, and an appreciation of the stages of group development. The components of the model are didactic presentation, class…

  4. Synthesis and Structures of the New Group IV Chalcogenides NaCuTiS 3 and NaCuZr Q3 ( Q = S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Mansuetto, Michael F.; Keane, Patricia M.; Ibers, James A.

    1993-08-01

    The new compounds NaCuTiS 3 and NaCuZr Q3 ( Q = S, Se, Te) have been synthesized through reaction of the elements with a Na 2Qn flux. The compounds NaCuTiS 3, NaCuZrSe 3, and NaCuZrTe 3 crystallize in space group D162h- Pnma of the orthorhombic system with four formula units in cells of dimensions a = 12.738(10), b = 3.554(3), c = 9.529(8) Å for NaCuTiS 3; a = 13.392(5), b = 3,833(1), c = 10.250(4) Å for NaCuZrSe 3; a = 14.34(4), b = 4.06(1), c = 10.93(3) Å for NaCuZrTe 3 ( T = 113 K). NaCuZrS 3 crystallizes in space group D172h - Cmcm of the orthorhombic system with four formula units in a cell of dimensions a = 3.688(1), b = 12.838(5), c = 9.726(3) Å. The structures of all four compounds have been determined by single-crystal X-ray methods. The structures are composed of 2∞[Cu MQ-3] ( M = Ti, Q = S; M = Zr, Q = S, Se, Te) layers separated by Na + cations. The Cu atoms are tetrahedrally coordinated and the M atoms are octahedrally coordinated. NaCuZrS 3 is isostructural with the recently reported series of compounds KCuZrQ 3 ( Q = S, Se, Te). NaCuTiS 3, NaCuZrSe 3, and NaCuZrTe 3 represent a new structure type with the 2∞ [Cu MQ-3] layer being composed of alternating pairs of Cu Q4 tetrahedra and M Q6 octahedra in the [001] direction. The Na 1 cations are coordinated by seven chalcogen atoms in a monocapped trigonal prismatic arrangement.

  5. On-line spectroscopic studies of group IV alkoxides and their interactions with organic additives during the sol-gel process

    SciTech Connect

    Wettling, D.; Truchet, S.; Guilment, J.; Poncelet, O.

    1996-12-31

    The potential of vibrational spectroscopy for the study of group 4 alkoxides M(OR){sub 4} has been demonstrated in several papers, but only a few of these papers have presented results from online measurements. The monitoring of different reactions such as the stabilization of the alkoxides with organic additives, the exchange processes between different metal alkoxides (R exchange or M exchange) and the hydrolysis process can be of great importance for the development of new synthetic routes leading to materials which are easier to process. NIR spectroscopy is a very versatile technique but lacks specificity while IR and Raman give more interpretive results but are not always easy during processing. The authors used both techniques along with chemometric tools to extract relevant information on their processes. The 2D correlation allowed benefits from the specificity of IR and Raman to develop robust NIR methods which are able to be used on line to monitor the different steps of the sol-gel process.

  6. A Laboratory Group Model for Engaging Undergraduates in Faculty Research.

    ERIC Educational Resources Information Center

    Plante, Thomas G.

    1998-01-01

    Outlines a laboratory group program for engaging large numbers of undergraduate psychology students in faculty research at small liberal arts colleges with limited research resources. Participating in the group enhances the students' interest in and understanding of research and improves their chances of being accepted into a graduate program.…

  7. Training Vocational Rehabilitation Counselors in Group Dynamics: A Psychoeducational Model.

    ERIC Educational Resources Information Center

    Elliott, Timothy R.

    1990-01-01

    Describes a six-session psychoeducational program for training vocational rehabilitation counselors in group dynamics. Presents evaluation of program by counselors (N=15) in which leadership styles, conflict management, and typology of group tasks concepts were rated as most beneficial. (Author/ABL)

  8. Genomics:GTL Contractor-Grantee Workshop IV and Metabolic Engineering Working Group Inter-Agency Conference on Metabolic Engineering 2006

    SciTech Connect

    Mansfield, Betty Kay; Martin, Sheryl A

    2006-02-01

    Welcome to the 2006 joint meeting of the fourth Genomics:GTL Contractor-Grantee Workshop and the six Metabolic Engineering Working Group Inter-Agency Conference. The vision and scope of the Genomics:GTL program continue to expand and encompass research and technology issues from diverse scientific disciplines, attracting broad interest and support from researchers at universities, DOE national laboratories, and industry. Metabolic engineering's vision is the targeted and purposeful alteration of metabolic pathways to improve the understanding and use of cellular pathways for chemical transformation, energy transduction, and supramolecular assembly. These two programs have much complementarity in both vision and technological approaches, as reflected in this joint workshop. GLT's challenge to the scientific community remains the further development and use of a broad array of innovative technologies and computational tools to systematically leverage the knowledge and capabilities brought to us by DNA sequencing projects. The goal is to seek a broad and predictive understanding of the functioning and control of complex systems--individual microbes, microbial communities, and plants. GTL's prominent position at the interface of the physical, computational, and biological sciences is both a strength and challenge. Microbes remain GTL's principal biological focus. In the complex 'simplicity' of microbes, they find capabilities needed by DOE and the nation for clean and secure energy, cleanup of environmental contamination, and sequestration of atmospheric carbon dioxide that contributes to global warming. An ongoing challenge for the entire GTL community is to demonstrate that the fundamental science conducted in each of your research projects brings us a step closer to biology-based solutions for these important national energy and environmental needs.

  9. Epigenetic chromatin modifiers in barley: IV. The study of barley Polycomb group (PcG) genes during seed development and in response to external ABA

    PubMed Central

    2010-01-01

    Background Epigenetic phenomena have been associated with the regulation of active and silent chromatin states achieved by modifications of chromatin structure through DNA methylation, and histone post-translational modifications. The latter is accomplished, in part, through the action of PcG (Polycomb group) protein complexes which methylate nucleosomal histone tails at specific sites, ultimately leading to chromatin compaction and gene silencing. Different PcG complex variants operating during different developmental stages have been described in plants. In particular, the so-called FIE/MEA/FIS2 complex governs the expression of genes important in embryo and endosperm development in Arabidopsis. In our effort to understand the epigenetic mechanisms regulating seed development in barley (Hordeum vulgare), an agronomically important monocot plant cultivated for its endosperm, we set out to characterize the genes encoding barley PcG proteins. Results Four barley PcG gene homologues, named HvFIE, HvE(Z), HvSu(z)12a, and HvSu(z)12b were identified and structurally and phylogenetically characterized. The corresponding genes HvFIE, HvE(Z), HvSu(z)12a, and HvSu(z)12b were mapped onto barley chromosomes 7H, 4H, 2H and 5H, respectively. Expression analysis of the PcG genes revealed significant differences in gene expression among tissues and seed developmental stages and between barley cultivars with varying seed size. Furthermore, HvFIE and HvE(Z) gene expression was responsive to the abiotic stress-related hormone abscisic acid (ABA) known to be involved in seed maturation, dormancy and germination. Conclusion This study reports the first characterization of the PcG homologues, HvFIE, HvE(Z), HvSu(z)12a and HvSu(z)12b in barley. All genes co-localized with known chromosomal regions responsible for malting quality related traits, suggesting that they might be used for developing molecular markers to be applied in marker assisted selection. The PcG differential expression

  10. The IWG (Interagency Working Group) model for the heterosexual spread of HIV and the demographic impact of the AIDS epidemic

    SciTech Connect

    Stanley, E.A. ); Seitz, S.T. ); Way, P.O.; Johnson, P.D. ); Curry, T.F. )

    1990-01-01

    This paper presents the State Department's Interagency Working Group (IWG) model for the spread of HIV. The model is fully operational for Pattern 2 (heterosexual blood transmission) and Pattern 3 (heterosexual, homosexual, and IV drug transmission) countries. This model was developed for various uses, including technical research, policy analysis, and support for decision making. Research uses include studying patterns of HIV spread, assessing the relative effect of different processes on the spread of HIV, examining the demographic impact of HIV infections, and comparing the potential impact of behavioral versus medical intervention strategies. The model will be used in workshops where policy makers and health officials can do hands-on scenario analyses, gain qualitative insights into the possible long-term-epidemiological and demographic impact of HIV, gauge the uncertainties in predictions for the future, and study the impact of HIV, gauge the uncertainties in predictions for the future, and study the impact that intervention strategies are likely to have. The computational model uses a deterministic system of differential equations and runs on a 286- or a 386-based IBM-compatible machine under Microsoft Windows. The program requires an input ASCII (text) file to run; all parameters used by the model are input through this file and, therefore, are user-accessible. The software is user-friendly, mouse-driven, and allows for interactive manipulation of input data and visualization and processing of model outputs. 15 refs., 13 figs., 1 tab.

  11. AS-IV protects against kidney IRI through inhibition of NF-κB activity and PUMA upregulation

    PubMed Central

    Xin, Yan; Li, Gang; Liu, Hongxiu; Ai, Dengbin

    2015-01-01

    Objective: To determine and explore the effect of Astragalus saponin IV (AS-IV) on ischemia/reperfusion (IR)-induced renal injury and its mechanisms. Methods: Experimental model of renal I/R was induced in rats by bilateral renal artery clamp for 45 min followed by reperfusion of 6 h. Rats were divided into three groups: ① sham ② IRI ③ IRI/AS-IV. In IRI/AS-IV groups, AS-IV was orally administered once a day to rats at 2 mg·kg-1·d-1 for 7 days prior to ischemia. At 6 h after reperfusion, the inflammatory cytokines and renal function was assessed and NF-κB activity and PUMA expression was detected. Apoptotic cells was detected by TUNEL assay. Results: AS-IV significantly decreased serum and tissue levels of IL-6 and TNF-α, and reduced apoptotic cell counts and histological damage. AS-IV down-regulated the phosphorylation of p65 subunit of NF-κB (NF-κB p65) and PUMA expression, and the NF-κB activity compared to the I/R groups. Conclusions: AS-IV provided protection against IRI-induced renal injury by reducing apoptosis and inflammation through inhibition of NF-κB activity and PUMA expression. AS-IV pre-treatment ameliorated tubular damage and suppressed the NF-κB p65 expression. PMID:26770431

  12. Working Group 1: Software System Design and Implementation for Environmental Modeling

    EPA Science Inventory

    ISCMEM Working Group One Presentation, presentation with the purpose of fostering the exchange of information about environmental modeling tools, modeling frameworks, and environmental monitoring databases.

  13. IV Administered Gadodiamide Enters the Lumen of the Prostatic Glands: X-Ray Fluorescence Microscopy Examination of a Mouse Model

    PubMed Central

    Mustafi, Devkumar; Gleber, Sophie-Charlotte; Ward, Jesse; Dougherty, Urszula; Zamora, Marta; Markiewicz, Erica; Binder, David C.; Antic, Tatjana; Vogt, Stefan; Karczmar, Gregory S.; Oto, Aytekin

    2015-01-01

    OBJECTIVE Dynamic contrast-enhanced MRI (DCE-MRI) has become a standard component of multiparametric protocols for MRI examination of the prostate, and its use is incorporated into current guidelines for prostate MRI examination. Analysis of DCE-MRI data for the prostate is usually based on the distribution of gadolinium-based agents, such as gadodiamide, into two well-mixed compartments, and it assumes that gadodiamide does not enter into the glandular lumen. However, this assumption has not been directly tested. The purpose of this study was to use x-ray fluorescence microscopy (XFM) imaging in situ to measure the concentration of gadodiamide in the epithelia and lumens of the prostate of healthy mice after IV injection of the contrast agent. MATERIALS AND METHODS Six C57Bl6 male mice (age, 28 weeks) were sacrificed 10 minutes after IV injection of gadodiamide (0.13 mmol/kg), and three mice were sacrificed after saline injection. Prostate tissue samples obtained from each mouse were harvested and frozen; 7-µm-thick slices were sectioned for XFM imaging, and adjacent 5-µm-thick slices were sectioned for H and E staining. Elemental concentrations were determined from XFM images. RESULTS A mean (± SD) baseline concentration of gadolinium of 0.01 ± 0.01 mM was determined from XFM measurements of prostatic tissue samples when no gadodiamide was administered, and it was used to determine the measurement error. When gadodiamide was added, the mean concentrations of gadolinium in the epithelia and lumens in 32 prostatic glands from six mice were 1.00 ± 0.13 and 0.36 ± 0.09 mM, respectively. CONCLUSION Our data suggest that IV administration of gadodiamide results in uptake of contrast agent by the glandular lumens of the mouse prostate. We were able to quantitatively determine gadodiamide distributions in mouse prostatic epithelia and lumens. PMID:26295667

  14. Intelligent Virtual Station (IVS)

    NASA Technical Reports Server (NTRS)

    2002-01-01

    The Intelligent Virtual Station (IVS) is enabling the integration of design, training, and operations capabilities into an intelligent virtual station for the International Space Station (ISS). A viewgraph of the IVS Remote Server is presented.

  15. A Demands-Resources Model of Work Pressure in IT Student Task Groups

    ERIC Educational Resources Information Center

    Wilson, E. Vance; Sheetz, Steven D.

    2010-01-01

    This paper presents an initial test of the group task demands-resources (GTD-R) model of group task performance among IT students. We theorize that demands and resources in group work influence formation of perceived group work pressure (GWP) and that heightened levels of GWP inhibit group task performance. A prior study identified 11 factors…

  16. The Achieving Success Everyday Group Counseling Model: Implications for Professional School Counselors

    ERIC Educational Resources Information Center

    Steen, Sam; Henfield, Malik S.; Booker, Beverly

    2014-01-01

    This article presents the Achieving Success Everyday (ASE) group counseling model, which is designed to help school counselors integrate students' academic and personal-social development into their group work. We first describe this group model in detail and then offer one case example of a middle school counselor using the ASE model to…

  17. Ovarian Cancer Stage IV

    MedlinePlus

    ... hyphen, e.g. -historical Searches are case-insensitive Ovarian Cancer Stage IV Add to My Pictures View /Download : ... 1200x1335 View Download Large: 2400x2670 View Download Title: Ovarian Cancer Stage IV Description: Drawing of stage IV shows ...

  18. ESCRT-Dependent Cell Death in a Caenorhabditis elegans Model of the Lysosomal Storage Disorder Mucolipidosis Type IV.

    PubMed

    Huynh, Julie M; Dang, Hope; Munoz-Tucker, Isabel A; O'Ketch, Marvin; Liu, Ian T; Perno, Savannah; Bhuyan, Natasha; Crain, Allison; Borbon, Ivan; Fares, Hanna

    2016-02-01

    Mutations in MCOLN1, which encodes the cation channel protein TRPML1, result in the neurodegenerative lysosomal storage disorder Mucolipidosis type IV. Mucolipidosis type IV patients show lysosomal dysfunction in many tissues and neuronal cell death. The ortholog of TRPML1 in Caenorhabditis elegans is CUP-5; loss of CUP-5 results in lysosomal dysfunction in many tissues and death of developing intestinal cells that results in embryonic lethality. We previously showed that a null mutation in the ATP-Binding Cassette transporter MRP-4 rescues the lysosomal defect and embryonic lethality of cup-5(null) worms. Here we show that reducing levels of the Endosomal Sorting Complex Required for Transport (ESCRT)-associated proteins DID-2, USP-50, and ALX-1/EGO-2, which mediate the final de-ubiquitination step of integral membrane proteins being sequestered into late endosomes, also almost fully suppresses cup-5(null) mutant lysosomal defects and embryonic lethality. Indeed, we show that MRP-4 protein is hypo-ubiquitinated in the absence of CUP-5 and that reducing levels of ESCRT-associated proteins suppresses this hypo-ubiquitination. Thus, increased ESCRT-associated de-ubiquitinating activity mediates the lysosomal defects and corresponding cell death phenotypes in the absence of CUP-5. PMID:26596346

  19. General Point-Depletion and Fission Product Code System and Four-Group Fission Product Neutron Absorption Chain Data Library Generated from ENDF/B-IV for Thermal Reactors

    Energy Science and Technology Software Center (ESTSC)

    1981-12-01

    EPRI-CINDER calculates, for any specified initial fuel (actinide) description and flux or power history, the fuel and fission-product nuclide concentrations and associated properties. Other nuclide chains can also be computed with user-supplied libraries. The EPRI-CINDER Data Library (incorporating ENDF/B-IV fission-product processed 4-group cross sections, decay constants, absorption and decay branching fractions, and effective fission yields) is used in each constant-flux time step calculation and in time step summaries of nuclide decay rates and macroscopic absorptionmore » and barns-per-fission (b/f) absorption cross sections (by neutron group). User-supplied nuclide decay energy and multigroup-spectra data libraries may be attached to permit decay heating and decay-spectra calculations. An additional 12-chain library, explicitly including 27 major fission-product neutron absorbers and 4 fictitious nuclides, may be used to accurately calculate the aggregate macroscopic absorption buildup in fission products.« less

  20. Pu(V) transport through Savannah River Site soils - an evaluation of a conceptual model of surface- mediated reduction to Pu (IV).

