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Sample records for model jedi ii

  1. Jobs and Economic Development Impacts from Small Wind: JEDI Model in the Works (Presentation)

    SciTech Connect

    Tegen, S.

    2012-06-01

    This presentation covers the National Renewable Energy Laboratory's role in economic impact analysis for wind power Jobs and Economic Development Impacts (JEDI) models, JEDI results, small wind JEDI specifics, and a request for information to complete the model.

  2. JEDI: Jobs and Economic Development Impacts Model Fact Sheet

    SciTech Connect

    S. Hendrickson; S.Tegen

    2009-12-01

    The Jobs and Economic Development Impact (JEDI) models are user-friendly tools that estimate the economic impacts of constructing and operating power generation and biofuel plants at the local(usually state) level. First developed by NREL's Wind Powering America program to model wind energy jobs and impacts, JEDI has been expanded to biofuels,concentrating solar power, coal, and natural gas power plants.

  3. JEDI Marine and Hydrokinetic Model: User Reference Guide

    SciTech Connect

    Goldberg, M.; Previsic, M.

    2011-04-01

    The Jobs and Economic Development Impact Model (JEDI) for Marine and Hydrokinetics (MHK) is a user-friendly spreadsheet-based tool designed to demonstrate the economic impacts associated with developing and operating MHK power systems in the United States. The JEDI MHK User Reference Guide was developed to assist users in using and understanding the model. This guide provides information on the model's underlying methodology, as well as the sources and parameters used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features, operation of the model, and a discussion of how the results should be interpreted.

  4. JEDI: Jobs and Economic Development Impacts Model, National Renewable Energy Laboratory (NREL) (Fact Sheet)

    SciTech Connect

    Not Available

    2009-12-01

    The Jobs and Economic Development Impact (JEDI) models are user-friendly tools that estimate the economic impacts of constructing and operating power generation and biofuel plants at the local (usually state) level. First developed by NREL's Wind Powering America program to model wind energy jobs and impacts, JEDI has been expanded to biofuels, concentrating solar power, coal, and natural gas power plants. Based on project-specific and default inputs (derived from industry norms), JEDI estimates the number of jobs and economic impacts to a local area (usually a state) that could reasonably be supported by a power generation project. For example, JEDI estimates the number of in-state construction jobs from a new wind farm. This fact sheet provides an overview of the JEDI model as it pertains to wind energy projects.

  5. JEDI: Jobs and Economic Development Impact Model; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    2015-08-01

    The Jobs and Economic Development Impact (JEDI) models are user-friendly tools that estimate the economic impacts of constructing and operating power generation and biofuel plants at the local (usually state) level. First developed by NREL’s researchers to model wind energy jobs and impacts, JEDI has been expanded to also estimate the economic impacts of biofuels, coal, conventional hydro, concentrating solar power, geothermal, marine and hydrokinetic power, natural gas, photovoltaics, and transmission lines. This fact sheet focuses on JEDI for wind energy projects.

  6. Jobs and Economic Development Impact (JEDI) Model: Offshore Wind User Reference Guide

    SciTech Connect

    Lantz, E.; Goldberg, M.; Keyser, D.

    2013-06-01

    The Offshore Wind Jobs and Economic Development Impact (JEDI) model, developed by NREL and MRG & Associates, is a spreadsheet based input-output tool. JEDI is meant to be a user friendly and transparent tool to estimate potential economic impacts supported by the development and operation of offshore wind projects. This guide describes how to use the model as well as technical information such as methodology, limitations, and data sources.

  7. Assessment of the Value, Impact, and Validity of the Jobs and Economic Development Impacts (JEDI) Suite of Models

    SciTech Connect

    Billman, L.; Keyser, D.

    2013-08-01

    The Jobs and Economic Development Impacts (JEDI) models, developed by the National Renewable Energy Laboratory (NREL) for the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE), use input-output methodology to estimate gross (not net) jobs and economic impacts of building and operating selected types of renewable electricity generation and fuel plants. This analysis provides the DOE with an assessment of the value, impact, and validity of the JEDI suite of models. While the models produce estimates of jobs, earnings, and economic output, this analysis focuses only on jobs estimates. This validation report includes an introduction to JEDI models, an analysis of the value and impact of the JEDI models, and an analysis of the validity of job estimates generated by JEDI model through comparison to other modeled estimates and comparison to empirical, observed jobs data as reported or estimated for a commercial project, a state, or a region.

  8. Transmission Line Jobs and Economic Development Impact (JEDI) Model User Reference Guide

    SciTech Connect

    Goldberg, M.; Keyser, D.

    2013-10-01

    The Jobs and Economic Development Impact (JEDI) models, developed through the National Renewable Energy Laboratory (NREL), are freely available, user-friendly tools that estimate the potential economic impacts of constructing and operating power generation projects for a range of conventional and renewable energy technologies. The Transmission Line JEDI model can be used to field questions about the economic impacts of transmission lines in a given state, region, or local community. This Transmission Line JEDI User Reference Guide was developed to provide basic instruction on operating the model and understanding the results. This guide also provides information on the model's underlying methodology, as well as the parameters and references used to develop the cost data contained in the model.

  9. Jobs and Economic Development Impact (JEDI) User Reference Guide: Fast Pyrolysis Biorefinery Model

    SciTech Connect

    Zhang, Y.; Goldberg, M.

    2015-02-01

    This guide -- the JEDI Fast Pyrolysis Biorefinery Model User Reference Guide -- was developed to assist users in operating and understanding the JEDI Fast Pyrolysis Biorefinery Model. The guide provides information on the model's underlying methodology, as well as the parameters and data sources used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features and a discussion of how the results should be interpreted. Based on project-specific inputs from the user, the JEDI Fast Pyrolysis Biorefinery Model estimates local (e.g., county- or state-level) job creation, earnings, and output from total economic activity for a given fast pyrolysis biorefinery. These estimates include the direct, indirect and induced economic impacts to the local economy associated with the construction and operation phases of biorefinery projects.Local revenue and supply chain impacts as well as induced impacts are estimated using economic multipliers derived from the IMPLAN software program. By determining the local economic impacts and job creation for a proposed biorefinery, the JEDI Fast Pyrolysis Biorefinery Model can be used to field questions about the added value biorefineries might bring to a local community.

  10. Jobs and Economic Development Impact (JEDI) Model Geothermal User Reference Guide

    SciTech Connect

    Johnson, C.; Augustine, C.; Goldberg, M.

    2012-09-01

    The Geothermal Jobs and Economic Development Impact (JEDI) model, developed through the National Renewable Energy Laboratory (NREL), is an Excel-based user-friendly tools that estimates the economic impacts of constructing and operating hydrothermal and Enhanced Geothermal System (EGS) power generation projects at the local level for a range of conventional and renewable energy technologies. The JEDI Model Geothermal User Reference Guide was developed to assist users in using and understanding the model. This guide provides information on the model's underlying methodology, as well as the parameters and references used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features, operation of the model, and a discussion of how the results should be interpreted.

  11. Petroleum Refinery Jobs and Economic Development Impact (JEDI) Model User Reference Guide

    SciTech Connect

    Goldberg, M.

    2013-12-31

    The Jobs and Economic Development Impact (JEDI) models, developed through the National Renewable Energy Laboratory (NREL), are user-friendly tools utilized to estimate the economic impacts at the local level of constructing and operating fuel and power generation projects for a range of conventional and renewable energy technologies. The JEDI Petroleum Refinery Model User Reference Guide was developed to assist users in employing and understanding the model. This guide provides information on the model's underlying methodology, as well as the parameters and references used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features, operation of the model, and a discussion of how the results should be interpreted. Based on project-specific inputs from the user, the model estimates job creation, earning and output (total economic activity) for a given petroleum refinery. This includes the direct, indirect and induced economic impacts to the local economy associated with the refinery's construction and operation phases. Project cost and job data used in the model are derived from the most current cost estimations available. Local direct and indirect economic impacts are estimated using economic multipliers derived from IMPLAN software. By determining the regional economic impacts and job creation for a proposed refinery, the JEDI Petroleum Refinery model can be used to field questions about the added value refineries may bring to the local community.

  12. von Willebrand factor, Jedi knight of the bloodstream.