    PubMed

    Powell, Brian A; Kaplan, Daniel I; Serkiz, Steven M; Coates, John T; Fjeld, Robert A

    2014-05-01

    Over the last fifteen years the Savannah River Site (SRS) in South Carolina, USA, was selected as the site of three new plutonium facilities: the Mixed Oxide Fuel Fabrication Facility, Pit Disassembly and Conversion Facility, and the Pu Immobilization Plant. In order to assess the potential human and environmental risk associated with these recent initiatives, improved understanding of the fate and transport of Pu in the SRS subsurface environment is necessary. The hypothesis of this study was that the more mobile forms of Pu, Pu(V) and Pu(VI), would be reduced to the less mobile Pu(III/IV) oxidation states under ambient SRS subsurface conditions. Laboratory-scale dynamic flow experiments (i.e., column studies) indicated that Pu(V) was very mobile in SRS sediments. At higher pH values the mobility of Pu decreased and the fraction of Pu that became irreversibly sorbed to the sediment increased, albeit, only slightly. Conversely, these column experiments showed that Pu(IV) was essentially immobile and was largely irreversibly sorbed to the sediment. More than 100 batch sorption experiments were also conducted with four end-member sediments, i.e., sediments that include the chemical, textural, and mineralogical properties likely to exist in the SRS. These tests were conducted as a function of initial Pu oxidation state, pH, and contact time and consistently demonstrated that although Pu(V) sorbed initially quite weakly to sediments, it slowly, over the course of <33 days, sorbed very strongly to sediments, to approximately the same degree as Pu(IV). This is consistent with our hypothesis that Pu(V) is reduced to the more strongly sorbing form of Pu, Pu(IV). These studies provide important experimental support for a conceptual geochemical model for dissolved Pu in a highly weathered subsurface environment. That is that, irrespective of the initial oxidation state of the dissolved Pu introduced into a SRS sediment system, Pu(IV) controls the environmental transport

  1. Zirconium(IV) and Hafnium(IV) Porphyrin and Phthalocyanine Complexes as New Dyes for Solar Cell Devices

    PubMed Central

    Radivojevic, Ivana; Bazzan, Giorgio; Burton-Pye, Benjamin P.; Ithisuphalap, Kemakorn; Saleh, Raihan; Durstock, Michael F.; Francesconi, Lynn C.; Drain, Charles Michael

    2012-01-01

    Metalloporphyrin and metallophthalocyanine dyes ligating Hf(IV) and Zr(IV) ions bind to semiconductor oxide surfaces such as TiO2 via the protruding group IV metal ions. The use of oxophylic metal ions with large ionic radii that protrude from the macrocycle is a unique mode of attaching chromophores to oxide surfaces in the design of dye-sensitized solar cells (DSSCs). Our previous report on the structure and physical properties of ternary complexes wherein the Hf(IV) and Zr(IV) ions are ligated to both a porphyrinoid and to a defect site on a polyoxometalate (POM) represents a model for this new way of binding dyes to oxide surfaces. The Zr(IV) and Hf(IV) complexes of 5,10,15,20-tetraphenylporphyrin (TPP) with two ligated acetates, (TPP)Hf(OAc)2 and (TPP)Zr(OAc)2, and the corresponding metallophthalocyanine (Pc) diacetate complexes, (Pc)Hf(OAc)2 and (Pc)Zr(OAc)2, were evaluated as novel dyes for the fabrication of dye-sensitized solar cells. Similarly to the ternary complexes with the POM, the oxide surface replaces the acetates to affect binding. In DSSCs the Zr(IV) phthalocyanine dye performs better than the Zr(IV) porphyrin dye, and reaches an overall efficiency of ~ 1.0%. The Hf(IV) dyes are less efficient. The photophysical properties of these complexes in solution suggested energetically favorable injection of electrons into the conduction band of TiO2 semiconductor nanoparticles, as well as a good band gap match with I3−/I− pair in liquid 1-butyl-3-methyl imidazolium iodide. The combination of blue absorbing TPP with the red absorbing Pc complexes can increase the absorbance of solar light in the device; however, the overall conversion efficiency of DSSCs using TiO2 nanoparticles treated with a mixture of both Zr(IV) complexes is comparable, but not greater than, the single (Pc)Zr. Thus, surface bound (TPP)Zr increases the absorbance in blue region of the spectra, but at the cost of diminished absorbance in the red in this DSSC architecture. PMID

  2. A Model for Establishing an Astronomy Education Discussion Group

    NASA Astrophysics Data System (ADS)

    Deming, Grace; Hayes-Gehrke, M.; Zauderer, B. A.; Bovill, M. S.; DeCesar, M.

    2010-01-01

    In October 2005, a group of astronomy faculty and graduate students met to establish departmental support for participants in the UM Center for Teaching Excellence University Teaching and Learning Program. This program seeks to increase graduate students’ understanding of effective teaching methods, awareness of student learning, and appreciation of education as a scholarly pursuit. Our group has facilitated the submission of successful graduate student educational development grant proposals to the Center for Teaching Excellence (CTE). Completion of the CTE program results in a notation on the graduate student's transcript. Our discussion group met monthly during the first two years. The Astronomy Education Review, The Physics Teacher, The Washington Post, The Chronicle of Higher Education, and National Research Council publications were used to provide background for discussion. Beginning in 2007, the group began sponsoring monthly astronomy education lunches during the academic year to which the entire department was invited. Over the past two years, speakers have included graduate students, faculty, and guests, such as Jay Labov from the National Research Council. Topics have included the Astronomy Diagnostic Test, intelligent design versus evolution, active learning techniques, introducing the use of lecture tutorials, using effective demonstrations, confronting student misconceptions, engagement through clickers (or cards), and fostering critical thinking with ranking tasks. The results of an informal evaluation will be presented.

  3. Multilevel Mediation Modeling in Group-Based Intervention Studies.

    ERIC Educational Resources Information Center

    Krull, Jennifer L.; MacKinnon, David P.

    1999-01-01

    Proposes and evaluates a method to test for mediation in multilevel data sets formed when an intervention administered to groups is designed to produce change in individual mediator and outcome variables. Applies the method to the ATLAS intervention designed to decrease steroid use among high school football players. (SLD)

  4. Modeling the Effects of Person Group Factors on Discrimination

    ERIC Educational Resources Information Center

    Humphry, Stephen M.

    2010-01-01

    Discrimination has traditionally been parameterized for items but not other empirical factors. Consequently, if person factors affect discrimination they cause misfit. However, by explicitly formulating the relationship between discrimination and the unit of a metric, it is possible to parameterize discrimination for person groups. This article…

  5. Group IV mid-infrared photonics

    NASA Astrophysics Data System (ADS)

    Mashanovich, G. Z.; Nedeljkovic, M.; Soler Penades, J.; Mitchell, C. J.; Khokhar, A. Z.; Littlejohns, C. J.; Stankovic, S.; Troia, B.; Wang, Y.; Reynolds, S.; Passaro, V. M. N.; Shen, L.; Healy, N.; Peacock, A. C.; Alonso-Ramos, C.; Ortega-Monux, A.; Wanguemert-Perez, G.; Molina-Fernandez, I.; Rowe, D. J.; Wilkinson, J. S.; Cheben, P.; Ackert, J. J.; Knights, A. P.; Thomson, D. J.; Gardes, F. Y.

    2015-02-01

    In this paper we present SOI, suspended Si, and Ge-on-Si photonic platforms and devices for the mid-infrared. We demonstrate low loss strip and slot waveguides in SOI and show efficient strip-slot couplers. A Vernier configuration based on racetrack resonators in SOI has been also investigated. Mid-infrared detection using defect engineered silicon waveguides is reported at the wavelength of 2-2.5 μm. In order to extend transparency of Si waveguides, the bottom oxide cladding needs to be removed. We report a novel suspended Si design based on subwavelength structures that is more robust than previously reported suspended designs. We have fabricated record low loss Ge-on-Si waveguides, as well as several other passive devices in this platform. All optical modulation in Ge is also analyzed.

  6. Alternative Approaches to Group IV Thermoelectric Materials

    NASA Astrophysics Data System (ADS)

    Snedaker, Matthew Loren

    In the pursuit of energy efficiency, there is a demand for systems capable of recovering waste heat. A temperature gradient across a thermoelectric material results in the thermal diffusion of charge carriers from the hot side to the cold side, giving rise to a voltage that can be used to convert waste heat to electricity. Silicon germanium (SiGe) alloys are the standard materials used for thermoelectric generators at high temperatures. We report an alternative method for preparing p-type Si1- xGex alloys from a boron-doped silica-germania nanocomposite. This is the first demonstration of the thermoelectric properties of SiGe-based thermoelectrics prepared at temperatures below the alloy's melting point through a magnesiothermic reduction of the (SiO 2)1-x(GeO2) x. We observe a thermoelectric power factor that is competitive with the literature record for the conventionally prepared SiGe. The large grain size in our hot pressed SiGe limits the thermoelectric figure of merit to 0.5 at 800°C for an optimally doped p-type Si80Ge 20 alloy. A phosphorus-doped oxide can yield n-type Si1- xGex; however, the current processing method introduces a background boron content that compensates ~10% of the donor impurities and limits the thermoelectric power factor. Spark plasma sintering of the nano-Si1-xGe x yields a heterogeneous alloy with thermal conductivity lower than that of the hot pressed homogeneous alloy due to a reduction in the average crystallite size. Magnesiothermic reduction in the presence of molten salts allows some control over crystallite growth and the extent of Si-Ge alloying.

  7. IV Administered Gadodiamide Enters the Lumen of the Prostatic Glands: X-Ray Fluorescence Microscopy Examination of a Mouse Model

    DOE PAGESBeta

    Mustafi, Devkumar; Gleber, Sophie-Charlotte; Ward, Jesse; Dougherty, Urszula; Zamora, Marta; Markiewicz, Erica; Binder, David C.; Antic, Tatjana; Vogt, Stefan; Karczmar, Gregory S.; et al

    2015-09-01

    In our objective, we descibe how dynamic contrast-enhanced MRI (DCE-MRI) has become a standard component of multiparametric protocols for MRI examination of the prostate, and its use is incorporated into current guidelines for prostate MRI examination. Analysis of DCE-MRI data for the prostate is usually based on the distribution of gadolinium-based agents, such as gadodiamide, into two well-mixed compartments, and it assumes that gadodiamide does not enter into the glandular lumen. However, this assumption has not been directly tested. The purpose of this study was to use x-ray fluorescence microscopy (XFM) imaging in situ to measure the concentration of gadodiamidemore » in the epithelia and lumens of the prostate of healthy mice after IV injection of the contrast agent. For our materials and methods, six C57Bl6 male mice (age, 28 weeks) were sacrificed 10 minutes after IV injection of gadodiamide (0.13 mmol/kg), and three mice were sacrificed after saline injection. Prostate tissue samples obtained from each mouse were harvested and frozen; 7-μm-thick slices were sectioned for XFM imaging, and adjacent 5-μm-thick slices were sectioned for H and E staining. Elemental concentrations were determined from XFM images. Our results show mean (± SD) baseline concentration of gadolinium of 0.01 ± 0.01 mM was determined from XFM measurements of prostatic tissue samples when no gadodiamide was administered, and it was used to determine the measurement error. When gadodiamide was added, the mean concentrations of gadolinium in the epithelia and lumens in 32 prostatic glands from six mice were 1.00 ± 0.13 and 0.36 ± 0.09 mM, respectively. In conclusion, our data suggest that IV administration of gadodiamide results in uptake of contrast agent by the glandular lumens of the mouse prostate. We were able to quantitatively determine gadodiamide distributions in mouse prostatic epithelia and lumens.« less

  8. IV Administered Gadodiamide Enters the Lumen of the Prostatic Glands: X-Ray Fluorescence Microscopy Examination of a Mouse Model

    SciTech Connect

    Mustafi, Devkumar; Gleber, Sophie-Charlotte; Ward, Jesse; Dougherty, Urszula; Zamora, Marta; Markiewicz, Erica; Binder, David C.; Antic, Tatjana; Vogt, Stefan; Karczmar, Gregory S.; Oto, Aytekin

    2015-09-01

    In our objective, we descibe how dynamic contrast-enhanced MRI (DCE-MRI) has become a standard component of multiparametric protocols for MRI examination of the prostate, and its use is incorporated into current guidelines for prostate MRI examination. Analysis of DCE-MRI data for the prostate is usually based on the distribution of gadolinium-based agents, such as gadodiamide, into two well-mixed compartments, and it assumes that gadodiamide does not enter into the glandular lumen. However, this assumption has not been directly tested. The purpose of this study was to use x-ray fluorescence microscopy (XFM) imaging in situ to measure the concentration of gadodiamide in the epithelia and lumens of the prostate of healthy mice after IV injection of the contrast agent. For our materials and methods, six C57Bl6 male mice (age, 28 weeks) were sacrificed 10 minutes after IV injection of gadodiamide (0.13 mmol/kg), and three mice were sacrificed after saline injection. Prostate tissue samples obtained from each mouse were harvested and frozen; 7-μm-thick slices were sectioned for XFM imaging, and adjacent 5-μm-thick slices were sectioned for H and E staining. Elemental concentrations were determined from XFM images. Our results show mean (± SD) baseline concentration of gadolinium of 0.01 ± 0.01 mM was determined from XFM measurements of prostatic tissue samples when no gadodiamide was administered, and it was used to determine the measurement error. When gadodiamide was added, the mean concentrations of gadolinium in the epithelia and lumens in 32 prostatic glands from six mice were 1.00 ± 0.13 and 0.36 ± 0.09 mM, respectively. In conclusion, our data suggest that IV administration of gadodiamide results in uptake of contrast agent by the glandular lumens of the mouse prostate. We were able to quantitatively determine gadodiamide distributions in mouse prostatic epithelia and lumens.

  9. The mathematical modeling of grouping the dipole water clusters

    NASA Astrophysics Data System (ADS)

    Shaidurov, Vladimir; Kornienko, Viktoria; Vyatkin, Alexander

    2016-08-01

    In the present paper, a physical-mathematical model and a computational algorithm implementing the model are proposed to study the behavior of particles having an electric dipole moment in an external electric field. Computational experiments demonstrate the orientation dynamics of water clusters with the increase of the generated field. The dipole properties of some water clusters were previously determined using Hyperchem program.

  10. Group-enabled DEVS model construction methodology for distributed organizations

    NASA Astrophysics Data System (ADS)

    Sarjoughian, Hessam S.; Vahie, Sankait; Lee, James D.

    1997-06-01

    A USAF project has been initiated to enable groupware that currently supports IDEF activity model capture to be extended to support DEVS model construction. The methodology developed for this purpose enables team participants to enter activity data and then be queried for additional data that support DEVS system decomposition, assigning the activities to components and adding in relevant dynamics.

  11. Modeling of the Bistatic Scattering by a Group of Cylinders

    NASA Astrophysics Data System (ADS)

    Thirion-Lefevre, L.; Dahon, C.

    2007-03-01

    We propose in this communication to study the scattering of a group of cylinders at P-band in bistatic configurations. The goal is to determine which radar configurations can be of interest for FOliage PENetration (FOPEN) studies on a first hand, and which radar configurations maximise the difference between the amplitude of the cross-polarized scattering coefficients, when we analyzed a forested area. To achieve this study, we analyse the scattering by a group of cylinders at P-band, whose locations and orientations are either random or deterministic. The receiver is located at a constant place and the receiver moves around a square scene of about 400m by 400m, so that the aspect angle varies between 0 and π /2 and the squint angle is in [0, π ].

  12. The Spanish human papillomavirus vaccine consensus group: a working model.

    PubMed

    Cortés-Bordoy, Javier; Martinón-Torres, Federico

    2010-08-01

    Successful implementation of Human Papillomavirus (HPV) vaccine in each country can only be achieved from a complementary and synergistic perspective, integrating all the different points of view of the diverse related professionals. It is this context where the Spanish HPV Vaccine Consensus Group (Grupo Español de Consenso sobre la Vacuna VPH, GEC-VPH) was created. GEC-VPH philosophy, objectives and experience are reported in this article, with particular attention to the management of negative publicity and anti-vaccine groups. Initiatives as GEC-VPH--adapted to each country's particular idiosyncrasies--might help to overcome the existing barriers and to achieve wide and early implementation of HPV vaccination. PMID:20484987

  13. A model for group counseling with male pedophiles.

    PubMed

    van Zessen, G

    1990-01-01

    Group treatment programs for pedophiles are often designed for populations of convicted men in closed institutions with limited application to other populations. Treatment is usually focused on reducing the "deviant" sexual arousal and/or acquiring heterosocial skills and eventually establishing the ability to engage in adult heterosexual relationships. A six-week, highly structured program is presented to five men in a non-residential setting. In addition to individual psychotherapy, group counseling is offered. Male pedophiles are trained to talk effectively about common problems surrounding man-boy relationships. Counseling is based on the notion that the emotional, erotic and sexual attraction to boys per se does not need to be legitimized or modified. The attraction, however, can be a source of psychological and social problems that can be handled by using a social support system. Social support for pedophile problems can be obtained from and in interaction with other pedophiles. PMID:2086631

  14. Modeling the dimensionality of DSM-IV alcohol use disorder criteria in a nationally representative sample of college students.

    PubMed

    Ehlke, Sarah J; Hagman, Brett T; Cohn, Amy M

    2012-08-01

    This study examined the dimensionality of DSM-IV alcohol use disorder (AUD) criteria in a nationally representative sample of college students (N = 4,605) using latent variable techniques. We used data from the 2009 National Survey of Drug Use and Health and selected those who were currently enrolled in college and current drinkers. Confirmatory factor analysis provided support for a one-factor solution of the AUD criteria. Item Response Theory analyses indicated that the alcohol abuse and dependence criteria severity parameters were intermixed along the AUD severity continuum with high discrimination parameters. Findings support reformulating the current AUD diagnostic system for the DSM-V. Study's limitations are noted. PMID:22515205

  15. Explorations in combining cognitive models of individuals and system dynamics models of groups.

    SciTech Connect

    Backus, George A.

    2008-07-01

    This report documents a demonstration model of interacting insurgent leadership, military leadership, government leadership, and societal dynamics under a variety of interventions. The primary focus of the work is the portrayal of a token societal model that responds to leadership activities. The model also includes a linkage between leadership and society that implicitly represents the leadership subordinates as they directly interact with the population. The societal model is meant to demonstrate the efficacy and viability of using System Dynamics (SD) methods to simulate populations and that these can then connect to cognitive models depicting individuals. SD models typically focus on average behavior and thus have limited applicability to describe small groups or individuals. On the other hand, cognitive models readily describe individual behavior but can become cumbersome when used to describe populations. Realistic security situations are invariably a mix of individual and population dynamics. Therefore, the ability to tie SD models to cognitive models provides a critical capability that would be otherwise be unavailable.

  16. Models in Boundary Quantum Field Theory Associated with Lattices and Loop Group Models

    NASA Astrophysics Data System (ADS)

    Bischoff, Marcel

    2012-11-01

    In this article we give new examples of models in boundary quantum field theory, i.e. local time-translation covariant nets of von Neumann algebras, using a recent construction of Longo and Witten, which uses a local conformal net {{A}} on the real line together with an element of a unitary semigroup associated with {{A}}. Namely, we compute elements of this semigroup coming from Hölder continuous symmetric inner functions for a family of (completely rational) conformal nets which can be obtained by starting with nets of real subspaces, passing to its second quantization nets and taking local extensions of the former. This family is precisely the family of conformal nets associated with lattices, which as we show contains as a special case the level 1 loop group nets of simply connected, simply laced groups. Further examples come from the loop group net of {Spin(n)} at level 2 using the orbifold construction.

  17. Self-Disclosure in Unsupervised Groups: Effects of Videotaped Models

    ERIC Educational Resources Information Center

    Annis, Lawrence V.; Perry, Donald F.

    1978-01-01

    Productive psychotherapy involves willingness of client to reveal information and concealed feelings. Videotape is used to elicit modeling behavior. This study contrasts videotape in contrast to audiotape in eliciting self-disclosure. (MFD)

  18. Model Selection and Hypothesis Testing for Large-Scale Network Models with Overlapping Groups

    NASA Astrophysics Data System (ADS)

    Peixoto, Tiago P.

    2015-01-01

    The effort to understand network systems in increasing detail has resulted in a diversity of methods designed to extract their large-scale structure from data. Unfortunately, many of these methods yield diverging descriptions of the same network, making both the comparison and understanding of their results a difficult challenge. A possible solution to this outstanding issue is to shift the focus away from ad hoc methods and move towards more principled approaches based on statistical inference of generative models. As a result, we face instead the more well-defined task of selecting between competing generative processes, which can be done under a unified probabilistic framework. Here, we consider the comparison between a variety of generative models including features such as degree correction, where nodes with arbitrary degrees can belong to the same group, and community overlap, where nodes are allowed to belong to more than one group. Because such model variants possess an increasing number of parameters, they become prone to overfitting. In this work, we present a method of model selection based on the minimum description length criterion and posterior odds ratios that is capable of fully accounting for the increased degrees of freedom of the larger models and selects the best one according to the statistical evidence available in the data. In applying this method to many empirical unweighted networks from different fields, we observe that community overlap is very often not supported by statistical evidence and is selected as a better model only for a minority of them. On the other hand, we find that degree correction tends to be almost universally favored by the available data, implying that intrinsic node proprieties (as opposed to group properties) are often an essential ingredient of network formation.

  19. Integrated wetland management: an analysis with group model building based on system dynamics model.

    PubMed

    Chen, Hsin; Chang, Yang-Chi; Chen, Kung-Chen

    2014-12-15

    The wetland system possesses diverse functions such as preserving water sources, mediating flooding, providing habitats for wildlife and stabilizing coastlines. Nonetheless, rapid economic growth and the increasing population have significantly deteriorated the wetland environment. To secure the sustainability of the wetland, it is essential to introduce integrated and systematic management. This paper examines the resource management of the Jiading Wetland by applying group model building (GMB) and system dynamics (SD). We systematically identify local stakeholders' mental model regarding the impact brought by the yacht industry, and further establish a SD model to simulate the dynamic wetland environment. The GMB process improves the stakeholders' understanding about the interaction between the wetland environment and management policies. Differences between the stakeholders' perceptions and the behaviors shown by the SD model also suggest that our analysis would facilitate the stakeholders to broaden their horizons and achieve consensus on the wetland resource management. PMID:25194518

  20. Response Grouping in the Psychological Refractory Period (PRP) Paradigm: Models and Contamination Effects

    ERIC Educational Resources Information Center

    Ulrich, Rolf; Miller, Jeff

    2008-01-01

    Response grouping is a ubiquitous phenomenon in psychological refractory period (PRP) tasks, yet it hampers the analysis of dual-task performance. To account for response grouping, we developed several extended versions of the standard bottleneck model, each of which incorporates a possible grouping mechanism into this model. Computer simulations…

  1. Group-kinetic theory and modeling of atmospheric turbulence

    NASA Technical Reports Server (NTRS)

    Tchen, C. M.

    1989-01-01

    A group kinetic method is developed for analyzing eddy transport properties and relaxation to equilibrium. The purpose is to derive the spectral structure of turbulence in incompressible and compressible media. Of particular interest are: direct and inverse cascade, boundary layer turbulence, Rossby wave turbulence, two phase turbulence; compressible turbulence, and soliton turbulence. Soliton turbulence can be found in large scale turbulence, turbulence connected with surface gravity waves and nonlinear propagation of acoustical and optical waves. By letting the pressure gradient represent the elementary interaction among fluid elements and by raising the Navier-Stokes equation to higher dimensionality, the master equation was obtained for the description of the microdynamical state of turbulence.

  2. Automorphism groups of composition algebras and quark models

    SciTech Connect

    Bjerregard, P.A.; Gonzalez, C.M.

    1996-12-01

    In this the authors study the automorphisms and derivations of real composition algebras with a view to its physical interpretations. They obtain canonical forms with a special stress in the four and eight dimensional cases. Also, using this description, they work with two mathematical models which describe some particles with certain observables in a surprising way. A first model, split g{sub 2}, describes two observables for three quarks, their antiquarks, and eight mesons combining the quarks involved. A second one, so(4,4) {circle_plus} so(2,2), describes all the observables for all quarks (u, d, s, c, b and t).

  3. Current plate motions. [continental groupings and global modelling

    NASA Technical Reports Server (NTRS)

    Demets, C.; Gordon, R. G.; Argus, D. F.; Stein, S.

    1990-01-01

    A global plate motion model, named NUVEL-1, which describes current plate motions between 12 rigid plates is described, with special attention given to the method, data, and assumptions used. Tectonic implications of the patterns that emerged from the results are discussed. It is shown that wide plate boundary zones can form not only within the continental lithosphere but also within the oceanic lithosphere; e.g., between the Indian and Australian plates and between the North American and South American plates. Results of the model also suggest small but significant diffuse deformation of the oceanic lithosphere, which may be confined to small awkwardly shaped salients of major plates.

  4. Childhood Roles and the Interpersonal Circle: A Model for ACOA Groups.

    ERIC Educational Resources Information Center

    Harris, Sandra A.

    1996-01-01

    Combining childhood roles and interpersonal theory produces a schematic model that includes all adult children of alcoholics, enhances understanding of the group dynamic, and suggests specific group treatment strategies. (Author)

  5. Inverse scattering for a specific resonating group model nonlocality

    SciTech Connect

    Pantis, G.; Sofianos, S.A.

    1996-10-01

    An inverse scattering method of Lipperheide and Fiedeldey [Z. Phys. A {bold 286}, 45 (1978); {bold 301}, 81 (1981)] has been used to construct an energy-dependent potential from the elastic-scattering phase shifts of the recently developed {ital K} model of Kaneko, LeMere, and Tang [Phys. Rev. C {bold 44}, 1588 (1991); {bold 46}, 298 (1992)] for the {ital n}{minus}{alpha} and {ital n}{minus}{sup 40}Ca systems. The local momentum of the inversion potential is subsequently used to recover the Wigner transforms of the {ital K} model. The results obtained indicate that it is possible to find, via inversion, an {ital l}-independent Wigner transform, which, when calculated at all energies, can provide us with the full nonlocality. {copyright} {ital 1996 The American Physical Society.}

  6. Inverse scattering for a specific resonating group model nonlocality

    NASA Astrophysics Data System (ADS)

    Pantis, G.; Sofianos, S. A.

    1996-10-01

    An inverse scattering method of Lipperheide and Fiedeldey [Z. Phys. A 286, 45 (1978); 301, 81 (1981)] has been used to construct an energy-dependent potential from the elastic-scattering phase shifts of the recently developed K model of Kaneko, LeMere, and Tang [Phys. Rev. C 44, 1588 (1991); 46, 298 (1992)] for the n-α and n-40Ca systems. The local momentum of the inversion potential is subsequently used to recover the Wigner transforms of the K model. The results obtained indicate that it is possible to find, via inversion, an l-independent Wigner transform, which, when calculated at all energies, can provide us with the full nonlocality.

  7. External validation of bifactor model of ADHD: explaining heterogeneity in psychiatric comorbidity, cognitive control, and personality trait profiles within DSM-IV ADHD.

    PubMed

    Martel, Michelle M; Roberts, Bethan; Gremillion, Monica; von Eye, Alexander; Nigg, Joel T

    2011-11-01

    The current paper provides external validation of the bifactor model of ADHD by examining associations between ADHD latent factor/profile scores and external validation indices. 548 children (321 boys; 302 with ADHD), 6 to 18 years old, recruited from the community participated in a comprehensive diagnostic procedure. Mothers completed the Child Behavior Checklist, Early Adolescent Temperament Questionnaire, and California Q-Sort. Children completed the Stop and Trail-Making Task. Specific inattention was associated with depression/withdrawal, slower cognitive task performance, introversion, agreeableness, and high reactive control; specific hyperactivity-impulsivity was associated with rule-breaking/aggressive behavior, social problems, errors during set-shifting, extraversion, disagreeableness, and low reactive control. It is concluded that the bifactor model provides better explanation of heterogeneity within ADHD than DSM-IV ADHD symptom counts or subtypes. PMID:21735050

  8. Asymptotic distribution of stage-grouped population models.

    PubMed

    Zetlaoui, M; Picard, N; Bar-Hen, A

    2006-03-01

    Matrix models are often used to predict the dynamics of size-structured or age-structured populations. The asymptotic behaviour of such models is defined by their malthusian growth rate lambda, and by their stationary distribution w that gives the asymptotic proportion of individuals in each stage. As the coefficients of the transition matrix are estimated from a sample of observations, lambda and w can be considered as random variables whose law depends on the distribution of the observations. The goal of this study is to specify the asymptotic law of lambda and w when using the maximum likelihood estimators of the coefficients of the transition matrix. We prove that lambda and w are asymptotically normal, and the expressions of the asymptotic variance of lambda and of the asymptotic covariance matrix of w are given. The convergence speed of lambda and w towards their asymptotic law is studied using simulations. The results are applied to a real case study that consists of a Usher model for a tropical rain forest in French Guiana. They permit to assess the number of trees to measure to get a given precision on the estimated asymptotic diameter distribution, which is an important information on tropical forest management. PMID:16427655

  9. A Structural Equation Model at the Individual and Group Level for Assessing Faking-Related Change

    ERIC Educational Resources Information Center

    Ferrando, Pere Joan; Anguiano-Carrasco, Cristina

    2011-01-01

    This article proposes a comprehensive approach based on structural equation modeling for assessing the amount of trait-level change derived from faking-motivating situations. The model is intended for a mixed 2-wave 2-group design, and assesses change at both the group and the individual level. Theoretically the model adopts an integrative…

  10. Administration of a DPP-IV Inhibitor Enhances the Intestinal Adaptation in a Mouse Model of Short Bowel Syndrome

    PubMed Central

    Okawada, Manabu; Holst, Jens J.; Teitelbaum, Daniel H.

    2011-01-01

    Background Glucagon-like peptide-2(GLP-2) induces small intestine mucosal epithelial cell (EC) proliferation; and may have benefit for patients suffering from short bowel syndrome (SBS). However, GLP-2 is rapidly inactivated in vivo by dipeptidyl peptidase IV (DPPIV). Therefore, we hypothesized that selectively inhibiting DPPIV would prolong the circulating life of GLP-2 and lead to increased intestinal adaptation after development of SBS. Methods 8-week old C57BL/6J mice underwent a 50% proximal small bowel resection and were treated with either sitagliptin, a DPPIV-inhibitor (DPPIV-I), starting 1 day before surgery versus placebo. DPPIV-I efficacy was assessed 3 days after resection, including intestinal morphology, EC apoptosis and EC proliferation. Adaptive mechanisms were assessed with quantitative real-time PCR, and plasma bioactive GLP-2 was measured by radioimmunoassay. RESULT Body weight loss and peripheral blood glucose levels did not change compared to SBS controls. DPPIV-I treatment led to significant increases in villus height and crypt depth. DPPIV-I treatment did not significantly change EC apoptosis rates, but significantly increased crypt EC proliferation versus placebo-SBS controls. DPPIV-I treatment markedly increased mRNA expression of β-catenin and c-myc in ileal mucosa. Plasma GLP-2 levels significantly increased(~40.9%) in DPPIV-I-SBS mice. Conclusions DPPIV- I treatment increased SBS adaptation, and may potentially be useful for SBS patients. PMID:21719060

  11. Zebrafish as a model for apolipoprotein biology: comprehensive expression analysis and a role for ApoA-IV in regulating food intake

    PubMed Central

    Otis, Jessica P.; Zeituni, Erin M.; Thierer, James H.; Anderson, Jennifer L.; Brown, Alexandria C.; Boehm, Erica D.; Cerchione, Derek M.; Ceasrine, Alexis M.; Avraham-Davidi, Inbal; Tempelhof, Hanoch; Yaniv, Karina; Farber, Steven A.

    2015-01-01

    Improved understanding of lipoproteins, particles that transport lipids throughout the circulation, is vital to developing new treatments for the dyslipidemias associated with metabolic syndrome. Apolipoproteins are a key component of lipoproteins. Apolipoproteins are proteins that structure lipoproteins and regulate lipid metabolism through control of cellular lipid exchange. Constraints of cell culture and mouse models mean that there is a need for a complementary model that can replicate the complex in vivo milieu that regulates apolipoprotein and lipoprotein biology. Here, we further establish the utility of the genetically tractable and optically clear larval zebrafish as a model of apolipoprotein biology. Gene ancestry analyses were implemented to determine the closest human orthologs of the zebrafish apolipoprotein A-I (apoA-I), apoB, apoE and apoA-IV genes and therefore ensure that they have been correctly named. Their expression patterns throughout development were also analyzed, by whole-mount mRNA in situ hybridization (ISH). The ISH results emphasized the importance of apolipoproteins in transporting yolk and dietary lipids: mRNA expression of all apolipoproteins was observed in the yolk syncytial layer, and intestinal and liver expression was observed from 4–6 days post-fertilization (dpf). Furthermore, real-time PCR confirmed that transcription of three of the four zebrafish apoA-IV genes was increased 4 hours after the onset of a 1-hour high-fat feed. Therefore, we tested the hypothesis that zebrafish ApoA-IV performs a conserved role to that in rat in the regulation of food intake by transiently overexpressing ApoA-IVb.1 in transgenic larvae and quantifying ingestion of co-fed fluorescently labeled fatty acid during a high-fat meal as an indicator of food intake. Indeed, ApoA-IVb.1 overexpression decreased food intake by approximately one-third. This study comprehensively describes the expression and function of eleven zebrafish apolipoproteins

  12. Zebrafish as a model for apolipoprotein biology: comprehensive expression analysis and a role for ApoA-IV in regulating food intake.

    PubMed

    Otis, Jessica P; Zeituni, Erin M; Thierer, James H; Anderson, Jennifer L; Brown, Alexandria C; Boehm, Erica D; Cerchione, Derek M; Ceasrine, Alexis M; Avraham-Davidi, Inbal; Tempelhof, Hanoch; Yaniv, Karina; Farber, Steven A

    2015-03-01

    Improved understanding of lipoproteins, particles that transport lipids throughout the circulation, is vital to developing new treatments for the dyslipidemias associated with metabolic syndrome. Apolipoproteins are a key component of lipoproteins. Apolipoproteins are proteins that structure lipoproteins and regulate lipid metabolism through control of cellular lipid exchange. Constraints of cell culture and mouse models mean that there is a need for a complementary model that can replicate the complex in vivo milieu that regulates apolipoprotein and lipoprotein biology. Here, we further establish the utility of the genetically tractable and optically clear larval zebrafish as a model of apolipoprotein biology. Gene ancestry analyses were implemented to determine the closest human orthologs of the zebrafish apolipoprotein A-I (apoA-I), apoB, apoE and apoA-IV genes and therefore ensure that they have been correctly named. Their expression patterns throughout development were also analyzed, by whole-mount mRNA in situ hybridization (ISH). The ISH results emphasized the importance of apolipoproteins in transporting yolk and dietary lipids: mRNA expression of all apolipoproteins was observed in the yolk syncytial layer, and intestinal and liver expression was observed from 4-6 days post-fertilization (dpf). Furthermore, real-time PCR confirmed that transcription of three of the four zebrafish apoA-IV genes was increased 4 hours after the onset of a 1-hour high-fat feed. Therefore, we tested the hypothesis that zebrafish ApoA-IV performs a conserved role to that in rat in the regulation of food intake by transiently overexpressing ApoA-IVb.1 in transgenic larvae and quantifying ingestion of co-fed fluorescently labeled fatty acid during a high-fat meal as an indicator of food intake. Indeed, ApoA-IVb.1 overexpression decreased food intake by approximately one-third. This study comprehensively describes the expression and function of eleven zebrafish apolipoproteins and

  13. Secondary flow structures in the presence of Type-IV stent fractures through a bent tube model for curved arteries: Effect of circulation thresholding

    NASA Astrophysics Data System (ADS)

    Hussain, Shadman; Bulusu, Kartik V.; Plesniak, Michael W.

    2013-11-01

    A common treatment for atherosclerosis is the opening of narrowed arteries resulting from obstructive lesions by angioplasty and stent implantation to restore unrestricted blood flow. ``Type-IV'' stent fractures involve complete transverse, linear fracture of stent struts, along with displacement of the stent fragments. Experimental data pertaining to secondary flows in the presence of stents that underwent ``Type-IV'' fractures in a bent artery model under physiological inflow conditions were obtained through a two-component, two-dimensional (2C-2D) PIV technique. Concomitant stent-induced flow perturbations result in secondary flow structures with complex, multi-scale morphologies and varying size-strength characteristics. Ultimately, these flow structures may have a role to play in restenosis and progression of atherosclerotic plaque. Vortex circulation thresholds were established with the goal of resolving and tracking iso-circulation secondary flow vortical structures and their morphological changes. This allowed for a parametric evaluation and quantitative representation of secondary flow structures undergoing deformation and spatial reorganization. Supported by NSF Grant No. CBET- 0828903 and GW Center for Biomimetics and Bioinspired Engineering.

  14. Energy levels and lifetimes of Nd IV, Pm IV, Sm IV, and Eu IV

    SciTech Connect

    Dzuba, V. A.; Safronova, U. I.; Johnson, W. R.

    2003-09-01

    To address the shortage of experimental data for electron spectra of triply ionized rare-earth elements we have calculated energy levels and lifetimes of 4f{sup n+1} and 4f{sup n}5d configurations of Nd IV (n=2), Pm IV (n=3), Sm IV (n=4), and Eu IV (n=5) using Hartree-Fock and configuration-interaction methods. To control the accuracy of our calculations we also performed similar calculations for Pr III, Nd III, and Sm III, for which experimental data are available. The results are important, in particular, for physics of magnetic garnets.