    PubMed

    Springer, Timothy A

    2014-08-28

    When blood vessels are cut, the forces in the bloodstream increase and change character. The dark side of these forces causes hemorrhage and death. However, von Willebrand factor (VWF), with help from our circulatory system and platelets, harnesses the same forces to form a hemostatic plug. Force and VWF function are so closely intertwined that, like members of the Jedi Order in the movie Star Wars who learn to use "the Force" to do good, VWF may be considered the Jedi knight of the bloodstream. The long length of VWF enables responsiveness to flow. The shape of VWF is predicted to alter from irregularly coiled to extended thread-like in the transition from shear to elongational flow at sites of hemostasis and thrombosis. Elongational force propagated through the length of VWF in its thread-like shape exposes its monomers for multimeric binding to platelets and subendothelium and likely also increases affinity of the A1 domain for platelets. Specialized domains concatenate and compact VWF during biosynthesis. A2 domain unfolding by hydrodynamic force enables postsecretion regulation of VWF length. Mutations in VWF in von Willebrand disease contribute to and are illuminated by VWF biology. I attempt to integrate classic studies on the physiology of hemostatic plug formation into modern molecular understanding, and point out what remains to be learned. PMID:24928861

  13. von Willebrand factor, Jedi knight of the bloodstream

    PubMed Central

    2014-01-01

    When blood vessels are cut, the forces in the bloodstream increase and change character. The dark side of these forces causes hemorrhage and death. However, von Willebrand factor (VWF), with help from our circulatory system and platelets, harnesses the same forces to form a hemostatic plug. Force and VWF function are so closely intertwined that, like members of the Jedi Order in the movie Star Wars who learn to use “the Force” to do good, VWF may be considered the Jedi knight of the bloodstream. The long length of VWF enables responsiveness to flow. The shape of VWF is predicted to alter from irregularly coiled to extended thread-like in the transition from shear to elongational flow at sites of hemostasis and thrombosis. Elongational force propagated through the length of VWF in its thread-like shape exposes its monomers for multimeric binding to platelets and subendothelium and likely also increases affinity of the A1 domain for platelets. Specialized domains concatenate and compact VWF during biosynthesis. A2 domain unfolding by hydrodynamic force enables postsecretion regulation of VWF length. Mutations in VWF in von Willebrand disease contribute to and are illuminated by VWF biology. I attempt to integrate classic studies on the physiology of hemostatic plug formation into modern molecular understanding, and point out what remains to be learned. PMID:24928861

  14. The Jupiter Energetic Particle Detector Instrument (JEDI) Investigation for the Juno Mission

    NASA Astrophysics Data System (ADS)

    Mauk, B. H.; Haggerty, D. K.; Jaskulek, S. E.; Schlemm, C. E.; Brown, L. E.; Cooper, S. A.; Gurnee, R. S.; Hammock, C. M.; Hayes, J. R.; Ho, G. C.; Hutcheson, J. C.; Jacques, A. D.; Kerem, S.; Kim, C. K.; Mitchell, D. G.; Nelson, K. S.; Paranicas, C. P.; Paschalidis, N.; Rossano, E.; Stokes, M. R.

    2013-11-01

    The Jupiter Energetic Particle Detector Instruments (JEDI) on the Juno Jupiter polar-orbiting, atmosphere-skimming, mission to Jupiter will coordinate with the several other space physics instruments on the Juno spacecraft to characterize and understand the space environment of Jupiter's polar regions, and specifically to understand the generation of Jupiter's powerful aurora. JEDI comprises 3 nearly-identical instruments and measures at minimum the energy, angle, and ion composition distributions of ions with energies from H:20 keV and O: 50 keV to >1 MeV, and the energy and angle distribution of electrons from <40 to >500 keV. Each JEDI instrument uses microchannel plates (MCP) and thin foils to measure the times of flight (TOF) of incoming ions and the pulse height associated with the interaction of ions with the foils, and it uses solid state detectors (SSD's) to measure the total energy (E) of both the ions and the electrons. The MCP anodes and the SSD arrays are configured to determine the directions of arrivals of the incoming charged particles. The instruments also use fast triple coincidence and optimum shielding to suppress penetrating background radiation and incoming UV foreground. Here we describe the science objectives of JEDI, the science and measurement requirements, the challenges that the JEDI team had in meeting these requirements, the design and operation of the JEDI instruments, their calibrated performances, the JEDI inflight and ground operations, and the initial measurements of the JEDI instruments in interplanetary space following the Juno launch on 5 August 2011. Juno will begin its prime science operations, comprising 32 orbits with dimensions 1.1×40 RJ, in mid-2016.

  15. User-Friendly Tool to Calculate Economic Impacts from Coal, Natural Gas, and Wind: The Expanded Jobs and Economic Development Impact Model (JEDI II); Preprint

    SciTech Connect

    Tegen, S.; Goldberg, M.; Milligan, M.

    2006-06-01

    In this paper we examine the impacts of building new coal, gas, or wind plants in three states: Colorado, Michigan, and Virginia. Our findings indicate that local/state economic impacts are directly related to the availability and utilization of local industries and services to build and operate the power plant. For gas and coal plants, the economic benefit depends significantly on whether the fuel is obtained from within the state, out of state, or some combination. We also find that the taxes generated by power plants can have a significant impact on local economies via increased expenditures on public goods.

  16. Juno JEDI high latitude snapshot of Earth's energetic charged particle distributions during the coordinated Juno spacecraft encounter with Earth

    NASA Astrophysics Data System (ADS)

    Paranicas, C.; Mauk, B.; Haggerty, D. K.; Schlemm, C.; Jaskulek, S.; Kim, C.; Brown, L. E.; Bagenal, F.; Thorne, R. M.

    2013-12-01

    NASA's Juno spacecraft will begin its orbit of Jupiter in mid-2016. During Juno's gravity assist encounter with Earth on October 9, 2013, the Jupiter Energetic Particle Detector Instrument (JEDI) will take measurements of the energetic electron and ion distributions at relatively high latitudes. These measurements will contribute substantially to a coordinated activity to obtain a comprehensive characterization of Earth's space environment during the encounter period. Here we present and describe the JEDI measurements and discuss them in the context of measurements taken at the same time, including those obtained by the Van Allen Probes mission. JEDI comprises three nearly identical energetic charged particle sensors. Each sensor detects energetic electrons (above 25 keV up to > 1000 keV) and energetic ions (about 20 keV to > 1 MeV for protons, and 50 keV to > 10 MeV for oxygen and sulfur) with high energy, time, and angular resolution. Two of the sensors are fans viewing almost entirely in the plane perpendicular to Juno's high-gain antenna. The third fan is perpendicular to this plane, so that combined with the spacecraft spin rate of about 2 rpm, nearly the whole sky is sampled every 30 s. During the gravitational assist encounter of Earth, JEDI obtains continuous data from about 3 days prior to closest approach through at least 2 weeks after closest approach. This will include data obtained outside and through the bow shock and magnetosheath, to deep within the magnetosphere. Due to the low flyby altitude of about 560 km, JEDI will operate its high voltage (thereby obtaining ion composition information) only outside of a few RE geocentric distances. Also, by using the so-called witness detectors, on one of the three sensors, the instrument is expected to obtain an integral channel measurement inside the radiation belts.

  17. Beyond the Standard Model II

    NASA Astrophysics Data System (ADS)

    Milton, Kimball A.; Kantowski, Ronald; Samuel, Mark A.

    1991-07-01

    Future Prospects * Quantum Mechanics at the Black Hole Horizon * Target-Space Duality and the Curse of the Wormhole * Mass Enhancement and Critical Behavior in Technicolor Theories * Proton-Proton and Proton-Antiproton Elastic Scattering at High Energies - Theory, Phenomenology, and Experiment * Gauge Masses in String Field Theory * An Introduction to Bosonic Technicolor * Anyonic Superconductivity * Hunting the Higgs Boson at LEP with OPAL * Beyond the Standard Model - The Sextet Quarks Way * Dynamical Breakdown of Z2 and Parity in QED3 with Fermion Self-Coupling * Scaling Properties of QED3 with Fermion Self-Couplings * Wheeler-DeWitt Quantum Gravity in (2+1) Dimensions * Kac-Moody Algebras from Covariantization of the Lax Operators * An Upper Bound on the Higgs Mass * Suppression of the Vacuum Energy Expectation Value * Lorentz Covariance of Quantum Fluctuations in Quantum Field Theory * The Gauge Invariance of the Critical Curve in Strong-coupling Gauge Theory * Heavy W Decays into Sfermions and a Photon * New Insights on Majoron Models * Program of Beyond the Standard Model II * List of Participants

  18. ExodusII Finite Element Data Model

    Energy Science and Technology Software Center (ESTSC)

    2005-05-14

    EXODUS II is a model developed to store and retrieve data for finite element analyses. It is used for preprocessing (problem definition), postprocessing (results visualization), as well as code to code data transfer. An EXODUS II data file is a random access, machine independent, binary file that is written and read via C, C++, or Fortran library routines which comprise the Application Programming Interface. (exodus II is based on netcdf)

  19. Hearing on H.R. 2246, Jobs for Employable Dependent Individuals "JEDI." Hearing before the Subcommittee on Employment Opportunities of the Committee on Education and Labor. House of Representatives, One Hundredth Congress, Second Session.

    ERIC Educational Resources Information Center

    Congress of the U.S., Washington, DC. House Committee on Education and Labor.