  15. Modeling platinum group metal complexes in aqueous solution.

    PubMed

    Lienke, A; Klatt, G; Robinson, D J; Koch, K R; Naidoo, K J

    2001-05-01

    We construct force fields suited for the study of three platinum group metals (PGM) as chloranions in aqueous solution from quantum chemical computations and report experimental data. Density functional theory (DFT) using the local density approximation (LDA), as well as extended basis sets that incorporate relativistic corrections for the transition metal atoms, has been used to obtain equilibrium geometries, harmonic vibrational frequencies, and atomic charges for the complexes. We found that DFT calculations of [PtCl(6)](2-).3H(2)O, [PdCl(4)](2-).2H(2)O, and [RhCl(6)](3-).3H(2)O water clusters compared well with molecular mechanics (MM) calculations using the specific force field developed here. The force field performed equally well in condensed phase simulations. A 500 ps molecular dynamics (MD) simulation of [PtCl(6)](2-) in water was used to study the structure of the solvation shell around the anion. The resulting data were compared to an experimental radial distribution function derived from X-ray diffraction experiments. We found the calculated pair correlation functions (PCF) for hexachloroplatinate to be in good agreement with experiment and were able to use the simulation results to identify and resolve two water-anion peaks in the experimental spectrum. PMID:11327912

  16. Modeling the Collective Strategic Searching of Artificial Insurgent Groups: A Particle Swarm Approach

    SciTech Connect

    Cui, Xiaohui; Potok, Thomas E

    2007-01-01

    A swarm based social adaptive model is proposed to model multiple insurgent groups?strategy searching in a dynamic changed environment. This report presents a pilot study on using the particle swarm modeling, a widely used non-linear optimal tool, to model the emergence of insurgency campaign. The objective of this research is to apply the particle swarm metaphor as a model of insurgent social adaptation for the dynamic environment and to provide insight and understanding of insurgent group strategic adaptation.

  17. A Three-groups Model for High Throughput Survival Screens

    PubMed Central

    Shaby, Benjamin A.; Skibinski, Gaia; Ando, Michael; LaDow, Eva S.; Finkbeiner, Steven

    2016-01-01

    Summary Amyotrophic lateral sclerosis (ALS) is a neurodegenerative condition characterized by the progressive deterioration of motor neurons in the cortex and spinal cord. Using an automated robotic microscope platform that enables the longitudinal tracking of thousands of single neurons, we examine the effects a large library of compounds on modulating the survival of primary neurons expressing a mutation known to cause ALS. The goal of our analysis is to identify the few potentially beneficial compounds among the many assayed, the vast majority of which do not extend neuronal survival. This resembles the large-scale simultaneous inference scenario familiar from microarray analysis, but transferred to the survival analysis setting due to the novel experimental setup. We apply a three component mixture model to censored survival times of thousands of individual neurons subjected to hundreds of different compounds. The shrinkage induced by our model significantly improves performance in simulations relative to performing treatment-wise survival analysis and subsequent multiple testing adjustment. Our analysis identified compounds that provide insight into potential novel therapeutic strategies for ALS. PMID:26821783

  18. Phenomenological Modelling of a Group of Eclipsing Binary Stars

    NASA Astrophysics Data System (ADS)

    Andronov, Ivan L.; Tkachenko, Mariia G.; Chinarova, Lidia L.

    2016-03-01

    Phenomenological modeling of variable stars allows determination of a set of the parameters, which are needed for classification in the "General Catalogue of Variable Stars" and similar catalogs. We apply a recent method NAV ("New Algol Variable") to eclipsing binary stars of different types. Although all periodic functions may be represented as Fourier series with an infinite number of coefficients, this is impossible for a finite number of the observations. Thus one may use a restricted Fourier series, i.e. a trigonometric polynomial (TP) of order s either for fitting the light curve, or to make a periodogram analysis. However, the number of parameters needed drastically increases with decreasing width of minimum. In the NAV algorithm, the special shape of minimum is used, so the number of parameters is limited to 10 (if the period and initial epoch are fixed) or 12 (not fixed). We illustrate the NAV method by application to a recently discovered Algol-type eclipsing variable 2MASS J11080308-6145589 (in the field of previously known variable star RS Car) and compare results to that obtained using the TP fits. For this system, the statistically optimal number of parameters is 44, but the fit is still worse than that of the NAV fit. Application to the system GSC 3692-00624 argues that the NAV fit is better than the TP one even for the case of EW-type stars with much wider eclipses. Model parameters are listed.

  19. Shatavarins (containing Shatavarin IV) with anticancer activity from the roots of Asparagus racemosus

    PubMed Central

    Mitra, Shankar K.; Prakash, Neswi S.; Sundaram, Ramachandran

    2012-01-01

    Objectives: The anticancer activity of shatavarins (containing shatavarin IV) isolated from the roots of Asparagus racemosus (Wild) was evaluated using in vitro and in vivo experimental models. Material and Methods: The shatavarin IV was isolated from ethyl acetate insoluble fraction (AR-2B) of chloroform:methanol (2:1) (AR-2) extract of A. racemosus roots. The cytotoxicity (in vitro) of shatavarin IV and other shatavarins rich fraction was carried out using of MTT assay using MCF-7 (human breast cancer), HT-29 (human colon adenocarcinoma), and A-498 (human kidney carcinoma) cell lines. The in vivo anticancer activity of shatavarins (containing shatavarin IV) was evaluated against Ehrlich ascites carcinoma (EAC) tumor bearing mice. Results: The isolated shatavarin IV (84.69 %) along with shatavarins rich fraction, coded AR-2B containing 5.05% shatavarin IV showed potent cytotoxicity. Oral administration of AR-2B to tumor bearing mice at doses of 250 and 500 mg/kg body weight for 10 days, showed significant reduction in percent increase in body weight, tumor volume, packed cell volume, viable tumor cell count, and increased non-viable cell count when compared to the untreated mice of the EAC control group. The restoration of hematological parameters towards normalcy was also observed. Conclusion: The result suggests that the shatavarins (containing shatavarin IV) rich fraction (AR-2B) exhibits significant anticancer activity in both in vitro and in vivo experimental models. PMID:23248403

  20. Oxidovanadium(IV) complexes with chrysin and silibinin: anticancer activity and mechanisms of action in a human colon adenocarcinoma model.

    PubMed

    León, I E; Cadavid-Vargas, J F; Tiscornia, I; Porro, V; Castelli, S; Katkar, P; Desideri, A; Bollati-Fogolin, M; Etcheverry, S B

    2015-10-01

    Vanadium compounds were studied during recent years to be considered as a representative of a new class of nonplatinum metal antitumor agents in combination to its low toxicity. On the other hand, flavonoids are a wide family of polyphenolic compounds synthesized by plants that display many interesting biological effects. Since coordination of ligands to metals can improve the pharmacological properties, we report herein, for the first time, a exhaustive study of the mechanisms of action of two oxidovanadium(IV) complexes with the flavonoids: silibinin Na₂[VO(silibinin)₂2]·6H₂O (VOsil) and chrysin [VO(chrysin)₂EtOH]₂(VOchrys) on human colon adenocarcinoma derived cell line HT-29. The complexes inhibited the cell viability of colon adenocarcinoma cells in a dose dependent manner with a greater potency than that the free ligands and free metal, demonstrating the benefit of complexation. The decrease of the ratio of the amount of reduced glutathione to the amount of oxidized glutathione were involved in the deleterious effects of both complexes. Besides, VOchrys caused cell cycle arrest in G2/M phase while VOsil activated caspase 3 and triggering the cells directly to apoptosis. Moreover, VOsil diminished the NF-kB activation via increasing the sensitivity of cells to apoptosis. On the other hand, VOsil inhibited the topoisomerase IB activity concluding that this is important target involved in the anticancer vanadium effects. As a whole, the results presented herein demonstrate that VOsil has a stronger deleterious action than VOchrys on HT-29 cells, whereby suggesting that Vosil is the potentially best candidate for future use in alternative anti-tumor treatments. PMID:26404080

  1. Using PLATO IV.

    ERIC Educational Resources Information Center

    Meller, David V.

    This beginning reference manual describes PLATO IV hardware for prospective users and provides an introduction to PLATO for new authors. The PLATO terminal is described in detail in Chapter 1. Chapter 2 provides a block diagram of the PLATO IV system. Procedures for getting on line are described in Chapter 3, and Chapter 4 provides references to…

  2. IV treatment at home

    MedlinePlus

    ... 24 hours a day. If there is a problem with the IV, you can call your home health care agency for help. If the IV comes out of ... bleeding stops. Then call the home health care agency or the doctor right away.

  3. The Purex thermodynamics of plutonium(IV) and uranium(VI) macroconcentrations coextraction into tri-n butylphosphate: new data and new models

    NASA Astrophysics Data System (ADS)

    Renard, Ed. V.; Chizhov, A. A.; Vlasov, V. S.

    1995-05-01

    The modern worldwide Purex technology (spent nuclear fuel reprocessing) is based on solvent extraction of actinides (U, Pu) in a system with aqueous nitric acid solutions and organic (n-paraffins) solutions of tri-n-butylphosphate (TBP). To the creation of a universal mathematical process model contributes - first of all - the knowledge of uranium(VI), plutonium(IV) and nitric acid equilibrated distribution data. Further should be included the field of all the technological ("know-how") operations, in particular, so-called strong-and-weak-acid and high-and-ambient-temperature scrubs of the actinide bearing organic phase. To enrich the Purex data base with additional information the new original values of equilibrium distribution coefficients of Pu(IV) (0.06-28 g/ l), U(VI) (0.18-150 g/ l) and nitric acid (0.01-10.5 mol/ l) (in all the cases - equilibrated aqueous phase concentrations) - at reliable organic solution homogeneity (i.e. without "third" phase formation phenomena) were obtained. Those results include data at 25 and 60°C, of 20 and 30 vol% TBP (in n-dodecane). All the analyses of the metal content were performed using original gamma-spectrometric procedure of simultaneous U and Pu determination. Using both obtained data and known results (no less than 700 "systems" type of "U(VI)-Pu(IV)-water-nitric acid-TBP-n-dodecane") the simple regressive equations (two third-power polynominal series) were developed, which with an accuracy better than ± 8% permit to calculate the distribution of the three mentioned components. The developed equations of the concentration dependence of the distribution coefficients ( D) for all the components have the general form: In D n = limit∑i=03limit∑k=03limit∑m=03 ∏( ln[U]) i( ln[Pu]) k( ln[HNO 3] ) m, where i+ K+ m⩽3; n = Pu, U, HNO 3. The high performance models are recommended for development of operating programs - as a modifier of today's Purex performance.

  4. Applications of multivariate modeling to neuroimaging group analysis: A comprehensive alternative to univariate general linear model

    PubMed Central

    Chen, Gang; Adleman, Nancy E.; Saad, Ziad S.; Leibenluft, Ellen; Cox, RobertW.

    2014-01-01

    All neuroimaging packages can handle group analysis with t-tests or general linear modeling (GLM). However, they are quite hamstrung when there are multiple within-subject factors or when quantitative covariates are involved in the presence of a within-subject factor. In addition, sphericity is typically assumed for the variance–covariance structure when there are more than two levels in a within-subject factor. To overcome such limitations in the traditional AN(C)OVA and GLM, we adopt a multivariate modeling (MVM) approach to analyzing neuroimaging data at the group level with the following advantages: a) there is no limit on the number of factors as long as sample sizes are deemed appropriate; b) quantitative covariates can be analyzed together with within- subject factors; c) when a within-subject factor is involved, three testing methodologies are provided: traditional univariate testing (UVT)with sphericity assumption (UVT-UC) and with correction when the assumption is violated (UVT-SC), and within-subject multivariate testing (MVT-WS); d) to correct for sphericity violation at the voxel level, we propose a hybrid testing (HT) approach that achieves equal or higher power via combining traditional sphericity correction methods (Greenhouse–Geisser and Huynh–Feldt) with MVT-WS. PMID:24954281

  5. The Achieving Success Everyday Group Counseling Model: Fostering Resiliency in Middle School Students

    ERIC Educational Resources Information Center

    Rose, Joy; Steen, Sam

    2015-01-01

    This article discusses a group counseling intervention used to develop and foster resiliency in middle school students by implementing the Achieving Success Everyday (ASE) group counseling model. The authors aimed to discover what impact this group counseling intervention, which focused on resiliency characteristics, would have on students'…

  6. Examination of a Group Counseling Model of Career Decision Making with College Students

    ERIC Educational Resources Information Center

    Rowell, P. Clay; Mobley, A. Keith; Kemer, Gulsah; Giordano, Amanda

    2014-01-01

    The authors examined the effectiveness of a group career counseling model (Pyle, K. R., 2007) on college students' career decision-making abilities. They used a Solomon 4-group design and found that students who participated in the career counseling groups had significantly greater increases in career decision-making abilities than those who…

  7. A model parent group for enhancing aggressive children's social competence in Taiwan.

    PubMed

    Li, Ming-Hui

    2009-07-01

    This paper presents a semi-structured psychoeducational model of group work for parents of aggressive children based on concepts of co-parenting and bidirectionality. The group was developed for enhancing five Taiwanese aggressive children's social competence by promoting positive interactions within family. Topics covered in the group included identifying parenting styles, forming parental alliances, fostering parent-child mutual initiations/mutual compliances, establishing parent-child co-regulation, and responding to aggressive children's negative emotions. Pre- and post-group comparisons suggested the effectiveness of the group model. PMID:19548787

  8. Projection models for health effects assessment in populations exposed to radioactive and nonradioactive pollutants. Volume IV. SPAHR user's guide

    SciTech Connect

    Collins, J.J.; Lundy, R.T.

    1982-09-01

    The Simulation Package for the Analysis of Health Risk (SPAHR) is a computer software package based upon a demographic model for health risk projections. The model extends several health risk projection models by making realistic assumptions about the population at risk, and thus represents a distinct improvement over previous models. Complete documentation for use of SPAHR is contained in this five-volume publication. The demographic model in SPAHR estimates population response to environmental toxic exposures. Latency of response, changing dose level over time, competing risks from other causes of death, and population structure can be incorporated into SPAHR to project health risks. Risks are measured by morbid years, number of deaths, and loss of life expectancy. Comparisons of estimates of excess deaths demonstrate that previous health risk projection models may have underestimated excess deaths by a factor of from 2 to 10, depending on the pollutant and the exposure scenario. The software supporting the use of the demographic model is designed to be user oriented. Complex risk projections are made by responding to a series of prompts generated by the package. The flexibility and ease of use of SPAHR make it an important contribution to existing models and software packages. This volume gives the more advanced user of the SPAHR computer package the information required to create tailor-made programs for addressing specific issues not covered by the three interactive packages. It assumes that the user is familiar with the concepts and terms relating to demography and health risk assessment.

  9. The Family FIRO Model: The Integration of Group Theory and Family Theory.

    ERIC Educational Resources Information Center

    Colangelo, Nicholas; Doherty, William J.

    1988-01-01

    Presents the Family Fundamental Interpersonal Relations Orientation (Family FIRO) Model, an integration of small-group theory and family therapy. The model is offered as a framework for organizing family issues. Discusses three fundamental issues of human relatedness and their applicability to group dynamics. (Author/NB)

  10. Legal Implications of Models of Individual and Group Treatment by Professionals.

    ERIC Educational Resources Information Center

    Lynch, Patrick D.

    Although medical malpractice suits are based on a model of treatment of an individual by a professional, educational malpractice suits are based on a group treatment model. When the medical model and the teaching model are compared, the contrasts are so great that medical malpractice principles are not a reliable guide to the emerging law of…

  11. Modelling extracellular electrical stimulation: IV. Effect of the cellular composition of neural tissue on its spatio-temporal filtering properties

    NASA Astrophysics Data System (ADS)

    Tahayori, Bahman; Meffin, Hamish; Sergeev, Evgeni N.; Mareels, Iven M. Y.; Burkitt, Anthony N.; Grayden, David B.

    2014-12-01

    Objective. The objective of this paper is to present a concrete application of the cellular composite model for calculating the membrane potential, described in an accompanying paper. Approach. A composite model that is used to determine the membrane potential for both longitudinal and transverse modes of stimulation is demonstrated. Main results. Two extreme limits of the model, near-field and far-field for an electrode close to or distant from a neuron, respectively, are derived in this paper. Results for typical neural tissue are compared using the composite, near-field and far-field models as well as the standard isotropic volume conductor model. The self-consistency of the composite model, its spatial profile response and the extracellular potential time behaviour are presented. The magnitudes of the longitudinal and transverse components for different values of electrode-neurite separations are compared. Significance. The unique features of the composite model and its simplified versions can be used to accurately estimate the spatio-temporal response of neural tissue to extracellular electrical stimulation.

  12. VizieR Online Data Catalog: STAGGER-grid of 3D stellar models. IV. (Magic+, 2015)

    NASA Astrophysics Data System (ADS)

    Magic, Z.; Chiavassa, A.; Collet, R.; Asplund, M.

    2014-10-01

    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. 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 7000K, logg from 1.5 to 5.0, and [Fe/H], from -4.0 to +0.5. From the resulting intensities at different wavelength, 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. (1 data file).

  13. Theoretical assessment of the electro-optical features of the group III nitrides (B12N12, Al12N12 and Ga12N12) and group IV carbides (C24, Si12C12 and Ge12C12) nanoclusters encapsulated with alkali metals (Li, Na and K)

    NASA Astrophysics Data System (ADS)

    Tahmasebi, Elham; Shakerzadeh, Ehsan; Biglari, Zeinab

    2016-02-01

    Density functional theory (DFT) calculations have been carried out to study the influence of alkali metals (Li, Na and K) encapsulation within the group III nitrides (B12N12, Al12N12 and Ga12N12) and the group IV carbides (C24, Si12C12and Ge12C12) nanoclusters. The encapsulation of Li, Na and K atoms is found to narrow the HOMO-LUMO gaps of the considered clusters. The electronic properties of these clusters, especially the group III nitrides nanoclusters, are strongly sensitive to interaction with the alkali metals. Moreover it is observed that the encapsulation of alkali metals enhances the first hyperpolarizabilities of B12N12 nanocluster. Surprisingly, due to the alkali metals encapsulation within B12N12 nanocluster, the first hyperpolarizability values are remarkably increased to 8505.49 and 122,503.76 a.u. for Na@B12N12 and K@B12N12, respectively. Also the TD-DFT calculations at both CAM-B3LYP/6-311+G(d) and PBE0/6-311+G(d) levels of theory are also performed to investigate the origin of first hyperpolarizabilities.

  14. Experimental Investigation of Secondary Flow Structures Downstream of a Model Type IV Stent Failure in a 180° Curved Artery Test Section.

    PubMed

    Bulusu, Kartik V; Plesniak, Michael W

    2016-01-01

    The arterial network in the human vasculature comprises of ubiquitously present blood vessels with complex geometries (branches, curvatures and tortuosity). Secondary flow structures are vortical flow patterns that occur in curved arteries due to the combined action of centrifugal forces, adverse pressure gradients and inflow characteristics. Such flow morphologies are greatly affected by pulsatility and multiple harmonics of physiological inflow conditions and vary greatly in size-strength-shape characteristics compared to non-physiological (steady and oscillatory) flows (1 - 7). Secondary flow structures may ultimately influence the wall shear stress and exposure time of blood-borne particles toward progression of atherosclerosis, restenosis, sensitization of platelets and thrombosis (4 - 6, 8 - 13). Therefore, the ability to detect and characterize these structures under laboratory-controlled conditions is precursor to further clinical investigations. A common surgical treatment to atherosclerosis is stent implantation, to open up stenosed arteries for unobstructed blood flow. But the concomitant flow perturbations due to stent installations result in multi-scale secondary flow morphologies (4 - 6). Progressively higher order complexities such as asymmetry and loss in coherence can be induced by ensuing stent failures vis-à-vis those under unperturbed flows (5). These stent failures have been classified as "Types I-to-IV" based on failure considerations and clinical severity (14). This study presents a protocol for the experimental investigation of the complex secondary flow structures due to complete transverse stent fracture and linear displacement of fractured parts ("Type IV") in a curved artery model. The experimental method involves the implementation of particle image velocimetry (2C-2D PIV) techniques with an archetypal carotid artery inflow waveform, a refractive index matched blood-analog working fluid for phase-averaged measurements (15 - 18

  15. A simple model of group selection that cannot be analyzed with inclusive fitness.

    PubMed

    van Veelen, Matthijs; Luo, Shishi; Simon, Burton

    2014-11-01

    A widespread claim in evolutionary theory is that every group selection model can be recast in terms of inclusive fitness. Although there are interesting classes of group selection models for which this is possible, we show that it is not true in general. With a simple set of group selection models, we show two distinct limitations that prevent recasting in terms of inclusive fitness. The first is a limitation across models. We show that if inclusive fitness is to always give the correct prediction, the definition of relatedness needs to change, continuously, along with changes in the parameters of the model. This results in infinitely many different definitions of relatedness - one for every parameter value - which strips relatedness of its meaning. The second limitation is across time. We show that one can find the trajectory for the group selection model by solving a partial differential equation, and that it is mathematically impossible to do this using inclusive fitness. PMID:25034338

  16. Synthetic photometry for carbon-rich giants. IV. An extensive grid of dynamic atmosphere and wind models

    NASA Astrophysics Data System (ADS)

    Eriksson, K.; Nowotny, W.; Höfner, S.; Aringer, B.; Wachter, A.

    2014-06-01

    Context. The evolution and spectral properties of stars on the asymptotic giant branch (AGB) are significantly affected by mass loss through dusty stellar winds. Dynamic atmosphere and wind models are an essential tool for studying these evolved stars, both individually and as members of stellar populations, to understand their contribution to the integrated light and chemical evolution of galaxies. Aims: This paper is part of a series with the purpose of testing state-of-the-art atmosphere and wind models of C-type AGB stars against observations, and making them available to the community for use in various theoretical and observational studies. Methods: We have computed low-resolution spectra and photometry (in the wavelength range 0.35-25 μm) for a grid of 540 dynamic models with stellar parameters typical of solar-metallicity C-rich AGB stars and with a range of pulsation amplitudes. The models cover the dynamic atmosphere and dusty outflow (if present), assuming spherical symmetry, and taking opacities of gas-phase species and dust grains consistently into account. To characterize the time-dependent dynamic and photometric behaviour of the models in a concise way we defined a number of classes for models with and without winds. Results: Comparisons with observed data in general show a quite satisfactory agreement for example regarding mass-loss rates vs. (J - K) colours or K magnitudes vs. (J - K) colours. Some exceptions from the good overall agreement, however, are found and attributed to the range of input parameters (e.g. relatively high carbon excesses) or intrinsic model assumptions (e.g. small particle limit for grain opacities). Conclusions: While current results indicate that some changes in model assumptions and parameter ranges should be made in the future to bring certain synthetic observables into better agreement with observations, it seems unlikely that these pending improvements will significantly affect the mass-loss rates of the models

  17. Improvement of modelling capabilities for assessing urban contamination : The EMRAS Urban Remediation Working Group.

    SciTech Connect

    Thiessen, K. M.; Batandjieva, B.; Andersson, K. G.; Arkhipov, A.; Charnock, T. W.; Gallay, F.; Gaschak, S.; Golikov, V.; Hwang, W. T.; Kaiser, J. C.; Kamboj, S.; Steiner, M.; Tomas, J.; Trifunovic, D.; Yu, C.; Ziemer, R. L.; Zlobenko, B.; Environmental Science Division; SENES Oak Ridge; IAEA; Riso National Lab.; Chernobyl Center for Nuclear Safety; Health Protection Agency; IRSN; Inst. of Radiation Hygene of the Ministry of Public Health, Russian Federation; KAERI, Republic of Korea; GSF, Germany; BfS, Germany; CPHR, Cuba; State Office for Radiation Protection, Croatia; AECL, Canada; National Academy of Science, Ukraine

    2008-01-01

    The Urban Remediation Working Group of the International Atomic Energy Agency's Environmental Modeling for Radiation Safety (EMRAS) programme was established to improve modeling and assessment capabilities for radioactively contaminated urban situations, including the effects of countermeasures. An example of the Working Group's activities is an exercise based on Chernobyl fallout data in Ukraine, which has provided an opportunity to compare predictions among several models and with available measurements, to discuss reasons for discrepancies, and to identify areas where additional information would be helpful.

  18. A Thermodynamic Model for Acetate, Lactate, and Oxalate Complexation with Am(III), Th(IV), Np(V), and U(VI) Valid to High Ionic Strength

    SciTech Connect

    Bynaum, R.V.; Free, S.J.; Moore, R.C.

    1999-01-15

    The organic ligands acetate, lactate, oxalate and EDTA have been identified as components of wastes targeted for disposal in the Waste Isolation Pilot Plant (WIPP) located in Southeastern New Mexico. The presence of these ligands is of concern because complexation of the actinides with the ligands may increase dissolved actinide concentrations and impact chemical retardation during transport. The current work considers the complexation of Am(III), Th (IV), Np(V), and U(W) with two of the organic ligands, acetate and lactate, in NaCl media from dilute through high concentration. A thermodynamic model for actinide complexation with the organic ligands has been developed based on the Pitzer activity coefficient formalism and the Harvie-Moller-Weare, Felmy-Weare database for describing brine evaporite systems. The model was parameterized using first apparent stability constant data from the literature. Because of complexation of other metal ions (Fe, Mg, Ni, Pb, etc.) present in the WIPP disposal room with the organic ligands, preliminary results from model calculations indicate the organic ligands do not significantly increase dissolved actinide concentrations.

  19. Extending MAM5 Meta-Model and JaCalIV E Framework to Integrate Smart Devices from Real Environments

    PubMed Central

    2016-01-01

    This paper presents the extension of a meta-model (MAM5) and a framework based on the model (JaCalIVE) for developing intelligent virtual environments. The goal of this extension is to develop augmented mirror worlds that represent a real and virtual world coupled, so that the virtual world not only reflects the real one, but also complements it. A new component called a smart resource artifact, that enables modelling and developing devices to access the real physical world, and a human in the loop agent to place a human in the system have been included in the meta-model and framework. The proposed extension of MAM5 has been tested by simulating a light control system where agents can access both virtual and real sensor/actuators through the smart resources developed. The results show that the use of real environment interactive elements (smart resource artifacts) in agent-based simulations allows to minimize the error between simulated and real system. PMID:26926691

  20. Offshore Code Comparison Collaboration within IEA Wind Task 23: Phase IV Results Regarding Floating Wind Turbine Modeling; Preprint

    SciTech Connect

    Jonkman, J.; Larsen, T.; Hansen, A.; Nygaard, T.; Maus, K.; Karimirad, M.; Gao, Z.; Moan, T.; Fylling, I.

    2010-04-01

    Offshore wind turbines are designed and analyzed using comprehensive simulation codes that account for the coupled dynamics of the wind inflow, aerodynamics, elasticity, and controls of the turbine, along with the incident waves, sea current, hydrodynamics, and foundation dynamics of the support structure. This paper describes the latest findings of the code-to-code verification activities of the Offshore Code Comparison Collaboration, which operates under Subtask 2 of the International Energy Agency Wind Task 23. In the latest phase of the project, participants used an assortment of codes to model the coupled dynamic response of a 5-MW wind turbine installed on a floating spar buoy in 320 m of water. Code predictions were compared from load-case simulations selected to test different model features. The comparisons have resulted in a greater understanding of offshore floating wind turbine dynamics and modeling techniques, and better knowledge of the validity of various approximations. The lessons learned from this exercise have improved the participants' codes, thus improving the standard of offshore wind turbine modeling.

  1. Extending MAM5 Meta-Model and JaCalIV E Framework to Integrate Smart Devices from Real Environments.

    PubMed

    Rincon, J A; Poza-Lujan, Jose-Luis; Julian, V; Posadas-Yagüe, Juan-Luis; Carrascosa, C

    2016-01-01

    This paper presents the extension of a meta-model (MAM5) and a framework based on the model (JaCalIVE) for developing intelligent virtual environments. The goal of this extension is to develop augmented mirror worlds that represent a real and virtual world coupled, so that the virtual world not only reflects the real one, but also complements it. A new component called a smart resource artifact, that enables modelling and developing devices to access the real physical world, and a human in the loop agent to place a human in the system have been included in the meta-model and framework. The proposed extension of MAM5 has been tested by simulating a light control system where agents can access both virtual and real sensor/actuators through the smart resources developed. The results show that the use of real environment interactive elements (smart resource artifacts) in agent-based simulations allows to minimize the error between simulated and real system. PMID:26926691

  2. Extending the Diffuse Layer Model of Surface Acidity Constant Behavior: IV. Diffuse Layer Charge/Potential Relationships

    EPA Science Inventory

    Most current electrostatic surface complexation models describing ionic binding at the particle/water interface rely on the use of Poisson - Boltzmann (PB) theory for relating diffuse layer charge densities to diffuse layer electrostatic potentials. PB theory is known to contain ...

  3. A unified gas-kinetic scheme for continuum and rarefied flows IV: Full Boltzmann and model equations

    NASA Astrophysics Data System (ADS)

    Liu, Chang; Xu, Kun; Sun, Quanhua; Cai, Qingdong

    2016-06-01

    Fluid dynamic equations are valid in their respective modeling scales, such as the particle mean free path scale of the Boltzmann equation and the hydrodynamic scale of the Navier-Stokes (NS) equations. With a variation of the modeling scales, theoretically there should have a continuous spectrum of fluid dynamic equations. Even though the Boltzmann equation is claimed to be valid in all scales, many Boltzmann solvers, including direct simulation Monte Carlo method, require the cell resolution to the order of particle mean free path scale. Therefore, they are still single scale methods. In order to study multiscale flow evolution efficiently, the dynamics in the computational fluid has to be changed with the scales. A direct modeling of flow physics with a changeable scale may become an appropriate approach. The unified gas-kinetic scheme (UGKS) is a direct modeling method in the mesh size scale, and its underlying flow physics depends on the resolution of the cell size relative to the particle mean free path. The cell size of UGKS is not limited by the particle mean free path. With the variation of the ratio between the numerical cell size and local particle mean free path, the UGKS recovers the flow dynamics from the particle transport and collision in the kinetic scale to the wave propagation in the hydrodynamic scale. The previous UGKS is mostly constructed from the evolution solution of kinetic model equations. Even though the UGKS is very accurate and effective in the low transition and continuum flow regimes with the time step being much larger than the particle mean free time, it still has space to develop more accurate flow solver in the region, where the time step is comparable with the local particle mean free time. In such a scale, there is dynamic difference from the full Boltzmann collision term and the model equations. This work is about the further development of the UGKS with the implementation of the full Boltzmann collision term in the region

  4. To Eat and Not Be Eaten: Modelling Resources and Safety in Multi-Species Animal Groups

    PubMed Central

    Srinivasan, Umesh; Quader, Suhel

    2012-01-01

    Using mixed-species bird flocks as an example, we model the payoffs for two types of species from participating in multi-species animal groups. Salliers feed on mobile prey, are good sentinels and do not affect prey capture rates of gleaners; gleaners feed on prey on substrates and can enhance the prey capture rate of salliers by flushing prey, but are poor sentinels. These functional types are known from various animal taxa that form multi-species associations. We model costs and benefits of joining groups for a wide range of group compositions under varying abundances of two types of prey–prey on substrates and mobile prey. Our model predicts that gleaners and salliers show a conflict of interest in multi-species groups, because gleaners benefit from increasing numbers of salliers in the group, whereas salliers benefit from increasing gleaner numbers. The model also predicts that the limits to size and variability in composition of multi-species groups are driven by the relative abundance of different types of prey, independent of predation pressure. Our model emphasises resources as a primary driver of temporal and spatial group dynamics, rather than reproductive activity or predation per se, which have hitherto been thought to explain patterns of multi-species group formation and cohesion. The qualitative predictions of the model are supported by empirical patterns from both terrestrial and marine multi-species groups, suggesting that similar mechanisms might underlie group dynamics in a range of taxa. The model also makes novel predictions about group dynamics that can be tested using variation across space and time. PMID:22848706

  5. IV treatment at home

    MedlinePlus

    ... home; PICC line - home; Infusion therapy - home; Home health care - IV treatment ... Often, home health care nurses will come to your home to give you the medicine. Sometimes, a family member, a friend, or ...

  6. GCF Mark IV development

    NASA Technical Reports Server (NTRS)

    Mortensen, L. O.

    1982-01-01

    The Mark IV ground communication facility (GCF) as it is implemented to support the network consolidation program is reviewed. Changes in the GCF are made in the area of increased capacity. Common carrier circuits are the medium for data transfer. The message multiplexing in the Mark IV era differs from the Mark III era, in that all multiplexing is done in a GCF computer under GCF software control, which is similar to the multiplexing currently done in the high speed data subsystem.

  7. Scale covariance and G-varying cosmology. IV - The log N-log S relation. [radio source models

    NASA Technical Reports Server (NTRS)

    Canuto, V. M.; Owen, J. R.

    1979-01-01

    The traditional radio counts N(S) and radio source models are studied within the framework of the scale-covariant cosmology developed to investigate whether the relative strength of the gravitational and electromagnetic constants is a function of cosmological epoch. It is found that a gravitational constant G varying as the inverse of t, where t is the epoch in atomic units, is consistent with all the data analyzed. For a wide class of models the present cosmology allows a finer discrimination of the deceleration parameter than does standard theory. The results, when combined with those of previous papers, namely, those from radio and optical flux and angular-diameter data analysis, favor an open universe.

  8. Applications of multivariate modeling to neuroimaging group analysis: a comprehensive alternative to univariate general linear model.

    PubMed

    Chen, Gang; Adleman, Nancy E; Saad, Ziad S; Leibenluft, Ellen; Cox, Robert W

    2014-10-01

    All neuroimaging packages can handle group analysis with t-tests or general linear modeling (GLM). However, they are quite hamstrung when there are multiple within-subject factors or when quantitative covariates are involved in the presence of a within-subject factor. In addition, sphericity is typically assumed for the variance-covariance structure when there are more than two levels in a within-subject factor. To overcome such limitations in the traditional AN(C)OVA and GLM, we adopt a multivariate modeling (MVM) approach to analyzing neuroimaging data at the group level with the following advantages: a) there is no limit on the number of factors as long as sample sizes are deemed appropriate; b) quantitative covariates can be analyzed together with within-subject factors; c) when a within-subject factor is involved, three testing methodologies are provided: traditional univariate testing (UVT) with sphericity assumption (UVT-UC) and with correction when the assumption is violated (UVT-SC), and within-subject multivariate testing (MVT-WS); d) to correct for sphericity violation at the voxel level, we propose a hybrid testing (HT) approach that achieves equal or higher power via combining traditional sphericity correction methods (Greenhouse-Geisser and Huynh-Feldt) with MVT-WS. To validate the MVM methodology, we performed simulations to assess the controllability for false positives and power achievement. A real FMRI dataset was analyzed to demonstrate the capability of the MVM approach. The methodology has been implemented into an open source program 3dMVM in AFNI, and all the statistical tests can be performed through symbolic coding with variable names instead of the tedious process of dummy coding. Our data indicates that the severity of sphericity violation varies substantially across brain regions. The differences among various modeling methodologies were addressed through direct comparisons between the MVM approach and some of the GLM implementations in

  9. 3D QSAR and docking study of gliptin derivatives as DPP-IV inhibitors.

    PubMed

    Agrawal, Ritesh; Jain, Pratima; Dikshit, Subodh Narayan; Bahare, Radhe Shyam

    2013-05-01

    The article describes the development of a robust pharmacophore model and the investigation of structure activity relationship analysis of 46 xanthine derivatives reported for DPP-IV inhibition using PHASE module of Schrodinger software. The present works also encompasses molecular interaction of 46 xanthine ligand through maestro 8.5 software. The QSAR study comprises AHHR.7 pharmacophore hypothesis, which elaborates the three points, e.g. one hydrogen bond acceptor (A), two hydrophobic rings (H) and one aromatic ring (R). The discrete geometries as pharmacophoric feature were developed and the generated pharmacophore model was used to derive a predictive atom-based 3D QSAR model for the studied data set. The obtained 3D QSAR model has an excellent correlation coefficient value (r(2)= 0.9995) along with good statistical significance which is indicated by high Fisher ratio (F= 8537.4). The model also exhibits good predictive power confirmed by the high value of cross validated correlation coefficient (q(2) = 0.6919). The QSAR model suggests that hydrophobic character is crucial for the DPP-IV inhibitory activity exhibited by these compounds and inclusion of hydrophobic substituents will enhance the DPP-IV inhibition. In addition to the hydrophobic character, electron withdrawing groups positively contribute to the DPP-IV inhibition potency. The findings of the QSAR study provide a set of guidelines for designing compounds with better DPP-IV inhibitory potency. PMID:23305140

  10. An Empirical Investigation of Integrated Multicriteria Group Decision Models in a Simulation/Gaming Context.

    ERIC Educational Resources Information Center

    Affisco, John F.; Chanin, Michael N.

    1990-01-01

    Presents two models of group decision making that integrate mathematical, multicriteria models with behavioral problem-solving concepts. The results of an empirical test that used the Business Management Laboratory simulation game are reported, and the performance of the two integrated models is compared with the performance of a nonintegrated…

  11. Using Explanatory Item Response Models to Analyze Group Differences in Science Achievement

    ERIC Educational Resources Information Center

    Briggs, Derek C.