    This hearing reviews testimony concerning H.R. 2246, the Jobs for Employable Dependent Individuals Act (JEDI). JEDI is a voluntary program whereby states receive additional funds to fight the problem of chronic welfare dependency and poverty. The bill would require the existing Job Training Partnership Act (JTPA) to target job training efforts at…

  20. Inert doublet model and LEP II limits

    SciTech Connect

    Lundstroem, Erik; Gustafsson, Michael; Edsjoe, Joakim

    2009-02-01

    The inert doublet model is a minimal extension of the standard model introducing an additional SU(2) doublet with new scalar particles that could be produced at accelerators. While there exists no LEP II analysis dedicated for these inert scalars, the absence of a signal within searches for supersymmetric neutralinos can be used to constrain the inert doublet model. This translation however requires some care because of the different properties of the inert scalars and the neutralinos. We investigate what restrictions an existing DELPHI Collaboration study of neutralino pair production can put on the inert scalars and discuss the result in connection with dark matter. We find that although an important part of the inert doublet model parameter space can be excluded by the LEP II data, the lightest inert particle still constitutes a valid dark matter candidate.

  1. Line emission from H II blister models

    NASA Technical Reports Server (NTRS)

    Rubin, R. H.

    1984-01-01

    Numerical techniques to calculate the thermal and geometric properties of line emission from H II 'blister' regions are presented. It is assumed that the density distributions of the H II regions are a function of two dimensions, with rotational symmetry specifying the shape in three-dimensions. The thermal and ionization equilibrium equations of the problem are solved by spherical modeling, and a spherical sector approximation is used to simplify the three-dimensional treatment of diffuse ionizing radiation. The global properties of H II 'blister' regions near the edges of a molecular cloud are simulated by means of the geometry/density distribution, and the results are compared with observational data. It is shown that there is a monotonic increase of peak surface brightness from the i = 0 deg (pole-on) observational position to the i = 90 deg (edge-on) position. The enhancement of the line peak intensity from the edge-on to the pole-on positions is found to depend on the density, stratification, ionization, and electron temperature weighting. It is found that as i increases, the position of peak line brightness of the lower excitation species is displaced to the high-density side of the high excitation species.

  2. Physical properties of solar chromospheric plages. III - Models based on Ca II and Mg II observations

    NASA Technical Reports Server (NTRS)

    Kelch, W. L.; Linsky, J. L.

    1978-01-01

    Solar plages are modeled using observations of both the Ca II K and the Mg II h and k lines. A partial-redistribution approach is employed for calculating the line profiles on the basis of a grid of five model chromospheres. The computed integrated emission intensities for the five atmospheric models are compared with observations of six regions on the sun as well as with models of active-chromosphere stars. It is concluded that the basic plage model grid proposed by Shine and Linsky (1974) is still valid when the Mg II lines are included in the analysis and the Ca II and Mg II lines are analyzed using partial-redistribution diagnostics.

  3. Modeling Topaz-II system performance

    SciTech Connect

    Lee, H.H.; Klein, A.C. )

    1993-01-01

    The US acquisition of the Topaz-11 in-core thermionic space reactor test system from Russia provides a good opportunity to perform a comparison of the Russian reported data and the results from computer codes such as MCNP (Ref. 3) and TFEHX (Ref. 4). The comparison study includes both neutronic and thermionic performance analyses. The Topaz II thermionic reactor is modeled with MCNP using actual Russian dimensions and parameters. The computation of the neutronic performance considers several important aspects such as the fuel enrichment and location of the thermionic fuel elements (TFES) in the reactor core. The neutronic analysis included the calculation of both radial and axial power distribution, which are then used in the TFEHX code for electrical performance. The reactor modeled consists of 37 single-cell TFEs distributed in a 13-cm-radius zirconium hydride block surrounded by 8 cm of beryllium metal reflector. The TFEs use 90% enriched [sup 235]U and molybdenum coated with a thin layer of [sup 184]W for emitter surface. Electrons emitted are captured by a collector surface with a gap filled with cesium vapor between the collector and emitter surfaces. The collector surface is electrically insulated with alumina. Liquid NaK provides the cooling system for the TFEs. The axial thermal power distribution is obtained by dividing the TFE into 40 axial nodes. Comparison of the true axial power distribution with that produced by electrical heaters was also performed.

  4. Climate Model Datasets on Earth System Grid II (ESG II)

    DOE Data Explorer

    Earth System Grid (ESG) is a project that combines the power and capacity of supercomputers, sophisticated analysis servers, and datasets on the scale of petabytes. The goal is to provide a seamless distributed environment that allows scientists in many locations to work with large-scale data, perform climate change modeling and simulation,and share results in innovative ways. Though ESG is more about the computing environment than the data, still there are several catalogs of data available at the web site that can be browsed or search. Most of the datasets are restricted to registered users, but several are open to any access.

  5. PARALLEL MEASUREMENT AND MODELING OF TRANSPORT IN THE DARHT II BEAMLINE ON ETA II

    SciTech Connect

    Chambers, F W; Raymond, B A; Falabella, S; Lee, B S; Richardson, R A; Weir, J T; Davis, H A; Schultze, M E

    2005-05-31

    To successfully tune the DARHT II transport beamline requires the close coupling of a model of the beam transport and the measurement of the beam observables as the beam conditions and magnet settings are varied. For the ETA II experiment using the DARHT II beamline components this was achieved using the SUICIDE (Simple User Interface Connecting to an Integrated Data Environment) data analysis environment and the FITS (Fully Integrated Transport Simulation) model. The SUICIDE environment has direct access to the experimental beam transport data at acquisition and the FITS predictions of the transport for immediate comparison. The FITS model is coupled into the control system where it can read magnet current settings for real time modeling. We find this integrated coupling is essential for model verification and the successful development of a tuning aid for the efficient convergence on a useable tune. We show the real time comparisons of simulation and experiment and explore the successes and limitations of this close coupled approach.

  6. Modeling of copper(II) and zinc(II) extraction from chloride media with Kelex 100

    SciTech Connect

    Bogacki, M.B.; Zhivkova, S.; Kyuchoukov, G.; Szymanowski, J.

    2000-03-01

    The extraction of copper(II) and zinc(II) from acidic chloride solutions with protonated Kelex 100 (HL) was studied and the extraction isotherms were determined for systems containing individual metal ions and their mixtures. A chemical model was proposed and verified. It considers the coextraction of the following species: MCl{sub 4}(H{sub 2}L){sub 2}, MCl{sub 4}(H{sub 2}L){sub 2}{center_dot}HCl, MCl{sub 3}(H{sub 2}L), ML{sub 2}, and H{sub 2}L{center_dot}HCl. Zinc(II) is extracted as the metal ion pairs, while copper(II) can be extracted as the metal ion pair and the chelate. The model can be used to predict the effect of experimental conditions on extraction and coextraction of the metal ions considered.

  7. 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.

  8. Test cell modeling and optimization for FPD-II

    SciTech Connect

    Haney, S.W.; Fenstermacher, M.E.

    1985-04-10

    The Fusion Power Demonstration, Configuration II (FPD-II), will ba a DT burning tandem mirror facility with thermal barriers, designed as the next step engineering test reactor (ETR) to follow the tandem mirror ignition test machines. Current plans call for FPD-II to be a multi-purpose device. For approximately the first half of its lifetime, it will operate as a high-Q ignition machine designed to reach or exceed engineering break-even and to demonstrate the technological feasibility of tandem mirror fusion. The second half of its operation will focus on the evaluation of candidate reactor blanket designs using a neutral beam driven test cell inserted at the midplane of the 90 m long cell. This machine called FPD-II+T, uses an insert configuration similar to that used in the MFTF-..cap alpha..+T study. The modeling and optimization of FPD-II+T are the topic of the present paper.

  9. Aqueous Solution Vessel Thermal Model Development II

    SciTech Connect

    Buechler, Cynthia Eileen

    2015-10-28

    The work presented in this report is a continuation of the work described in the May 2015 report, “Aqueous Solution Vessel Thermal Model Development”. This computational fluid dynamics (CFD) model aims to predict the temperature and bubble volume fraction in an aqueous solution of uranium. These values affect the reactivity of the fissile solution, so it is important to be able to calculate them and determine their effects on the reaction. Part A of this report describes some of the parameter comparisons performed on the CFD model using Fluent. Part B describes the coupling of the Fluent model with a Monte-Carlo N-Particle (MCNP) neutron transport model. The fuel tank geometry is the same as it was in the May 2015 report, annular with a thickness-to-height ratio of 0.16. An accelerator-driven neutron source provides the excitation for the reaction, and internal and external water cooling channels remove the heat. The model used in this work incorporates the Eulerian multiphase model with lift, wall lubrication, turbulent dispersion and turbulence interaction. The buoyancy-driven flow is modeled using the Boussinesq approximation, and the flow turbulence is determined using the k-ω Shear-Stress-Transport (SST) model. The dispersed turbulence multiphase model is employed to capture the multiphase turbulence effects.

  10. On The Modeling of Educational Systems: II

    ERIC Educational Resources Information Center

    Grauer, Robert T.

    1975-01-01

    A unified approach to model building is developed from the separate techniques of regression, simulation, and factorial design. The methodology is applied in the context of a suburban school district. (Author/LS)

  11. Nyala and Bushbuck II: A Harvesting Model.

    ERIC Educational Resources Information Center

    Fay, Temple H.; Greeff, Johanna C.