    2008-01-01

    This article illustrates the use of an explanatory item response modeling (EIRM) approach in the context of measuring group differences in science achievement. The distinction between item response models and EIRMs, recently elaborated by De Boeck and Wilson (2004), is presented within the statistical framework of generalized linear mixed models.…

  12. Analgesia after Epidural Dexamethasone is Further Enhanced by IV Dipyrone, but Not IV Parecoxibe Following Minor Orthopedic Surgery

    PubMed Central

    Righeti, Claudia CF; Kitayama, Antonio T

    2014-01-01

    Background Epidural administration of dexamethasone has been suggested for pain control after minor orthopedic surgery. This study was conducted to assess its efficacy after such surgery, combined or not to IV dipyrone, IV parecoxibe or their combination. Methods 91 patients were randomly assigned to seven groups. Patients were submitted to spinal bupivacaine anesthesia combined to epidural administration of either 10 ml saline or 10 mg dexamethasone diluted to 10-ml volume. Patients also received 10 ml IV saline or 1 gr dipyrone and/or 40 mg parecoxibe diluted to 10 ml with saline. Control group (CG) received epidural and IV saline. Dexamethasone group (DexG) received epidural dexamethasone and IV saline. Dipyrone group (DipG) received epidural saline and IV dipyrone. Dex-Dip G received epidural dexamethasone and IV dipyrone. Parecoxibe group (ParG) received epidural saline and IV parecoxibe. Dex-ParG received epidural dexamethasone and IV parecoxibe. Finally, Dex-Dip-ParG received epidural dexamethasone and IV dipyrone plus IV parecoxibe. Results The CG expressed 4h of analgesia and sooner requested pain killer. DexG was similar to DipG or ParG or Dex-ParG (7-hours), and they requested less ketoprofen compared to the CG (P < 0.05). However, the Dex-DipG and the Dex-Dip-ParG resulted in longer time to demand pain killer (17-hours) and less ketoprofen consumption in 24-hours (P < 0.002). Adverse effects were similar among groups. Conclusions The analgesia secondary to epidural dexamethasone was enhanced by IV dipyrone, while no effects were observed by the addition of IV parecoxibe. PMID:25317284

  13. Our Sun IV: The Standard Model and Helioseismology: Consequences of Uncertainties in Input Physics and in Observed Solar Parameters

    NASA Technical Reports Server (NTRS)

    Boothroyd, Arnold I.; Sackmann, I.-Juliana

    2001-01-01

    Helioseismic frequency observations provide an extremely accurate window into the solar interior; frequencies from the Michaelson Doppler Imager (MDI) on the Solar and Heliospheric Observatory (SOHO) spacecraft, enable the adiabatic sound speed and adiabatic index to be inferred with an accuracy of a few parts in 10(exp 4) and the density with an accuracy of a few parts in 10(exp 3). This has become a Serious challenge to theoretical models of the Sun. Therefore, we have undertaken a self-consistent, systematic study of the sources of uncertainties in the standard solar models. We found that the largest effect on the interior structure arises from the observational uncertainties in the photospheric abundances of the elements, which affect the sound speed profile at the level of 3 parts in 10(exp 3). The estimated 4% uncertainty in the OPAL opacities could lead to effects of 1 part in 10(exp 3); the approximately 5%, uncertainty in the basic pp nuclear reaction rate would have a similar effect, as would uncertainties of approximately 15% in the diffusion constants for the gravitational settling of helium. The approximately 50% uncertainties in diffusion constants for the heavier elements would have nearly as large an effect. Different observational methods for determining the solar radius yield results differing by as much as 7 parts in 10(exp 4); we found that this leads to uncertainties of a few parts in 10(exp 3) in the sound speed int the solar convective envelope, but has negligible effect on the interior. Our reference standard solar model yielded a convective envelope position of 0.7135 solar radius, in excellent agreement with the observed value of 0.713 +/- 0.001 solar radius and was significantly affected only by Z/X, the pp rate, and the uncertainties in helium diffusion constants. Our reference model also yielded envelope helium abundance of 0.2424, in good agreement with the approximate range of 0.24 to 0.25 inferred from helioseismic observations; only

  14. Empirical calibration of the near-infrared CaII triplet - IV. The stellar population synthesis models

    NASA Astrophysics Data System (ADS)

    Vazdekis, A.; Cenarro, A. J.; Gorgas, J.; Cardiel, N.; Peletier, R. F.

    2003-04-01

    We present a new evolutionary stellar population synthesis model, which predicts spectral energy distributions for single-age single-metallicity stellar populations (SSPs) at resolution 1.5 Å (FWHM) in the spectral region of the near-infrared CaII triplet feature. The main ingredient of the model is a new extensive empirical stellar spectral library that has been recently presented by Cenarro et al., which is composed of more than 600 stars with an unprecedented coverage of the stellar atmospheric parameters. Two main products of interest for stellar population analysis are presented. The first is a spectral library for SSPs with metallicities -1.7 < [Fe/H] < +0.2, a large range of ages (0.1-18 Gyr) and initial mass function (IMF) types. They are well suited to modelling galaxy data, since the SSP spectra, with flux-calibrated response curves, can be smoothed to the resolution of the observational data, taking into account the internal velocity dispersion of the galaxy, allowing the user to analyse the observed spectrum in its own system. We also produce integrated absorption-line indices (namely CaT*, CaT and PaT) for the same SSPs in the form of equivalent widths. We find the following behaviour for the CaII triplet feature in old-aged SSPs: (i) the strength of the CaT* index does not change much with time for all metallicities for ages larger than ~3 Gyr; (ii) this index shows a strong dependence on metallicity for values below [M/H]~-0.5 and (iii) for larger metallicities this feature does not show a significant dependence either on age or on the metallicity, being more sensitive to changes in the slope of power-like IMF shapes. The SSP spectra have been calibrated with measurements for globular clusters by Armandroff & Zinn, which are well reproduced, probing the validity of using the integrated CaII triplet feature for determining the metallicities of these systems. Fitting the models to two early-type galaxies of different luminosities (NGC 4478 and 4365

  15. Bayesian Hierarchical Semiparametric Modelling of Longitudinal Post-treatment Outcomes from Open Enrolment Therapy Groups

    PubMed Central

    Paddock, Susan M.; Savitsky, Terrance D.

    2013-01-01

    There are several challenges to testing the effectiveness of group therapy-based interventions in alcohol and other drug use (AOD) treatment settings. Enrollment into AOD therapy groups typically occurs on an open (rolling) basis. Changes in therapy group membership induce a complex correlation structure among client outcomes, with relatively small numbers of clients attending each therapy group session. Primary outcomes are measured post-treatment, so each datum reflects the effect of all sessions attended by a client. The number of post-treatment outcomes assessments is typically very limited. The first feature of our modeling approach relaxes the assumption of independent random effects in the standard multiple membership model by employing conditional autoregression (CAR) to model correlation in random therapy group session effects associated with clients’ attendance of common group therapy sessions. A second feature specifies a longitudinal growth model under which the posterior distribution of client-specific random effects, or growth parameters, is modeled non-parametrically. The Dirichlet process prior helps to overcome limitations of standard parametric growth models given limited numbers of longitudinal assessments. We motivate and illustrate our approach with a data set from a study of group cognitive behavioral therapy to reduce depressive symptoms among residential AOD treatment clients. PMID:24353375

  16. Bayesian Hierarchical Semiparametric Modelling of Longitudinal Post-treatment Outcomes from Open Enrolment Therapy Groups.

    PubMed

    Paddock, Susan M; Savitsky, Terrance D

    2013-06-01

    There are several challenges to testing the effectiveness of group therapy-based interventions in alcohol and other drug use (AOD) treatment settings. Enrollment into AOD therapy groups typically occurs on an open (rolling) basis. Changes in therapy group membership induce a complex correlation structure among client outcomes, with relatively small numbers of clients attending each therapy group session. Primary outcomes are measured post-treatment, so each datum reflects the effect of all sessions attended by a client. The number of post-treatment outcomes assessments is typically very limited. The first feature of our modeling approach relaxes the assumption of independent random effects in the standard multiple membership model by employing conditional autoregression (CAR) to model correlation in random therapy group session effects associated with clients' attendance of common group therapy sessions. A second feature specifies a longitudinal growth model under which the posterior distribution of client-specific random effects, or growth parameters, is modeled non-parametrically. The Dirichlet process prior helps to overcome limitations of standard parametric growth models given limited numbers of longitudinal assessments. We motivate and illustrate our approach with a data set from a study of group cognitive behavioral therapy to reduce depressive symptoms among residential AOD treatment clients. PMID:24353375

  17. Effect of external magnetic field on IV 99mTc-labeled aminosilane-coated iron oxide nanoparticles: demonstration in a rat model: special report.

    PubMed

    Liberatore, Mauro; Barteri, Mario; Megna, Valentina; D'Elia, Piera; Rebonato, Stefania; Latini, Augusto; De Angelis, Francesca; Scaramuzzo, Francesca Anna; De Stefano, Maria Egle; Guadagno, Noemi Antonella; Chondrogiannis, Sotirios; Maffione, Anna Margherita; Rubello, Domenico; Pala, Alessandro; Colletti, Patrick M

    2015-02-01

    Among the most interesting applications of ferromagnetic nanoparticles (NPs) in medicine is the potential for localizing pharmacologically or radioactively tagged agents directly to selected tissues selected by an adjustable external magnetic field. This concept is demonstrated by the application external magnetic field on IV Tc-labeled aminosilane-coated iron oxide NPs in a rat model. In a model comparing a rat with a 0.3-T magnet over a hind paw versus a rat without a magnet, a static acquisition at 45 minutes showed that 27% of the administered radioactivity was in the area subtended by the magnet, whereas the liver displays a percentage of binding of 14% in the presence of the magnet and of 16% in the absence of an external magnetic field. These preliminary results suggest that the application of an external magnetic field may be a viable route for the development of methods for the confinement of magnetic NPs labeled with radioactive isotopes targeted for predetermined sites of the body. PMID:25551623

  18. A model for the origin of group reproduction during the evolutionary transition to multicellularity.

    PubMed

    Maliet, Odile; Shelton, Deborah E; Michod, Richard E

    2015-06-01

    During the evolution of multicellular organisms, the unit of selection and adaptation, the individual, changes from the single cell to the multicellular group. To become individuals, groups must evolve a group life cycle in which groups reproduce other groups. Investigations into the origin of group reproduction have faced a chicken-and-egg problem: traits related to reproduction at the group level often appear both to be a result of and a prerequisite for natural selection at the group level. With a focus on volvocine algae, we model the basic elements of the cell cycle and show how group reproduction can emerge through the coevolution of a life-history trait with a trait underpinning cell cycle change. Our model explains how events in the cell cycle become reordered to create a group life cycle through continuous change in the cell cycle trait, but only if the cell cycle trait can coevolve with the life-history trait. Explaining the origin of group reproduction helps us understand one of life's most familiar, yet fundamental, aspects-its hierarchical structure. PMID:26063749

  19. Exploratory Structural Equation Modeling of Resting-state fMRI: applicability of group models to individual subjects

    PubMed Central

    James, G. Andrew; Kelley, Mary E.; Craddock, R. Cameron; Holtzheimer, Paul E.; Dunlop, Boadie; Nemeroff, Charles; Mayberg, Helen S.; Hu, Xiaoping P.

    2009-01-01

    The extension of group-level connectivity methods to individual subjects remains a hurdle for statistical analyses of neuroimaging data. Previous group analyses of positron emission tomography data in clinically depressed patients, for example, have shown that resting-state connectivity prior to therapy predicts how patients eventually respond to pharmacological and cognitive-behavioral therapy. Such applications would be considerably more informative for clinical decision making if these connectivity methods could be extended into the individual subject domain. To test such an extension, 46 treatment-naïve depressed patients were enrolled in an fMRI study to model baseline resting-state functional connectivity. Resting-state fMRI scans were acquired and submitted to exploratory structural equation modeling (SEM) to derive the optimal group connectivity model. Jackknife and split sample tests confirm that group model was highly reproducible, and path weights were consistent across the best five group models. When this model was applied to data from individual subjects, 85% of patients fit the group model. Histogram analysis of individual subjects’ paths indicate that some paths are better representative of group membership. These results suggest that exploratory SEM is a viable technique for neuroimaging connectivity analyses of individual subjects’ resting-state fMRI data. PMID:19162206

  20. LDA-Based Unified Topic Modeling for Similar TV User Grouping and TV Program Recommendation.

    PubMed

    Pyo, Shinjee; Kim, Eunhui; Kim, Munchurl

    2015-08-01

    Social TV is a social media service via TV and social networks through which TV users exchange their experiences about TV programs that they are viewing. For social TV service, two technical aspects are envisioned: grouping of similar TV users to create social TV communities and recommending TV programs based on group and personal interests for personalizing TV. In this paper, we propose a unified topic model based on grouping of similar TV users and recommending TV programs as a social TV service. The proposed unified topic model employs two latent Dirichlet allocation (LDA) models. One is a topic model of TV users, and the other is a topic model of the description words for viewed TV programs. The two LDA models are then integrated via a topic proportion parameter for TV programs, which enforces the grouping of similar TV users and associated description words for watched TV programs at the same time in a unified topic modeling framework. The unified model identifies the semantic relation between TV user groups and TV program description word groups so that more meaningful TV program recommendations can be made. The unified topic model also overcomes an item ramp-up problem such that new TV programs can be reliably recommended to TV users. Furthermore, from the topic model of TV users, TV users with similar tastes can be grouped as topics, which can then be recommended as social TV communities. To verify our proposed method of unified topic-modeling-based TV user grouping and TV program recommendation for social TV services, in our experiments, we used real TV viewing history data and electronic program guide data from a seven-month period collected by a TV poll agency. The experimental results show that the proposed unified topic model yields an average 81.4% precision for 50 topics in TV program recommendation and its performance is an average of 6.5% higher than that of the topic model of TV users only. For TV user prediction with new TV programs, the average

  1. Toward a unifying model of identification with groups: integrating theoretical perspectives.

    PubMed

    Roccas, Sonia; Sagiv, Lilach; Schwartz, Shalom; Halevy, Nir; Eidelson, Roy

    2008-08-01

    Building on the contributions of diverse theoretical approaches, the authors present a multidimensional model of group identification. Integrating conceptions from the social identity perspective with those from research on individualism-collectivism, nationalism- patriotism, and identification with organizations, we propose four conceptually distinct modes of identification: importance (how much I view the group as part of who I am), commitment (how much I want to benefit the group), superiority (how much I view my group as superior to other groups), and deference (how much I honor, revere, and submit to the group's norms, symbols, and leaders). We present an instrument for assessing the four modes of identification and review initial empirical findings that validate the proposed model and show its utility in understanding antecedents and consequences of identification. PMID:18641386

  2. A computational model for periodic pattern perception based on frieze and wallpaper groups.

    PubMed

    Liu, Yanxi; Collins, Robert T; Tsin, Yanghai

    2004-03-01

    We present a computational model for periodic pattern perception based on the mathematical theory of crystallographic groups. In each N-dimensional Euclidean space, a finite number of symmetry groups can characterize the structures of an infinite variety of periodic patterns. In 2D space, there are seven frieze groups describing monochrome patterns that repeat along one direction and 17 wallpaper groups for patterns that repeat along two linearly independent directions to tile the plane. We develop a set of computer algorithms that "understand" a given periodic pattern by automatically finding its underlying lattice, identifying its symmetry group, and extracting its representative motifs. We also extend this computational model for near-periodic patterns using geometric AIC. Applications of such a computational model include pattern indexing, texture synthesis, image compression, and gait analysis. PMID:15376882

  3. RADIATIVE TRANSFER IN A CLUMPY UNIVERSE. IV. NEW SYNTHESIS MODELS OF THE COSMIC UV/X-RAY BACKGROUND

    SciTech Connect

    Haardt, Francesco; Madau, Piero E-mail: pmadau@ucolick.org

    2012-02-20

    We present improved synthesis models of the evolving spectrum of the UV/X-ray diffuse background, updating and extending our previous results. Five new main components are added to our radiative transfer code CUBA: (1) the sawtooth modulation of the background intensity from resonant line absorption in the Lyman series of cosmic hydrogen and helium; (2) the X-ray emission from the obscured and unobscured quasars that gives origin to the X-ray background; (3) a piecewise parameterization of the distribution in redshift and column density of intergalactic absorbers that fits recent measurements of the mean free path of 1 ryd photons; (4) an accurate treatment of the photoionization structure of absorbers, which enters in the calculation of the helium continuum opacity and recombination emissivity; and (5) the UV emission from star-forming galaxies at all redshifts. We provide tables of the predicted H I and He II photoionization and photoheating rates for use, e.g., in cosmological hydrodynamics simulations of the Ly{alpha} forest and a new metallicity-dependent calibration to the UV luminosity density-star formation rate density relation. A 'minimal cosmic reionization model' is also presented in which the galaxy UV emissivity traces recent determinations of the cosmic history of star formation, the luminosity-weighted escape fraction of hydrogen-ionizing radiation increases rapidly with look-back time, the clumping factor of the high-redshift intergalactic medium evolves following the results of hydrodynamic simulations, and Population III stars and miniquasars make a negligible contribution to the metagalactic flux. The model provides a good fit to the hydrogen-ionization rates inferred from flux decrement and proximity effect measurements, predicts that cosmological H II (He III) regions overlap at redshift 6.7 (2.8), and yields an optical depth to Thomson scattering, {tau}{sub es} = 0.084 that is in agreement with Wilkinson Microwave Anisotropy Probe results

  4. Radiative Transfer in a Clumpy Universe. IV. New Synthesis Models of the Cosmic UV/X-Ray Background

    NASA Astrophysics Data System (ADS)

    Haardt, Francesco; Madau, Piero

    2012-02-01

    We present improved synthesis models of the evolving spectrum of the UV/X-ray diffuse background, updating and extending our previous results. Five new main components are added to our radiative transfer code CUBA: (1) the sawtooth modulation of the background intensity from resonant line absorption in the Lyman series of cosmic hydrogen and helium; (2) the X-ray emission from the obscured and unobscured quasars that gives origin to the X-ray background; (3) a piecewise parameterization of the distribution in redshift and column density of intergalactic absorbers that fits recent measurements of the mean free path of 1 ryd photons; (4) an accurate treatment of the photoionization structure of absorbers, which enters in the calculation of the helium continuum opacity and recombination emissivity; and (5) the UV emission from star-forming galaxies at all redshifts. We provide tables of the predicted H I and He II photoionization and photoheating rates for use, e.g., in cosmological hydrodynamics simulations of the Lyα forest and a new metallicity-dependent calibration to the UV luminosity density-star formation rate density relation. A "minimal cosmic reionization model" is also presented in which the galaxy UV emissivity traces recent determinations of the cosmic history of star formation, the luminosity-weighted escape fraction of hydrogen-ionizing radiation increases rapidly with look-back time, the clumping factor of the high-redshift intergalactic medium evolves following the results of hydrodynamic simulations, and Population III stars and miniquasars make a negligible contribution to the metagalactic flux. The model provides a good fit to the hydrogen-ionization rates inferred from flux decrement and proximity effect measurements, predicts that cosmological H II (He III) regions overlap at redshift 6.7 (2.8), and yields an optical depth to Thomson scattering, τes = 0.084 that is in agreement with Wilkinson Microwave Anisotropy Probe results. Our new

  5. Simultaneous geologic scenario identification and flow model calibration with group-sparsity formulations

    NASA Astrophysics Data System (ADS)

    Golmohammadi, Azarang; Jafarpour, Behnam

    2016-06-01

    Adopting representative geologic connectivity scenarios is critical for reliable modeling and prediction of flow and transport processes in subsurface environments. Geologic scenarios are often developed by integrating several sources of information, including knowledge of the depositional environment, qualitative and quantitative data such as outcrop and well logs, and process-based geologic modeling. In general, flow and transport response data are usually not included in constructing geologic scenarios for a basin. Instead, these data are typically matched using a given prior geologic scenario as constraint. Since data limitations, modeling assumptions and subjective interpretations can lead to significant uncertainty in the adopted geologic scenarios, flow and transport data may also be useful for constraining the uncertainty in proposed geologic scenarios. Constraining geologic scenarios with flow-related data opens an interesting and challenging research area, which goes beyond the traditional model calibration formulations where the geologic scenario is assumed given. In this paper, a novel concept, known as group-sparsity regularization, is proposed as an effective formulation to constrain the uncertainty in the prior geologic scenario during subsurface flow model calibration. Given a collection of model realizations from several plausible geologic scenarios, the proposed method first applies the truncated singular value decomposition (TSVD) to compactly represent the models from each geologic scenario. The TSVD basis for representing each scenario forms a distinct group. The proposed approach searches over these groups (i.e., geologic scenarios) to eliminate inconsistent groups that are not supported by the observed flow/pressure data. The group-sparsity regularization minimizes a l1/l2mixed norm, where the l2-norm quantifies the contribution of each group and operates on the coefficients within the groups while the l1-norm, having a selection property, is

  6. Likelihood Methods for Testing Group Problem Solving Models with Censored Data.

    ERIC Educational Resources Information Center

    Regal, Ronald R.; Larntz, Kinley

    1978-01-01

    Models relating individual and group problem solving solution times under the condition of limited time (time limit censoring) are presented. Maximum likelihood estimation of parameters and a goodness of fit test are presented. (Author/JKS)

  7. Using the Solving Problems Together Psychoeducational Group Counseling Model as an Intervention for Negative Peer Pressure

    ERIC Educational Resources Information Center

    Hall, Kimberly R.; Rushing, Jeri Lynn; Khurshid, Ayesha

    2011-01-01

    Problem-focused interventions are considered to be one of the most effective group counseling strategies with adolescents. This article describes a problem-focused group counseling model, Solving Problems Together (SPT), that focuses on working with students who struggle with negative peer pressure. Adapted from the teaching philosophy of…

  8. Context and Models for the Analysis of Individual and Group Needs

    ERIC Educational Resources Information Center

    Patton, Wendy; McIlveen, Peter

    2009-01-01

    This article summarizes the papers presented in the discussion group focused on the theme "Models for the Analysis of Individual and Group Needs" at the joint symposium of the International Association for Educational and Vocational Guidance, Society for Vocational Psychology, and National Career Development Association held in Padua, Italy, in…

  9. A Mentor, Peer Group, Incentive Model for Helping Underclass Youth. Research Paper.

    ERIC Educational Resources Information Center

    Mincy, Ronald B.; Wiener, Susan J.

    This document describes the Mentors, Peer Groups, and Incentives (MPI) demonstration project, a model for helping early adolescent underclass males to improve academic performance and reduce the probability of premature fatherhood. A first section discusses the working definition of the underclass as a group where dysfunctional behaviors are…

  10. Designing a bone health and soy focus group discussion guide based on the health belief model

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Focus groups were used to assess the knowledge and skills of women in order to support curricula development. The Health Belief Model was applied to the discussion guide to enhance focus group findings and applications. Constructs related to perceived susceptibility, severity, benefits, and barriers...

  11. Reflective practice groups for nurses: a consultation liaison psychiatry nursing initiative: part 1--The model.

    PubMed

    Dawber, Chris

    2013-04-01

    In the present study, we outline the evolution of a process-focused reflective practice group (RPG) model for nurses working in clinical settings. The groups were initiated at Redcliffe and Caboolture hospitals by the consultation liaison psychiatry nurse and author. An associated article provides an evaluation of these RPG. The literature review identifies the key themes and theories on which the model is based, and the article outlines the process and practicalities of facilitating RPG in critical care, midwifery, and oncology specialties over a 3-year period. The model proposes that the effectiveness and sustainability of RPG arises from adequate preparation and engagement with prospective participants. Group rules, based on principles of confidentially, supportiveness, and diversity, were collaboratively developed for each group. Facilitation utilized a group-as-a-whole approach to manage process and stimulate reflection. While the purpose of RPG was a reflection on interpersonal aspects of nursing, contextual workplace issues were frequently raised in groups. Acknowledgement and containment of such issues were necessary to maintain clinical focus. The literature highlights facilitator credibility and style as crucial factors in the overall success of RPG, and it is proposed that reflective practice as a process-focused model for groups succeeds when nurse facilitators are trained in group process and receive concurrent supervision. PMID:23009276

  12. Using Molecular Modeling in Teaching Group Theory Analysis of the Infrared Spectra of Organometallic Compounds

    ERIC Educational Resources Information Center

    Wang, Lihua

    2012-01-01

    A new method is introduced for teaching group theory analysis of the infrared spectra of organometallic compounds using molecular modeling. The main focus of this method is to enhance student understanding of the symmetry properties of vibrational modes and of the group theory analysis of infrared (IR) spectra by using visual aids provided by…

  13. Teaching Engineering Statistics with Technology, Group Learning, Contextual Projects, Simulation Models and Student Presentations

    ERIC Educational Resources Information Center

    Romeu, Jorge Luis

    2008-01-01

    This article discusses our teaching approach in graduate level Engineering Statistics. It is based on the use of modern technology, learning groups, contextual projects, simulation models, and statistical and simulation software to entice student motivation. The use of technology to facilitate group projects and presentations, and to generate,…

  14. The Ionized Gas and Nuclear Environment in NGC 3783. IV; Variability and Modeling of the 900 ks CHANDRA Spectrum

    NASA Technical Reports Server (NTRS)

    Netzer, Hagai; Kaspi, Shai; Behar, Ehud; Brandt, W. N.; Chelouche, Doron; George, Ian M.; Crenshaw, D. Michael; Gabel, Jack R.; Hamann, Frederick W.; George, Steven B.

    2003-01-01

    We present a detailed analysis of the 900 ks spectrum of NGC3783 obtained by Chandra in 2000-2001 (Kaspi et al. 2002). We split the data in various ways to look for time dependent and luminosity dependent spectral variations. This analysis, the measured equivalent widths of a large number of X-ray lines, and our photoionization calculations, lead us to the following conclusions: 1) NGC 3783 fluctuated in luminosity, by a factor N 1.5, during individual 170 ks observations. The fluctuations were not associated with significant spectral variations. 2) On a longer time scale, of 20-120 days, we discovered two very different spectral shapes that are noted the high state and the low state spectra. The observed changes between the two can be described as the appearance and disappearance of a soft continuum component. The spectral variations are not related, in a simple way, to the brightening or the fading of the short wavelength continuum, as observed in other objects. NGC3783 seems to be the first AGN to show this unusual behavior. 3) The appearance of the soft continuum component is consistent with beeing the only spectral variation and there is no need to invoke changes in the absorber s opacity. In particular, all absorption lines with reliable measurements show the same equivalent width, within the observational uncertainties, during high and low states. 4) Photoionization model calculations show that a combination of three ionization components, each split into two kinematic components, explain very well the intensity of almost all absorption lines and the bound-free absorption. The components span a large range of ionization and a total column of about 3 x 10(exp 22) per square centimeter Moreover, all components are thermally stable and are situated on the vertical branch of the stability curve.. This means that they are in pressure equilibrium and perhaps occupy the same volume of space. This is the first detection of such a multi-component equilibrium gas in

  15. Incorporating social groups' responses in a descriptive model for second- and higher-order impact identification

    SciTech Connect

    Sutheerawatthana, Pitch; Minato, Takayuki

    2010-02-15

    The response of a social group is a missing element in the formal impact assessment model. Previous discussion of the involvement of social groups in an intervention has mainly focused on the formation of the intervention. This article discusses the involvement of social groups in a different way. A descriptive model is proposed by incorporating a social group's response into the concept of second- and higher-order effects. The model is developed based on a cause-effect relationship through the observation of phenomena in case studies. The model clarifies the process by which social groups interact with a lower-order effect and then generate a higher-order effect in an iterative manner. This study classifies social groups' responses into three forms-opposing, modifying, and advantage-taking action-and places them in six pathways. The model is expected to be used as an analytical tool for investigating and identifying impacts in the planning stage and as a framework for monitoring social groups' responses during the implementation stage of a policy, plan, program, or project (PPPPs).

  16. Group-oriented coordination models for distributed client-server computing

    NASA Technical Reports Server (NTRS)

    Adler, Richard M.; Hughes, Craig S.

    1994-01-01

    This paper describes group-oriented control models for distributed client-server interactions. These models transparently coordinate requests for services that involve multiple servers, such as queries across distributed databases. Specific capabilities include: decomposing and replicating client requests; dispatching request subtasks or copies to independent, networked servers; and combining server results into a single response for the client. The control models were implemented by combining request broker and process group technologies with an object-oriented communication middleware tool. The models are illustrated in the context of a distributed operations support application for space-based systems.

  17. Group-Wise Herding Behavior in Financial Markets: An Agent-Based Modeling Approach

    PubMed Central

    Kim, Minsung; Kim, Minki

    2014-01-01

    In this paper, we shed light on the dynamic characteristics of rational group behaviors and the relationship between monetary policy and economic units in the financial market by using an agent-based model (ABM), the Hurst exponent, and the Shannon entropy. First, an agent-based model is used to analyze the characteristics of the group behaviors at different levels of irrationality. Second, the Hurst exponent is applied to analyze the characteristics of the trend-following irrationality group. Third, the Shannon entropy is used to analyze the randomness and unpredictability of group behavior. We show that in a system that focuses on macro-monetary policy, steep fluctuations occur, meaning that the medium-level irrationality group has the highest Hurst exponent and Shannon entropy among all of the groups. However, in a system that focuses on micro-monetary policy, all group behaviors follow a stable trend, and the medium irrationality group thus remains stable, too. Likewise, in a system that focuses on both micro- and macro-monetary policies, all groups tend to be stable. Consequently, we find that group behavior varies across economic units at each irrationality level for micro- and macro-monetary policy in the financial market. Together, these findings offer key insights into monetary policy. PMID:24714635

  18. Group-wise herding behavior in financial markets: an agent-based modeling approach.

    PubMed

    Kim, Minsung; Kim, Minki

    2014-01-01

    In this paper, we shed light on the dynamic characteristics of rational group behaviors and the relationship between monetary policy and economic units in the financial market by using an agent-based model (ABM), the Hurst exponent, and the Shannon entropy. First, an agent-based model is used to analyze the characteristics of the group behaviors at different levels of irrationality. Second, the Hurst exponent is applied to analyze the characteristics of the trend-following irrationality group. Third, the Shannon entropy is used to analyze the randomness and unpredictability of group behavior. We show that in a system that focuses on macro-monetary policy, steep fluctuations occur, meaning that the medium-level irrationality group has the highest Hurst exponent and Shannon entropy among all of the groups. However, in a system that focuses on micro-monetary policy, all group behaviors follow a stable trend, and the medium irrationality group thus remains stable, too. Likewise, in a system that focuses on both micro- and macro-monetary policies, all groups tend to be stable. Consequently, we find that group behavior varies across economic units at each irrationality level for micro- and macro-monetary policy in the financial market. Together, these findings offer key insights into monetary policy. PMID:24714635

  19. Interplanetary Type IV Bursts

    NASA Astrophysics Data System (ADS)

    Hillaris, A.; Bouratzis, C.; Nindos, A.

    2016-08-01

    We study the characteristics of moving type IV radio bursts that extend to hectometric wavelengths (interplanetary type IV or type {IV}_{{IP}} bursts) and their relationship with energetic phenomena on the Sun. Our dataset comprises 48 interplanetary type IV bursts observed with the Radio and Plasma Wave Investigation (WAVES) instrument onboard Wind in the 13.825 MHz - 20 kHz frequency range. The dynamic spectra of the Radio Solar Telescope Network (RSTN), the Nançay Decametric Array (DAM), the Appareil de Routine pour le Traitement et l' Enregistrement Magnetique de l' Information Spectral (ARTEMIS-IV), the Culgoora, Hiraso, and the Institute of Terrestrial Magnetism, Ionosphere and Radio Wave Propagation (IZMIRAN) Radio Spectrographs were used to track the evolution of the events in the low corona. These were supplemented with soft X-ray (SXR) flux-measurements from the Geostationary Operational Environmental Satellite (GOES) and coronal mass ejections (CME) data from the Large Angle and Spectroscopic Coronagraph (LASCO) onboard the Solar and Heliospheric Observatory (SOHO). Positional information of the coronal bursts was obtained by the Nançay Radioheliograph (NRH). We examined the relationship of the type IV events with coronal radio bursts, CMEs, and SXR flares. The majority of the events (45) were characterized as compact, their duration was on average 106 minutes. This type of events was, mostly, associated with M- and X-class flares (40 out of 45) and fast CMEs, 32 of these events had CMEs faster than 1000 km s^{-1}. Furthermore, in 43 compact events the CME was possibly subjected to reduced aerodynamic drag as it was propagating in the wake of a previous CME. A minority (three) of long-lived type {IV}_{{IP}} bursts was detected, with durations from 960 minutes to 115 hours. These events are referred to as extended or long duration and appear to replenish their energetic electron content, possibly from electrons escaping from the corresponding coronal

  20. Client satisfaction with a new group-based model of case management for supported housing services.

    PubMed

    Tsai, Jack; Reddy, Navin; Rosenheck, Robert A

    2014-04-01

    Supportive housing typically offers rental subsidies and individual intensive community-based case management and has become a predominant service model for homeless adults. Alternative case management models have not been adequately explored. This study evaluates satisfaction with a novel group-intensive peer support (GIPS) model of case management for the Housing and Urban Development-Veterans Affairs Supportive Housing (HUD-VASH) program. A total of 95 HUD-VASH clients rated their satisfaction with services and responded to open-ended questions about what they liked best and least about the program. Quantitative and qualitative analyses compared clients who attended groups as part of the GIPS model and those who did not. No significant difference in satisfaction between group and non-group attenders were found. Clients reported what they liked best about the program was the staff; those who attended groups reported what they liked best was the social interaction and peer support. These findings suggest clients who attend groups for their primary source of case management may be as satisfied as those who receive only individual case management. GIPS offers a feasible and acceptable service model and should be further explored along with other alternative models of care in supportive housing services. PMID:24413143

  1. Thermodynamic Model for the Solubility of TcO2•xH2O(am) in the Aqueous Tc(IV) - Na+ - Cl- - H+ - OH- - H2O System

    SciTech Connect

    Hess, Nancy J.; Xia, Yuanxian; Rai, Dhanpat; Conradson, Steven D.

    2004-02-01

    Solubility studies of TcO2•xH2O(am) have been conducted as a function of H+ concentration from 1 x 10-5 to 6 M HCl and as function of chloride concentration from 1 x 10-3 to 5 M NaCl. These experiments were conducted under carefully controlled reducing conditions such that the preponderance of Tc is present in solution is in the reduced oxidation state and was determined to be Tc(IV) by XANES analysis. The aqueous species and solid phases were characterized using a combination of techniques including thermodynamic analyses of solubility data, XRD, and XANES, EXAFS, and UV-Vis spectroscopies. Chloride was found to significantly affect Tc(IV) concentrations through 1) the formation of Tc(IV) chloro complexes [i.e., TcCl4(aq) and TcCl62-] and a stable compound [data suggests this compound to be TcCl4(am)] in highly acidic and relatively concentrated chloride solutions, and 2) its interactions with the positively charged hydrolyzed Tc(IV) species in solutions of relatively low acidity and high chloride concentrations. A thermodynamic model was developed, which included hitherto unavailable chemical potentials of Tc(IV)-chloro species and Pitzer ion-interaction parameters for Tc(IV) hydrolyzed species with bulk electrolyte ions used in this study. The thermodynamic model presented in this paper is consistent with the extensive data reported in this study and with the reliable literature data, and is applicable to a wide range in H+ and Cl- concentrations and ionic strengths.

  2. Cognitive-enhancing effects of angiotensin IV

    PubMed Central

    Gard, Paul R

    2008-01-01

    Angiotensin IV is a derivative of the potent vasoconstrictor angiotensin II and it has been shown to enhance acquisition, consolidation and recall in animal models of learning and memory when administered centrally or peripherally. Whether changes in angiotensin IV activity underlie the cognitive effects of those cardiovascular drugs designed to disrupt the peripheral renin-angiotensin system in humans remains undetermined, but angiotensin IV appears to be a worthy candidate for consideration in drug development programmes. The mechanism of action of angiotensin IV is still debated, although its AT4 receptor has been convincingly identified as being insulin-regulated amino peptidase, which is also known as oxytocinase and placental leucine aminopeptidase. It is speculated that angiotensin IV may interact with insulin-regulated amino peptidase to enhance neuronal glucose uptake, prevent metabolism of other neuroactive peptides, induce changes in extracellular matrix molecules, or induce release of acetylcholine and/or dopamine. All of these things may be responsible for the beneficial effects on cognition, but none of them are yet proven. Importantly, strain differences in murine responses to angiotensin IV suggest that some individuals may benefit from drugs targeted to the AT4 receptor whilst others may be refractory. At present it thus appears that those individuals with the poorest baseline cognition may receive greatest benefit, but possible genetic differences in responses to angiotensin IV cannot be ruled-out. PMID:19090988

  3. Stage IV work hardening in cubic metals

    SciTech Connect

    Rollett, A.D.; Kocks, U.F.; Doherty, R.D.