    1999-01-01

    Adds a cropping or harvesting term to the animal overpopulation model developed in Part I of this article. Investigates various harvesting strategies that might suggest a solution to the overpopulation problem without actually culling any animals. (ASK)

  12. Predictive Models and Computational Toxicology (II IBAMTOX)

    EPA Science Inventory

    EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...

  13. Implementing the Ecosystem Model: Phase II.

    ERIC Educational Resources Information Center

    Schuh, John H.

    1978-01-01

    The ecosystem model was used to assess student perceptions of certain aspects of residential life at a large university. Over 70 percent of questionnaires were returned. From the data, aspects of the environment were changed according to student recommendations. A great need for more information communication was found. (RPG)

  14. NGC1300 dynamics - II. The response models

    NASA Astrophysics Data System (ADS)

    Kalapotharakos, C.; Patsis, P. A.; Grosbøl, P.

    2010-10-01

    We study the stellar response in a spectrum of potentials describing the barred spiral galaxy NGC1300. These potentials have been presented in a previous paper and correspond to three different assumptions as regards the geometry of the galaxy. For each potential we consider a wide range of Ωp pattern speed values. Our goal is to discover the geometries and the Ωp supporting specific morphological features of NGC1300. For this purpose we use the method of response models. In order to compare the images of NGC1300 with the density maps of our models, we define a new index which is a generalization of the Hausdorff distance. This index helps us to find out quantitatively which cases reproduce specific features of NGC1300 in an objective way. Furthermore, we construct alternative models following a Schwarzschild-type technique. By this method we vary the weights of the various energy levels, and thus the orbital contribution of each energy, in order to minimize the differences between the response density and that deduced from the surface density of the galaxy, under certain assumptions. We find that the models corresponding to Ωp ~ 16 and 22 kms-1kpc-1 are able to reproduce efficiently certain morphological features of NGC1300, with each one having its advantages and drawbacks. Based on observations collected at the European Southern Observatory, Chile: programme ESO 69.A-0021. E-mail: ckalapot@phys.uoa.gr (CK); patsis@academyofathens.gr (PAP); pgrosbol@eso.org (PG)

  15. PEP-II vacuum system pressure profile modeling using EXCEL

    SciTech Connect

    Nordby, M.; Perkins, C.

    1994-06-01

    A generic, adaptable Microsoft EXCEL program to simulate molecular flow in beam line vacuum systems is introduced. Modeling using finite-element approximation of the governing differential equation is discussed, as well as error estimation and program capabilities. The ease of use and flexibility of the spreadsheet-based program is demonstrated. PEP-II vacuum system models are reviewed and compared with analytical models.

  16. Dynamical models of a sample of Population II stars

    NASA Astrophysics Data System (ADS)

    Levison, H. F.; Richstone, D. O.

    1986-09-01

    Dynamical models are constructed in order to investigate the implications of recent kinematic data of distant Population II stars on the emissivity distribution of those stars. Models are constructed using a modified Schwarzschild method in two extreme scale-free potentials, spherical and E6 elliptical. Both potentials produce flat rotation curves and velocity dispersion profiles. In all models, the distribution of stars in this sample is flat. Moreover, it is not possible to construct a model with a strictly spheroidal emissivity distribution. Most models have dimples at the poles. The dynamics of the models indicate that the system is supported by both the third integral and z angular momentum.

  17. Multiwell experiment: reservoir modeling analysis, Volume II

    SciTech Connect

    Horton, A.I.

    1985-05-01

    This report updates an ongoing analysis by reservoir modelers at the Morgantown Energy Technology Center (METC) of well test data from the Department of Energy's Multiwell Experiment (MWX). Results of previous efforts were presented in a recent METC Technical Note (Horton 1985). Results included in this report pertain to the poststimulation well tests of Zones 3 and 4 of the Paludal Sandstone Interval and the prestimulation well tests of the Red and Yellow Zones of the Coastal Sandstone Interval. The following results were obtained by using a reservoir model and history matching procedures: (1) Post-minifracture analysis indicated that the minifracture stimulation of the Paludal Interval did not produce an induced fracture, and extreme formation damage did occur, since a 65% permeability reduction around the wellbore was estimated. The design for this minifracture was from 200 to 300 feet on each side of the wellbore; (2) Post full-scale stimulation analysis for the Paludal Interval also showed that extreme formation damage occurred during the stimulation as indicated by a 75% permeability reduction 20 feet on each side of the induced fracture. Also, an induced fracture half-length of 100 feet was determined to have occurred, as compared to a designed fracture half-length of 500 to 600 feet; and (3) Analysis of prestimulation well test data from the Coastal Interval agreed with previous well-to-well interference tests that showed extreme permeability anisotropy was not a factor for this zone. This lack of permeability anisotropy was also verified by a nitrogen injection test performed on the Coastal Red and Yellow Zones. 8 refs., 7 figs., 2 tabs.

  18. Competitive sorption of Pb(II), Cu(II) and Ni(II) on carbonaceous nanofibers: A spectroscopic and modeling approach.

    PubMed

    Ding, Congcong; Cheng, Wencai; Wang, Xiangxue; Wu, Zhen-Yu; Sun, Yubing; Chen, Changlun; Wang, Xiangke; Yu, Shu-Hong

    2016-08-01

    The competitive sorption of Pb(II), Cu(II) and Ni(II) on the uniform carbonaceous nanofibers (CNFs) was investigated in binary/ternary-metal systems. The pH-dependent sorption of Pb(II), Cu(II) and Ni(II) on CNFs was independent of ionic strength, indicating that inner-sphere surface complexation dominated sorption Pb(II), Cu(II) and Ni(II) on CNFs. The maximum sorption capacities of Pb(II), Cu(II) and Ni(II) on CNFs in single-metal systems at a pH 5.5±0.2 and 25±1°C were 3.84 (795.65mg/g), 3.21 (204.00mg/g) and 2.67 (156.70mg/g)mmol/g, respectively. In equimolar binary/ternary-metal systems, Pb(II) exhibited greater inhibition of the sorption of Cu(II) and Ni(II), demonstrating the stronger affinity of CNFs for Pb(II). The competitive sorption of heavy metals in ternary-metal systems was predicted quite well by surface complexation modeling derived from single-metal data. According to FTIR, XPS and EXAFS analyses, Pb(II), Cu(II) and Ni(II) were specifically adsorbed on CNFs via covalent bonding. These observations should provide an essential start in simultaneous removal of multiple heavy metals from aquatic environments by CNFs, and open the doorways for the application of CNFs. PMID:27108273

  19. Bow shock models of ultracompact H II regions

    NASA Technical Reports Server (NTRS)

    Mac Low, Mordecai-Mark; Van Buren, Dave; Wood, Douglas O. S.; Churchwell, ED

    1991-01-01

    This paper presents models of ultracompact H II regions as the bow shocks formed by massive stars, with strong stellar winds, moving supersonically through molecular clouds. The morphologies, sizes and brightnesses of observed objects match the models well. Plausible models are provided for the ultracompact H II regions G12.21 - 0.1, G29.96 - 0.02, G34.26 + 0.15, and G43.89 - 0.78. To do this, the equilibrium shape of the wind-blown shell is calculated, assuming momentum conservation. Then the shell is illuminated with ionizing radiation from the central star, radiative transfer for free-free emission through the shell is performed, and the resulting object is visualized at various angles for comparison with radio continuum maps. The model unifies most of the observed morphologies of ultracompact H II regions, excluding only those objects with spherical shells. Ram pressure confinement greatly lengthens the life of ultracompact H II regions, explaining the large number that exist in the Galaxy despite their low apparent kinematic ages.

  20. End-to-end modelling of He II flow systems

    NASA Technical Reports Server (NTRS)

    Mord, A. J.; Snyder, H. A.; Newell, D. A.

    1992-01-01

    A practical computer code has been developed which uses the accepted two-fluid model to simulate He II flow in complicated systems. The full set of equations are used, retaining the coupling between the pressure, temperature and velocity fields. This permits modeling He II flow over the full range of conditions, from strongly or weakly driven flow through large pipes, narrow channels and porous media. The system may include most of the components used in modern superfluid flow systems: non-ideal thermomechanical pumps, tapered sections, constrictions, lines with heated side walls and heat exchangers. The model is validated by comparison with published experimental data. It is applied to a complex system to show some of the non-intuitive feedback effects that can occur. This code is ready to be used as a design tool for practical applications of He II. It can also be used for the design of He II experiments and as a tool for comparison of experimental data with the standard two-fluid model.

  1. Computing Models of CDF and D0 in Run II

    SciTech Connect

    Lammel, S.

    1997-05-01

    The next collider run of the Fermilab Tevatron, Run II, is scheduled for autumn of 1999. Both experiments, the Collider Detector at Fermilab (CDF) and the D0 experiment are being modified to cope with the higher luminosity and shorter bunch spacing of the Tevatron. New detector components, higher event complexity, and an increased data volume require changes from the data acquisition systems up to the analysis systems. In this paper we present a summary of the computing models of the two experiments for Run II.

  2. Predictive data modeling of human type II diabetes related statistics

    NASA Astrophysics Data System (ADS)

    Jaenisch, Kristina L.; Jaenisch, Holger M.; Handley, James W.; Albritton, Nathaniel G.

    2009-04-01

    During the course of routine Type II treatment of one of the authors, it was decided to derive predictive analytical Data Models of the daily sampled vital statistics: namely weight, blood pressure, and blood sugar, to determine if the covariance among the observed variables could yield a descriptive equation based model, or better still, a predictive analytical model that could forecast the expected future trend of the variables and possibly eliminate the number of finger stickings required to montior blood sugar levels. The personal history and analysis with resulting models are presented.

  3. SDSS-II: Determination of shape and color parameter coefficients for SALT-II fit model

    SciTech Connect

    Dojcsak, L.; Marriner, J.; /Fermilab

    2010-08-01

    In this study we look at the SALT-II model of Type IA supernova analysis, which determines the distance moduli based on the known absolute standard candle magnitude of the Type IA supernovae. We take a look at the determination of the shape and color parameter coefficients, {alpha} and {beta} respectively, in the SALT-II model with the intrinsic error that is determined from the data. Using the SNANA software package provided for the analysis of Type IA supernovae, we use a standard Monte Carlo simulation to generate data with known parameters to use as a tool for analyzing the trends in the model based on certain assumptions about the intrinsic error. In order to find the best standard candle model, we try to minimize the residuals on the Hubble diagram by calculating the correct shape and color parameter coefficients. We can estimate the magnitude of the intrinsic errors required to obtain results with {chi}{sup 2}/degree of freedom = 1. We can use the simulation to estimate the amount of color smearing as indicated by the data for our model. We find that the color smearing model works as a general estimate of the color smearing, and that we are able to use the RMS distribution in the variables as one method of estimating the correct intrinsic errors needed by the data to obtain the correct results for {alpha} and {beta}. We then apply the resultant intrinsic error matrix to the real data and show our results.

  4. Modelling Ar II spectral emission from the ASTRAL helicon plasma

    NASA Astrophysics Data System (ADS)

    Munoz Burgos, Jorge; Boivin, Robert; Loch, Stuart; Kamar, Ola; Ballance, Connor; Pindzola, Mitch

    2008-11-01

    We describe our spectral modeling of ArII emission from the ASTRAL helicon plasma at Auburn University. Collisional-radiative theory is used to model the emitted spectrum, with account being taken for the density and temperature variation along the line of sight. This study has two main aims. Firstly to test the atomic data used in the model and secondly to identify spectral line ratios in the 200 nm - 1000 nm range that could be used as temperature diagnostics. Using the temperature at which Ar II emission starts to be seen we have been able to test recent ionization and recombination data. Using selected spectral lines we were then able to test the importance of the continuum-coupling effects included in the most recent Ar+ electron impact excitation data. Selected spectral line ratios have been identified that show a strong temperature variation and have potential as a temperature diagnostic.

  5. Comprehensive Modeling of the Apache With CAMRAD II

    NASA Technical Reports Server (NTRS)

    Jones, Henry E.; Kunz, Donald L.

    2001-01-01

    This paper presents a report of a multi year study of the U.S. Army LONGBOW APACHE (AH-64D) aircraft. The goals of this study were to provide the Apache Project Managers Office (PMO) with a broad spectrum of calibrated comprehensive and CFD models of the AH-64D aircraft. The goal of this paper is to present an overview of the comprehensive model which has been developed. The CAMRAD II computer code was chosen to complete this task. The paper first discusses issues that must be addressed when modeling the Apache using CAMRAD. The work required the acquisition of a data base for the aircraft and the development and application of a multidisciplinary computer model. Sample results from various parts of the model are presented. Conclusions with regard to the strengths and weaknesses of simulations based on this model are discussed.

  6. Comprehensive Modeling of the Apache with CAMRAD II

    NASA Technical Reports Server (NTRS)

    Jones, Henry E.; Kunz, Donald L.

    2001-01-01

    This paper presents a report of a multi year study of the U.S. Army LONGBOW APACHE (AH-64D) aircraft. The goals of this study were to provide the Apache Project Managers Office (PMO) with a broad spectrum of calibrated comprehensive and CFD models of the AH-64D aircraft. The goal of this paper is to present an overview of the comprehensive model which has been developed. The CAMRAD II computer code was chosen to complete this task. The paper first discusses issues that must be addressed when modeling the Apache using CAMRAD. The work required the acquisition of a data base for the aircraft and the development and application of a multidisciplinary computer model. Sample results from various parts of the model are presented. Conclusions with regard to the strengths and weaknesses of simulations based on this model are discussed.

  7. An integrated model of the TOPAZ-II electromagnetic pump

    SciTech Connect

    El-Genk, M.S.; Paramonov, D.V. . Inst. of Space Nuclear Power Studies)

    1994-11-01

    A detailed model of the electromagnetic pump of the TOPAZ-II space nuclear reactor power system is developed and compared with experimental data. The magnetic field strength in the pump depends not only on the current supplied by the pump thermionic fuel elements in the reactor core but also on the temperature of the coolant, the magnetic coil, and the pump structure. All electric and thermal properties of the coolant, wall material of the pump ducts, and electric leads are taken to be temperature dependent. The model predictions are in good agreement with experimental data.

  8. Photon number conserving models of H II bubbles during reionization

    NASA Astrophysics Data System (ADS)

    Paranjape, Aseem; Choudhury, T. Roy; Padmanabhan, Hamsa

    2016-08-01

    Traditional excursion-set-based models of H II bubble growth during the epoch of reionization are known to violate photon number conservation, in the sense that the mass fraction in ionized bubbles in these models does not equal the ratio of the number of ionizing photons produced by sources and the number of hydrogen atoms in the intergalactic medium. E.g. for a Planck13 cosmology with electron scattering optical depth τ ≃ 0.066, the discrepancy is ˜15 per cent for x_{H II}=0.1 and ˜5 per cent for x_{H II}=0.5. We demonstrate that this problem arises from a fundamental conceptual shortcoming of the excursion-set approach (already recognized in the literature on this formalism) which only tracks average mass fractions instead of the exact, stochastic source counts. With this insight, we build an approximately photon number conserving Monte Carlo model of bubble growth based on partitioning regions of dark matter into haloes. Our model, which is formally valid for white noise initial conditions (ICs), shows dramatic improvements in photon number conservation, as well as substantial differences in the bubble size distribution, as compared to traditional models. We explore the trends obtained on applying our algorithm to more realistic ICs, finding that these improvements are robust to changes in the ICs. Since currently popular seminumerical schemes of bubble growth also violate photon number conservation, we argue that it will be worthwhile to pursue new, explicitly photon number conserving approaches. Along the way, we clarify some misconceptions regarding this problem that have appeared in the literature.

  9. A MODEL STUDY OF TRANSVERSE MODE COUPLING INSTABILITY AT NATIONAL SYNCHROTRON LIGHT SOURCE-II (NSLS-II).

    SciTech Connect

    BLEDNYKH, A.; WANG, J.M.

    2005-05-15

    The vertical impedances of the preliminary designs of National Synchrotron Light Source II (NSLS-II) Mini Gap Undulators (MGU) are calculated by means of GdfidL code. The Transverse Mode Coupling Instability (TMCI) thresholds corresponding to these impedances are estimated using an analytically solvable model.

  10. Bound on Z{sup '} mass from CDMS II in the dark left-right gauge model II

    SciTech Connect

    Khalil, Shaaban; Lee, Hye-Sung; Ma, Ernest

    2010-03-01

    With the recent possible signal of dark matter from the CDMS II experiment, the Z{sup '} mass of a new version of the dark left-right gauge model (DLRM II) is predicted to be at around a TeV. As such, it has an excellent discovery prognosis at the operating Large Hadron Collider.

  11. Radiation model for row crops: II. Model evaluation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Relatively few radiation transfer studies have considered the impact of varying vegetation cover that typifies row crops, and meth¬ods to account for partial row crop cover have not been well investigated. Our objective was to evaluate a widely used radiation model that was modified for row crops ha...

  12. Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

    NASA Astrophysics Data System (ADS)

    Oboh, I.; Aluyor, E.; Audu, T.

    2015-03-01

    The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R2), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.

  13. Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

    SciTech Connect

    Oboh, I.; Aluyor, E.; Audu, T.

    2015-03-30

    The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R{sup 2}), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.