    1986-01-01

    The work hardening of fcc metals at large strains is discussed with reference to the linear stress-strain behavior often observed at large strains and known as Stage IV. The experimental evidence shows that Stage IV is a work hardening phenomenon that is found quite generally, even in pure fcc metals subjected to homogeneous deformation. A simple model for Stage IV in pure metals is presented, based on the accumulation of dislocation debris. Experiments are described for large strain torsion tests on four aluminum alloys. The level and extent of Stage IV scaled with the saturation stress that would represent the end of Stage III in the absence of a Stage IV. Reversing the torsion after large prestrains produced transient reductions in the work hardening. The strain rate sensitivity was also measured before and during the transient and found not to vary significantly. The microstructure observed at large strains in an Mg alloy suggest that Stage IV can occur in the absence of microband formation. Previous proposals for the cause of Stage IV are reviewed and found to be not supported by recent experimental data.

  4. Understanding Group/Party Affiliation Using Social Networks and Agent-Based Modeling

    NASA Technical Reports Server (NTRS)

    Campbell, Kenyth

    2012-01-01

    The dynamics of group affiliation and group dispersion is a concept that is most often studied in order for political candidates to better understand the most efficient way to conduct their campaigns. While political campaigning in the United States is a very hot topic that most politicians analyze and study, the concept of group/party affiliation presents its own area of study that producers very interesting results. One tool for examining party affiliation on a large scale is agent-based modeling (ABM), a paradigm in the modeling and simulation (M&S) field perfectly suited for aggregating individual behaviors to observe large swaths of a population. For this study agent based modeling was used in order to look at a community of agents and determine what factors can affect the group/party affiliation patterns that are present. In the agent-based model that was used for this experiment many factors were present but two main factors were used to determine the results. The results of this study show that it is possible to use agent-based modeling to explore group/party affiliation and construct a model that can mimic real world events. More importantly, the model in the study allows for the results found in a smaller community to be translated into larger experiments to determine if the results will remain present on a much larger scale.

  5. Multi-scale approach to the modeling of fission gas discharge during hypothetical loss-of-flow accident in gen-IV sodium fast reactor

    SciTech Connect

    Behafarid, F.; Shaver, D. R.; Bolotnov, I. A.; Jansen, K. E.; Antal, S. P.; Podowski, M. Z.

    2012-07-01

    The required technological and safety standards for future Gen IV Reactors can only be achieved if advanced simulation capabilities become available, which combine high performance computing with the necessary level of modeling detail and high accuracy of predictions. The purpose of this paper is to present new results of multi-scale three-dimensional (3D) simulations of the inter-related phenomena, which occur as a result of fuel element heat-up and cladding failure, including the injection of a jet of gaseous fission products into a partially blocked Sodium Fast Reactor (SFR) coolant channel, and gas/molten sodium transport along the coolant channels. The computational approach to the analysis of the overall accident scenario is based on using two different inter-communicating computational multiphase fluid dynamics (CMFD) codes: a CFD code, PHASTA, and a RANS code, NPHASE-CMFD. Using the geometry and time history of cladding failure and the gas injection rate, direct numerical simulations (DNS), combined with the Level Set method, of two-phase turbulent flow have been performed by the PHASTA code. The model allows one to track the evolution of gas/liquid interfaces at a centimeter scale. The simulated phenomena include the formation and breakup of the jet of fission products injected into the liquid sodium coolant. The PHASTA outflow has been averaged over time to obtain mean phasic velocities and volumetric concentrations, as well as the liquid turbulent kinetic energy and turbulence dissipation rate, all of which have served as the input to the core-scale simulations using the NPHASE-CMFD code. A sliding window time averaging has been used to capture mean flow parameters for transient cases. The results presented in the paper include testing and validation of the proposed models, as well the predictions of fission-gas/liquid-sodium transport along a multi-rod fuel assembly of SFR during a partial loss-of-flow accident. (authors)

  6. A hierarchical (multicomponent) model of in-group identification: examining in Russian samples.

    PubMed

    Lovakov, Andrey V; Agadullina, Elena R; Osin, Evgeny N

    2015-01-01

    The aim of this study was to examine the validity and reliability of Leach et al.'s (2008) model of in-group identification in two studies using Russian samples (overall N = 621). In Study 1, a series of multi-group confirmatory factor analysis revealed that the hierarchical model of in-group identification, which included two second-order factors, self-definition (individual self-stereotyping, and in-group homogeneity) and self-investment (satisfaction, solidarity, and centrality), fitted the data well for all four group identities (ethnic, religious, university, and gender) (CFI > .93, TLI > .92, RMSEA < .06, SRMR < .06) and demonstrated a better fit, compared to the alternative models. In Study 2, the construct validity and reliability of the Russian version of the in-group identification measure was examined. Results show that these measures have adequate psychometric properties. In short, our results show that Leach et al.'s model is reproduced in Russian culture. The Russian version of this measure can be recommended for use in future in-group research in Russian-speaking samples. PMID:26037464

  7. Bio-inspired group modeling and analysis for intruder detection in mobile sensor/robotic networks.

    PubMed

    Fu, Bo; Xiao, Yang; Liang, Xiannuan; Philip Chen, C L

    2015-01-01

    Although previous bio-inspired models have concentrated on invertebrates (such as ants), mammals such as primates with higher cognitive function are valuable for modeling the increasingly complex problems in engineering. Understanding primates' social and communication systems, and applying what is learned from them to engineering domains is likely to inspire solutions to a number of problems. This paper presents a novel bio-inspired approach to determine group size by researching and simulating primate society. Group size does matter for both primate society and digital entities. It is difficult to determine how to group mobile sensors/robots that patrol in a large area when many factors are considered such as patrol efficiency, wireless interference, coverage, inter/intragroup communications, etc. This paper presents a simulation-based theoretical study on patrolling strategies for robot groups with the comparison of large and small groups through simulations and theoretical results. PMID:24846688

  8. The validity of Cloninger's psychobiological model versus the five-factor model to predict DSM-IV personality disorders in a heterogeneous psychiatric sample: domain facet and residualized facet descriptions.

    PubMed

    De Fruyt, Filip; De Clercq, Barbara J; van de Wiele, Lieve; Van Heeringen, Kees

    2006-04-01

    The validity of Cloninger's psychobiological model and the Five-Factor Model of personality to predict DSM-IV personality disorders was examined in a psychiatric in-patient sample of 130 individuals. Patients completed Dutch authorized versions of the TCI (Cloninger, Svrakic, & Przybeck, 1993) and the NEO PI-R (Costa & McCrae, 1992) and were also administered the ADP-IV (Schotte & De Doncker, 1994), a Dutch self-report questionnaire to assess Axis-II disorders. No personality-descriptive model proved to be superior in explaining personality disorder symptoms at the higher-order level: the TCI dimensions better explained the Obsessive-Compulsive and the Narcissistic disorders, whereas the FFM accounted for more variance of the Avoidant disorder. However, differences were apparent at the lower-order level with the NEO facets out performing the TCI subscales for six to four personality disorders. FFM facet-level predictions of Widiger, Trull, Clarkin, Sanderson, and Costa (2002) were partially confirmed, with substantially better results using residualized facet scores. A set of TCI subscale personality disorder relationships is suggested. PMID:16529584

  9. Control of melanoma cell invasion by type IV collagen.

    PubMed

    Pasco, Sylvie; Brassart, Bertrand; Ramont, Laurent; Maquart, François-Xavier; Monboisse, Jean-Claude

    2005-01-01

    Malignant melanoma is the leading cause of death from diseases of the skin. This review summarizes the data from the literature and our laboratory addressing the effects of type IV collagen on melanoma progression. Many different sequences from type IV collagen promote melanoma cell adhesion, migration and invasion. The triple helical conformation of the collagenous domain plays a critical role in some of these interactions. However, recent studies from our group demonstrated that a sequence from the alpha3(IV) NC1 domain inhibits melanoma cell proliferation, migration and invasion by decreasing MMP production and activation. Peptide sequences from the alpha1(IV), alpha2(IV) and alpha3(IV) chains named arresten, canstatin and tumstatin, respectively were shown to inhibit angiogenesis. Further investigations regarding the inhibitory effects of the alpha(IV) NC1 domains will have a paramount relevance for the design of efficient strategies to limit melanoma development. PMID:15936594

  10. A model for group-size-dependent behaviour decisions in insects using an oscillator network.

    PubMed

    Funato, Tetsuro; Nara, Masahito; Kurabayashi, Daisuke; Ashikaga, Masatoshi; Aonuma, Hitoshi

    2011-07-15

    Aggressive behaviour within pairs of male crickets leads to the establishment of a dominance hierarchy. Defeated males avoid their victorious adversaries for several hours before regaining aggressiveness. However, the defeated male does not regain aggressiveness if repeated fighting occurs. Loss of individual aggressiveness is limited by group size, which constrains the number of crickets fighting at any given time. Thus, group aggressive behaviour is modulated by an environmental factor, group size, which is ultimately determined by individual actions, i.e. fighting between two individuals. We developed a robot model to elucidate the mechanism of group-size-dependent behaviour alternation in crickets. The behaviour of individual robots was evaluated experimentally with mobile robots and the group behaviour of the robots was evaluated by computer simulation. We demonstrated that the group-size-dependent strategy in crickets could be generated by local interactions between robots, where the behaviour was governed by an oscillator and memory of the outcome of previous fights. PMID:21697435

  11. Behaviour Modelling, Instruction and Exploration Training Approaches in Group and Individual Contexts

    ERIC Educational Resources Information Center

    Truman, G. E.

    2009-01-01

    Behaviour modelling has been associated with higher learning outcomes compared to other training approaches. These cumulative research findings create imperative to examine underlying causal mechanisms or contingency factors that may promote behaviour modelling's advantages even further. We propose group-based learning as one contingency factor…

  12. Small-Group Reading Instruction: A Differentiated Teaching Model for Intermediate Readers, Grades 3-8

    ERIC Educational Resources Information Center

    Tyner, Beverly; Green, Sharon E.

    2005-01-01

    Teachers at the intermediate level can now take advantage of the small-group differentiated reading model introduced to the early learning community in Beverly Tyner's bestseller of 2004. This classroom-tested, research-based model supports reading, writing, and spelling as integrated processes. Differentiated instruction can help the reader meet…

  13. Self-disclosure Modeling in Same-sex and Mixed-sex Unsupervised Groups

    ERIC Educational Resources Information Center

    Annis, Lawrence V.; Perry, Donald F.

    1977-01-01

    Effects of videotaped models in eliciting self-disclosure were assessed for men and women in unsupervised groups of one or both sexes. Videotaped modeling was clearly superior to a control condition in increasing self-disclosure. Females generally displayed more self-disclosure than males. (Author)

  14. Cross-Cultural Group Counseling with Asians: A Stage-Specific Interactive Model.

    ERIC Educational Resources Information Center

    Han, Yeonhee Sohn; Chen, Mei-Whei

    A model for offering culturally and developmentally responsive interventions in cross-cultural groups with Asian members is provided. The "stage-specific interactive model" is based on four factors: (1) the stage of Asian clients' ethnic identity development; (2) the stage of White leaders' ethnic identity development; (3) the unique interacting…

  15. STORMWATER AND WATER QUALITY MODEL USERS GROUP MEETING - PROCEEDINGS HELD ON JANUARY 27-28, 1983

    EPA Science Inventory

    This report includes 17 papers on topics related to the development and application of computer-based mathematical models for water quality and quantity management presented at the semi-annual meeting of the Joint U.S. Canadian Storm-water and Water Quality Model Users Group held...

  16. Testing the cognitive-behavioural maintenance models across DSM-5 bulimic-type eating disorder diagnostic groups: a multi-centre study.

    PubMed

    Dakanalis, Antonios; Carrà, Giuseppe; Calogero, Rachel; Zanetti, Maria Assunta; Gaudio, Santino; Caccialanza, Riccardo; Riva, Giuseppe; Clerici, Massimo

    2015-12-01

    The original cognitive-behavioural (CB) model of bulimia nervosa, which provided the basis for the widely used CB therapy, proposed that specific dysfunctional cognitions and behaviours maintain the disorder. However, amongst treatment completers, only 40-50 % have a full and lasting response. The enhanced CB model (CB-E), upon which the enhanced version of the CB treatment was based, extended the original approach by including four additional maintenance factors. This study evaluated and compared both CB models in a large clinical treatment seeking sample (N = 679), applying both DSM-IV and DSM-5 criteria for bulimic-type eating disorders. Application of the DSM-5 criteria reduced the number of cases of DSM-IV bulimic-type eating disorders not otherwise specified to 29.6 %. Structural equation modelling analysis indicated that (a) although both models provided a good fit to the data, the CB-E model accounted for a greater proportion of variance in eating-disordered behaviours than the original one, (b) interpersonal problems, clinical perfectionism and low self-esteem were indirectly associated with dietary restraint through over-evaluation of shape and weight, (c) interpersonal problems and mood intolerance were directly linked to binge eating, whereas restraint only indirectly affected binge eating through mood intolerance, suggesting that factors other than restraint may play a more critical role in the maintenance of binge eating. In terms of strength of the associations, differences across DSM-5 bulimic-type eating disorder diagnostic groups were not observed. The results are discussed with reference to theory and research, including neurobiological findings and recent hypotheses. PMID:25416408

  17. Predicting mortality from burns: the need for age-group specific models.

    PubMed

    Taylor, Sandra L; Lawless, MaryBeth; Curri, Terese; Sen, Soman; Greenhalgh, David G; Palmieri, Tina L

    2014-09-01

    Traditional burn mortality models are derived using all age groups. We hypothesized that age variably impacts mortality after burn and that age-specific models for children, adults, and seniors will more accurately predict mortality than an all-ages model. We audited data from the American Burn Association (ABA) National Burn Repository (NBR) from 2000 to 2009 and used mixed effect logistic regression models to assess the influence of age, total body surface area (TBSA) burn, and inhalation injury on mortality. Mortality models were constructed for all ages and age-specific models: children (<18 years), adults (18-60 years), and seniors (>60 years). Model performance was assessed by area under the receiver operating curve (AUC). Main effect and two-way interactions were used to construct age-group specific mortality models. Each age-specific model was compared to the All Ages model. Of 286,293 records 100,051 had complete data. Overall mortality was 4% but varied by age (17% seniors, <1% children). Age, TBSA, and inhalation injury were significant mortality predictors for all models (p<0.05). Differences in predicted mortality between the All Ages model and the age-specific models occurred in children and seniors. In the age-specific pediatric model, predicted mortality decreased with age; inhalation injury had greater effect on mortality than in the All Ages model. In the senior model mortality increased with age. Seniors had greater increase in mortality per 1% increment in burn size and 1 year increase in age than other ages. The predicted mortality in seniors using the senior-specific model was higher than in the All Ages model. "One size fits all" models for predicting burn outcomes do not accurately reflect the outcomes for seniors and children. Age-specific models for children and seniors may be advisable. PMID:24846014

  18. Oxovanadium(IV) complexes of bioinorganic and medicinal relevance: Synthesis, characterization and 3D molecular modeling and analysis of some oxovanadium(IV) complexes involving the O, N-donor environment of pyrazolone-based sulfa drug Schiff bases

    NASA Astrophysics Data System (ADS)

    Maurya, R. C.; Rajput, S.

    2006-08-01

    Four new oxovanadium(IV) complexes, formed by the interaction of vanadyl sulfate pentahydrate and the Schiff bases derived from 3-methyl-1-phenyl-4-valeryl-2-pyrazolin-5-one and the sulfa drugs, N-(3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-one)sulfadiazine (L 1H), N-(3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-)sulfaguanidine (L 2H), N-(3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-one)sulphanilamide (L 3H) and N'(-3'-methyl-1'-phenyl-4'-valerylidene-2'-pyrazolin-5'-one)sulphamethoxazole (L 4H) in aqueous ethanol are described. The resulting complexes were characterized by elemental analyses, molar conductances, magnetic and decomposition temperature measurements, cyclic voltammetry, electron spin resonance, infrared and electronic spectral studies. They have the composition [VO(L) 2]·H 2O, where LH=Schiff base L 1H, L 2H, L 3H or L 4H mentioned above. A square-pyramidal structure having a slight ⋯V dbnd6 O⋯V dbnd6 O⋯ type interaction has been proposed for these complexes.

  19. Optimizing IV and V for Mature Organizations

    NASA Technical Reports Server (NTRS)

    Fuhman, Christopher

    2003-01-01

    NASA is intending for its future software development agencies to have at least a Level 3 rating in the Carnegie Mellon University Capability Maturity Model (CMM). The CMM has built-in Verification and Validation (V&V) processes that support higher software quality. Independent Verification and Validation (IV&V) of software developed by mature agencies can be therefore more effective than for software developed by less mature organizations. How is Independent V&V different with respect to the maturity of an organization? Knowing a priori the maturity of an organization's processes, how can IV&V planners better identify areas of need choose IV&V activities, etc? The objective of this research is to provide a complementary set of guidelines and criteria to assist the planning of IV&V activities on a project using a priori knowledge of the measurable levels of maturity of the organization developing the software.

  20. Dilithium hexaorganostannate(IV) compounds.

    PubMed

    Schrader, Ireen; Zeckert, Kornelia; Zahn, Stefan

    2014-12-01

    Hypercoordination of main-group elements such as the heavier Group 14 elements (silicon, germanium, tin, and lead) usually requires strong electron-withdrawing ligands and/or donating groups. Herein, we present the synthesis and characterization of two hexaaryltin(IV) dianions in form of their dilithium salts [Li2(thf)2{Sn(2-py(Me))6}] (py(Me)=C5H3N-5-Me) (2) and [Li2{Sn(2-py(OtBu))6}] (py(OtBu)=C5H3N-6-OtBu) (3). Both complexes are stable in the solid state and solution under inert conditions. Theoretical investigations of compound 2 reveal a significant valence 5s-orbital contribution of the tin atom forming six strongly polarized tin-carbon bonds. PMID:25314245