  14. Modeling the World Health Organization Disability Assessment Schedule II using non-parametric item response models.

    PubMed

    Galindo-Garre, Francisca; Hidalgo, María Dolores; Guilera, Georgina; Pino, Oscar; Rojo, J Emilio; Gómez-Benito, Juana

    2015-03-01

    The World Health Organization Disability Assessment Schedule II (WHO-DAS II) is a multidimensional instrument developed for measuring disability. It comprises six domains (getting around, self-care, getting along with others, life activities and participation in society). The main purpose of this paper is the evaluation of the psychometric properties for each domain of the WHO-DAS II with parametric and non-parametric Item Response Theory (IRT) models. A secondary objective is to assess whether the WHO-DAS II items within each domain form a hierarchy of invariantly ordered severity indicators of disability. A sample of 352 patients with a schizophrenia spectrum disorder is used in this study. The 36 items WHO-DAS II was administered during the consultation. Partial Credit and Mokken scale models are used to study the psychometric properties of the questionnaire. The psychometric properties of the WHO-DAS II scale are satisfactory for all the domains. However, we identify a few items that do not discriminate satisfactorily between different levels of disability and cannot be invariantly ordered in the scale. In conclusion the WHO-DAS II can be used to assess overall disability in patients with schizophrenia, but some domains are too general to assess functionality in these patients because they contain items that are not applicable to this pathology. PMID:25524862

  15. Economic Development Impacts of Wind Power: A Comparative Analysis of Impacts within the Western Governors' Association States; Preprint

    SciTech Connect

    Tegen, S.; Milligan, M.; Goldberg, M.

    2007-06-01

    This paper uses NREL's newest Jobs and Economic Development Impacts (JEDI II) model to assess economic impacts from alternative power technologies, with a focus on wind energy, for a variety of states.

  16. Variables Affecting Economic Development of Wind Energy

    SciTech Connect

    Lantz, E.; Tegen, S.

    2008-07-01

    NREL's JEDI Wind model performed an analysis of wind-power-related economic development drivers. Economic development benefits for wind and coal were estimated using NREL's JEDI Wind and JEDI Coal models.

  17. Homology modeling, binding site identification and docking study of human angiotensin II type I (Ang II-AT1) receptor.

    PubMed

    Vyas, Vivek K; Ghate, Manjunath; Patel, Kinjal; Qureshi, Gulamnizami; Shah, Surmil

    2015-08-01

    Ang II-AT1 receptors play an important role in mediating virtually all of the physiological actions of Ang II. Several drugs (SARTANs) are available, which can block the AT1 receptor effectively and lower the blood pressure in the patients with hypertension. Currently, there is no experimental Ang II-AT1 structure available; therefore, in this study we modeled Ang II-AT1 receptor structure using homology modeling followed by identification and characterization of binding sites and thereby assessing druggability of the receptor. Homology models were constructed using MODELLER and I-TASSER server, refined and validated using PROCHECK in which 96.9% of 318 residues were present in the favoured regions of the Ramachandran plots. Various Ang II-AT1 receptor antagonist drugs are available in the market as antihypertensive drug, so we have performed docking study with the binding site prediction algorithms to predict different binding pockets on the modeled proteins. The identification of 3D structures and binding sites for various known drugs will guide us for the structure-based drug design of novel compounds as Ang II-AT1 receptor antagonists for the treatment of hypertension. PMID:26349961

  18. Eagle II: A prototype for multi-resolution combat modeling

    SciTech Connect

    Powell, D.R.; Hutchinson, J.L.

    1993-01-01

    Eagle 11 is a prototype analytic model derived from the integration of the low resolution Eagle model with the high resolution SIMNET model. This integration promises a new capability to allow for a more effective examination of proposed or existing combat systems that could not be easily evaluated using either Eagle or SIMNET alone. In essence, Eagle II becomes a multi-resolution combat model in which simulated combat units can exhibit both high and low fidelity behavior at different times during model execution. This capability allows a unit to behave in a highly manner only when required, thereby reducing the overall computational and manpower requirements for a given study. In this framework, the SIMNET portion enables a highly credible assessment of the performance of individual combat systems under consideration, encompassing both engineering performance and crew capabilities. However, when the assessment being conducted goes beyond system performance and extends to questions of force structure balance and sustainment, then SISMNET results can be used to calibrate'' the Eagle attrition process appropriate to the study at hand. Advancing technologies, changes in the world-wide threat, requirements for flexible response, declining defense budgets, and down-sizing of military forces motivate the development of manpower-efficient, low-cost, responsive tools for combat development studies. Eagle and SIMNET both serve as credible and useful tools. The integration of these two models promises enhanced capabilities to examine the broader, deeper, more complex battlefield of the future with higher fidelity, greater responsiveness and low overall cost.

  19. Eagle II: A prototype for multi-resolution combat modeling

    SciTech Connect

    Powell, D.R.; Hutchinson, J.L.

    1993-02-01

    Eagle 11 is a prototype analytic model derived from the integration of the low resolution Eagle model with the high resolution SIMNET model. This integration promises a new capability to allow for a more effective examination of proposed or existing combat systems that could not be easily evaluated using either Eagle or SIMNET alone. In essence, Eagle II becomes a multi-resolution combat model in which simulated combat units can exhibit both high and low fidelity behavior at different times during model execution. This capability allows a unit to behave in a highly manner only when required, thereby reducing the overall computational and manpower requirements for a given study. In this framework, the SIMNET portion enables a highly credible assessment of the performance of individual combat systems under consideration, encompassing both engineering performance and crew capabilities. However, when the assessment being conducted goes beyond system performance and extends to questions of force structure balance and sustainment, then SISMNET results can be used to ``calibrate`` the Eagle attrition process appropriate to the study at hand. Advancing technologies, changes in the world-wide threat, requirements for flexible response, declining defense budgets, and down-sizing of military forces motivate the development of manpower-efficient, low-cost, responsive tools for combat development studies. Eagle and SIMNET both serve as credible and useful tools. The integration of these two models promises enhanced capabilities to examine the broader, deeper, more complex battlefield of the future with higher fidelity, greater responsiveness and low overall cost.

  20. Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.

    PubMed

    Kerber, William D; Goheen, Joshua T; Perez, Kaitlyn A; Siegler, Maxime A

    2016-01-19

    Heterobimetallic Mn/Fe cofactors are found in the R2 subunit of class Ic ribonucleotide reductases (R2c) and R2-like ligand binding oxidases (R2lox). Selective cofactor assembly is due at least in part to the thermodynamics of M(II) binding to the apoprotein. We report here equilibrium studies of Fe(II)/Mn(II) discrimination in the biomimetic model system H5(F-HXTA) (5-fluoro-2-hydroxy-1,3-xylene-α,α'-diamine-N,N,N',N'-tetraacetic acid). The homobimetallic F-HXTA complexes [Fe(H2O)6][1]2·14H2O and [Mn(H2O)6][2]2·14H2O (1 = [Fe(II)2(F-HXTA)(H2O)4](-); 2 = [Mn(II)2(F-HXTA)(H2O)4](-)) were characterized by single crystal X-ray diffraction. NMR data show that 1 retains its structure in solution (2 is NMR silent). Metal exchange is facile, and the heterobimetallic complex [Fe(II)Mn(II)(F-HXTA)(H2O)4](-) (3) is formed from mixtures of 1 and 2. (19)F NMR was used to quantify 1 and 3 in the presence of excess M(II)(aq) at various metal ratios, and equilibrium constants for Fe(II)/Mn(II) discrimination were calculated from these data. Fe(II) is preferred over Mn(II) with K1 = 182 ± 13 for complete replacement (2 ⇌ 1). This relatively modest preference is attributed to a hard-soft acid-base mismatch between the divalent cations and the polycarboxylate ligand. The stepwise constants for replacement are K2 = 20.1 ± 1.3 (2 ⇌ 3) and K3 = 9.1 ± 1.1 (3 ⇌ 1). K2 > K3 demonstrates enhanced stability of the heterobimetallic state beyond what is expected for simple Mn(II) → Fe(II) replacement. The relevance to Fe(II)/Mn(II) discrimination in R2c and R2lox proteins is discussed. PMID:26709740

  1. The subthalamic nucleus part II: modelling and simulation of activity.

    PubMed

    Heida, Tjitske; Marani, Enrico; Usunoff, Kamen G

    2008-01-01

    Part I of The Subthalamic Nucleus (volume 198) (STN) accentuates the gap between experimental animal and human information concerning subthalamic development, cytology, topography and connections.The light and electron microscopical cytology focuses on the open nucleus concept and the neuronal types present in the STN. The cytochemistry encompasses enzymes, NO, glial fibrillary acidic protein (GFAP), calcium binding proteins, and receptors (dopamine, cannabinoid, opioid, glutamate, gamma-aminobutyric acid (GABA), serotonin, cholinergic, and calcium channels). The ontogeny of the subthalamic cell cord is also reviewed. The topography concerns the rat, cat, baboon and human STN. The descriptions of the connections are also given from a historical point of view. Recent tracer studies on the rat nigro-subthalamic connection revealed contralateral projections. This monograph (Part II of the two volumes) on the subthalamic nucleus (STN) starts with a systemic model of the basal ganglia to evaluate the position of the STN in the direct, indirect and hyperdirect pathways. A summary of in vitro studies is given, describing STN spontaneous activity as well as responses to depolarizing and hyperpolarizing inputs and high-frequency stimulation. STN bursting activity and the underlying ionic mechanisms are investigated. Deep brain stimulation used for symptomatic treatment of Parkinson's disease is discussed in terms of the elements that are influenced and its hypothesized mechanisms. This part of the monograph explores the pedunculopontine-subthalamic connections and summarizes attempts to mimic neurotransmitter actions of the pedunculopontine nucleus in cell cultures and high-frequency stimulation on cultured dissociated rat subthalamic neurons. STN cell models - single- and multi-compartment models and system-level models are discussed in relation to subthalamic function and dysfunction. Parts I and II are compared. PMID:18727495

  2. LHC phenomenology of SO(10) models with Yukawa unification. II.

    NASA Astrophysics Data System (ADS)

    Anandakrishnan, Archana; Bryant, B. Charles; Raby, Stuart

    2014-07-01

    In this paper we study Yukawa-unified SO(10) supersymmetric (SUSY) grand unified theories (GUTs) with two types of SO(10) boundary conditions: (i) universal gaugino masses and (ii) nonuniversal gaugino masses with effective "mirage" mediation. With these boundary conditions, we perform a global χ2 analysis to obtain the parameters consistent with 11 low energy observables, including the top, bottom, and tau masses. Both boundary conditions have universal scalar masses and "just so" splitting for the up- and down-type Higgs masses. In these models, the third family scalars are lighter than the first two families and the gauginos are lighter than all the scalars. We therefore focus on the gluino phenomenology in these models. In particular, we estimate the lowest allowed gluino mass in our models coming from the most recent LHC data and compare this to limits obtained using simplified models. We find that the lower bound on Mg ˜ in Yukawa-unified SO(10) SUSY GUTs is generically ˜1.2 TEV at the 1σ level unless there is considerable degeneracy between the gluino and the lightest supersymmetric particle, in which case the bounds are much weaker. Hence many of our benchmark points are not ruled out by the present LHC data and are still viable models which can be tested at LHC 14.

  3. Evaluating the performance of copula models in phase I-II clinical trials under model misspecification

    PubMed Central

    2014-01-01

    Background Traditionally, phase I oncology trials are designed to determine the maximum tolerated dose (MTD), defined as the highest dose with an acceptable probability of dose limiting toxicities(DLT), of a new treatment via a dose escalation study. An alternate approach is to jointly model toxicity and efficacy and allow dose escalation to depend on a pre-specified efficacy/toxicity tradeoff in a phase I-II design. Several phase I-II trial designs have been discussed in the literature; while these model-based designs are attractive in their performance, they are potentially vulnerable to model misspecification. Methods Phase I-II designs often rely on copula models to specify the joint distribution of toxicity and efficacy, which include an additional correlation parameter that can be difficult to estimate. We compare and contrast three models for the joint probability of toxicity and efficacy, including two copula models that have been proposed for use in phase I-II clinical trials and a simple model that assumes the two outcomes are independent. We evaluate the performance of the various models through simulation both when the models are correct and under model misspecification. Results Both models exhibited similar performance, as measured by the probability of correctly identifying the optimal dose and the number of subjects treated at the optimal dose, regardless of whether the data were generated from the correct or incorrect copula, even when there is substantial correlation between the two outcomes. Similar results were observed for a simple model that assumes independence, even in the presence of strong correlation. Further simulation results indicate that estimating the correlation parameter in copula models is difficult with the sample sizes used in Phase I-II clinical trials. Conclusions Our simulation results indicate that the operating characteristics of phase I-II clinical trials are robust to misspecification of the copula model but that a simple

  4. USER'S GUIDE TO THE MESOPUFF II MODEL AND RELATED PROCESSOR PROGRAMS

    EPA Science Inventory

    A complete set of user instructions are provided for the MESOPUFF II regional-scale air quality modeling package. The MESOPUFF II model is a Lagrangian variable-trajectory puff superposition model suitable for modeling the transport, diffusion, and removal of air pollutants from ...

  5. Type II Supernovae: Model Light Curves and Standard Candle Relationships

    NASA Astrophysics Data System (ADS)

    Kasen, Daniel; Woosley, S. E.

    2009-10-01

    A survey of Type II supernovae explosion models has been carried out to determine how their light curves and spectra vary with their mass, metallicity, and explosion energy. The presupernova models are taken from a recent survey of massive stellar evolution at solar metallicity supplemented by new calculations at subsolar metallicity. Explosions are simulated by the motion of a piston near the edge of the iron core and the resulting light curves and spectra are calculated using full multi-wavelength radiation transport. Formulae are developed that describe approximately how the model observables (light curve luminosity and duration) scale with the progenitor mass, explosion energy, and radioactive nucleosynthesis. Comparison with observational data shows that the explosion energy of typical supernovae (as measured by kinetic energy at infinity) varies by nearly an order of magnitude—from 0.5 to 4.0 × 1051 ergs, with a typical value of ~0.9 × 1051 ergs. Despite the large variation, the models exhibit a tight relationship between luminosity and expansion velocity, similar to that previously employed empirically to make SNe IIP standardized candles. This relation is explained by the simple behavior of hydrogen recombination in the supernova envelope, but we find a sensitivity to progenitor metallicity and mass that could lead to systematic errors. Additional correlations between light curve luminosity, duration, and color might enable the use of SNe IIP to obtain distances accurate to ~20% using only photometric data.

  6. TYPE II SUPERNOVAE: MODEL LIGHT CURVES AND STANDARD CANDLE RELATIONSHIPS

    SciTech Connect

    Kasen, Daniel; Woosley, S. E.

    2009-10-01

    A survey of Type II supernovae explosion models has been carried out to determine how their light curves and spectra vary with their mass, metallicity, and explosion energy. The presupernova models are taken from a recent survey of massive stellar evolution at solar metallicity supplemented by new calculations at subsolar metallicity. Explosions are simulated by the motion of a piston near the edge of the iron core and the resulting light curves and spectra are calculated using full multi-wavelength radiation transport. Formulae are developed that describe approximately how the model observables (light curve luminosity and duration) scale with the progenitor mass, explosion energy, and radioactive nucleosynthesis. Comparison with observational data shows that the explosion energy of typical supernovae (as measured by kinetic energy at infinity) varies by nearly an order of magnitude-from 0.5 to 4.0 x 10{sup 51} ergs, with a typical value of approx0.9 x 10{sup 51} ergs. Despite the large variation, the models exhibit a tight relationship between luminosity and expansion velocity, similar to that previously employed empirically to make SNe IIP standardized candles. This relation is explained by the simple behavior of hydrogen recombination in the supernova envelope, but we find a sensitivity to progenitor metallicity and mass that could lead to systematic errors. Additional correlations between light curve luminosity, duration, and color might enable the use of SNe IIP to obtain distances accurate to approx20% using only photometric data.

  7. Comparison with CLPX II airborne data using DMRT model

    USGS Publications Warehouse

    Xu, X.; Liang, D.; Andreadis, K.M.; Tsang, L.; Josberger, E.G.

    2009-01-01

    In this paper, we considered a physical-based model which use numerical solution of Maxwell Equations in three-dimensional simulations and apply into Dense Media Radiative Theory (DMRT). The model is validated in two specific dataset from the second Cold Land Processes Experiment (CLPX II) at Alaska and Colorado. The data were all obtain by the Ku-band (13.95GHz) observations using airborne imaging polarimetric scatterometer (POLSCAT). Snow is a densely packed media. To take into account the collective scattering and incoherent scattering, analytical Quasi-Crystalline Approximation (QCA) and Numerical Maxwell Equation Method of 3-D simulation (NMM3D) are used to calculate the extinction coefficient and phase matrix. DMRT equations were solved by iterative solution up to 2nd order for the case of small optical thickness and full multiple scattering solution by decomposing the diffuse intensities into Fourier series was used when optical thickness exceed unity. It was shown that the model predictions agree with the field experiment not only co-polarization but also cross-polarization. For Alaska region, the input snow structure data was obtain by the in situ ground observations, while for Colorado region, we combined the VIC model to get the snow profile. ??2009 IEEE.

  8. Research on mouse model of grade II corneal alkali burn

    PubMed Central

    Bai, Jun-Qiang; Qin, Hai-Feng; Zhao, Shi-Hong

    2016-01-01

    AIM To choose appropriate concentration of sodium hydroxide (NaOH) solution to establish a stable and consistent corneal alkali burn mouse model in grade II. METHODS The mice (n=60) were randomly divided into four groups and 15 mice each group. Corneal alkali burns were induced by placing circle filter paper soaked with NaOH solutions on the right central cornea for 30s. The concentrations of NaOH solutions of groups A, B, C, and D were 0.1 mol/L, 0.15 mol/L, 0.2 mol/L, and 1.0 mol/L respectively. Then these corneas were irrigated with 20 mL physiological saline (0.9% NaCl). On day 7 postburn, slit lamp microscope was used to observe corneal opacity, corneal epithelial sodium fluorescein staining positive rate, incidence of corneal ulcer and corneal neovascularization, meanwhile pictures of the anterior eyes were taken. Cirrus spectral domain optical coherence tomography was used to scan cornea to observe corneal epithelial defect and corneal ulcer. RESULTS Corneal opacity scores (x±s) were not significantly different between the group A and group B (P=0.097). Incidence of corneal ulcer in group B was significantly higher than that in group A (P=0.035). Incidence of corneal ulcer and perforation rate in group B was lower than that in group C. Group C and D had corneal neovascularization, and incidence of corneal neovascularization in group D was significantly higher than that in group C (P=0.000). CONCLUSION Using 0.15 mol/L NaOH can establish grade II mouse model of corneal alkali burns. PMID:27162717

  9. Branch Flow Model: Relaxations and Convexification-Part II

    SciTech Connect

    Farivar, M; Low, SH

    2013-08-01

    We propose a branch flow model for the analysis and optimization of mesh as well as radial networks. The model leads to a new approach to solving optimal power flow (OPF) that consists of two relaxation steps. The first step eliminates the voltage and current angles and the second step approximates the resulting problem by a conic program that can be solved efficiently. For radial networks, we prove that both relaxation steps are always exact, provided there are no upper bounds on loads. For mesh networks, the conic relaxation is always exact but the angle relaxation may not be exact, and we provide a simple way to determine if a relaxed solution is globally optimal. We propose convexification of mesh networks using phase shifters so that OPF for the convexified network can always be solved efficiently for an optimal solution. We prove that convexification requires phase shifters only outside a spanning tree of the network and their placement depends only on network topology, not on power flows, generation, loads, or operating constraints. Part I introduces our branch flow model, explains the two relaxation steps, and proves the conditions for exact relaxation. Part II describes convexification of mesh networks, and presents simulation results.

  10. Model selection as a science driver for dark energy surveys

    NASA Astrophysics Data System (ADS)

    Mukherjee, Pia; Parkinson, David; Corasaniti, Pier Stefano; Liddle, Andrew R.; Kunz, Martin

    2006-07-01

    A key science goal of upcoming dark energy surveys is to seek time-evolution of the dark energy. This problem is one of model selection, where the aim is to differentiate between cosmological models with different numbers of parameters. However, the power of these surveys is traditionally assessed by estimating their ability to constrain parameters, which is a different statistical problem. In this paper, we use Bayesian model selection techniques, specifically forecasting of the Bayes factors, to compare the abilities of different proposed surveys in discovering dark energy evolution. We consider six experiments - supernova luminosity measurements by the Supernova Legacy Survey, SNAP, JEDI and ALPACA, and baryon acoustic oscillation measurements by WFMOS and JEDI - and use Bayes factor plots to compare their statistical constraining power. The concept of Bayes factor forecasting has much broader applicability than dark energy surveys.

  11. Higgs potential in the type II seesaw model

    SciTech Connect

    Arhrib, A.; Benbrik, R.; Chabab, M.; Rahili, L.; Ramadan, J.; Moultaka, G.; Peyranere, M. C.

    2011-11-01

    The standard model Higgs sector, extended by one weak gauge triplet of scalar fields with a very small vacuum expectation value, is a very promising setting to account for neutrino masses through the so-called type II seesaw mechanism. In this paper we consider the general renormalizable doublet/triplet Higgs potential of this model. We perform a detailed study of its main dynamical features that depend on five dimensionless couplings and two mass parameters after spontaneous symmetry breaking, and highlight the implications for the Higgs phenomenology. In particular, we determine (i) the complete set of tree-level unitarity constraints on the couplings of the potential and (ii) the exact tree-level boundedness from below constraints on these couplings, valid for all directions. When combined, these constraints delineate precisely the theoretically allowed parameter space domain within our perturbative approximation. Among the seven physical Higgs states of this model, the mass of the lighter (heavier) CP{sub even} state h{sup 0} (H{sup 0}) will always satisfy a theoretical upper (lower) bound that is reached for a critical value {mu}{sub c} of {mu} (the mass parameter controlling triple couplings among the doublet/triplet Higgses). Saturating the unitarity bounds, we find an upper bound m{sub h}{sup 0} or approx. {mu}{sub c} and {mu} < or approx. {mu}{sub c}. In the first regime the Higgs sector is typically very heavy, and only h{sup 0} that becomes SM-like could be accessible to the LHC. In contrast, in the second regime, somewhat overlooked in the literature, most of the Higgs sector is light. In particular, the heaviest state H{sup 0} becomes SM-like, the lighter states being the CP{sub odd} Higgs, the (doubly) charged Higgses, and a decoupled h{sup 0}, possibly

  12. Higgs potential in the type II seesaw model

    NASA Astrophysics Data System (ADS)

    Arhrib, A.; Benbrik, R.; Chabab, M.; Moultaka, G.; Peyranère, M. C.; Rahili, L.; Ramadan, J.

    2011-11-01

    The standard model Higgs sector, extended by one weak gauge triplet of scalar fields with a very small vacuum expectation value, is a very promising setting to account for neutrino masses through the so-called type II seesaw mechanism. In this paper we consider the general renormalizable doublet/triplet Higgs potential of this model. We perform a detailed study of its main dynamical features that depend on five dimensionless couplings and two mass parameters after spontaneous symmetry breaking, and highlight the implications for the Higgs phenomenology. In particular, we determine (i) the complete set of tree-level unitarity constraints on the couplings of the potential and (ii) the exact tree-level boundedness from below constraints on these couplings, valid for all directions. When combined, these constraints delineate precisely the theoretically allowed parameter space domain within our perturbative approximation. Among the seven physical Higgs states of this model, the mass of the lighter (heavier) CPeven state h0 (H0) will always satisfy a theoretical upper (lower) bound that is reached for a critical value μc of μ (the mass parameter controlling triple couplings among the doublet/triplet Higgses). Saturating the unitarity bounds, we find an upper bound mh0

  13. Multiscale model of light harvesting by photosystem II in plants

    PubMed Central

    Amarnath, Kapil; Bennett, Doran I. G.; Schneider, Anna R.; Fleming, Graham R.

    2016-01-01

    The first step of photosynthesis in plants is the absorption of sunlight by pigments in the antenna complexes of photosystem II (PSII), followed by transfer of the nascent excitation energy to the reaction centers, where long-term storage as chemical energy is initiated. Quantum mechanical mechanisms must be invoked to explain the transport of excitation within individual antenna. However, it is unclear how these mechanisms influence transfer across assemblies of antenna and thus the photochemical yield at reaction centers in the functional thylakoid membrane. Here, we model light harvesting at the several-hundred-nanometer scale of the PSII membrane, while preserving the dominant quantum effects previously observed in individual complexes. We show that excitation moves diffusively through the antenna with a diffusion length of 50 nm until it reaches a reaction center, where charge separation serves as an energetic trap. The diffusion length is a single parameter that incorporates the enhancing effect of excited state delocalization on individual rates of energy transfer as well as the complex kinetics that arise due to energy transfer and loss by decay to the ground state. The diffusion length determines PSII’s high quantum efficiency in ideal conditions, as well as how it is altered by the membrane morphology and the closure of reaction centers. We anticipate that the model will be useful in resolving the nonphotochemical quenching mechanisms that PSII employs in conditions of high light stress. PMID:26787911

  14. Modeling of fluidized-bed combustion of coal: Phase II, final reports. Volume II. Detailed description of the model

    SciTech Connect

    Louis, J.F.; Tung, S.E.

    1980-10-01

    This document is the second of a seven volume series of our Phase II Final Report. This volume deals with detailed descriptions of the structure of each program member (subroutines and functions), the interrelation between the members of a submodel, and the interrelation between the various submodels as such. The systems model for fluidized bed combustors (FBC-II) consists of a systematic combination of the following interrelated areas: fluid mechanics and bubble growth, char combustion and associated kinetics for particle burnout, sulfur capture, NO/sub x/ formation and reduction, freeboard reactions, and heat transfer. Program outline is shown in Figure 1.1. Input variables (supplied by the user are inspected to check that they lie inside the allowed range of values and are input to the various routines as needed. The necessary physical and fluid mechanical properties are calculated and utilized in estimating char combustion and sulfur capture in the bed and the freeboard. NO/sub x/ and CO emissions are estimated by taking into account all relevant chemical reactions. A material and energy balance is made over the bed. Figure 1.1 shows a block diagram of the systems program. In this diagram, the overall structure of the FBC program is illustrated in terms of the various submodels that together constitute the systems program. A more detailed outline of the systems program is shown in Figure 1.2. In this figure, all important subroutine members of the FBC program are shown, and their linkage to each other, as well as to the main program is indicated. A description of the exact sequence in which these various routines are called at time of program execution is provided in Chapter 8 under the executive routine MAIN.

  15. Learning Objects, Type II Applications, and Embedded Pedagogical Models

    ERIC Educational Resources Information Center

    Gadanidis, George; Schindler, Karen

    2006-01-01

    In this paper we consider the extent to which learning objects that focus on higher level thinking might be seen as Type II applications, as defined by Maddux, Johnson, and Willis (2001). We conclude that learning objects are at best hybrid applications, with some Type I and some Type II characteristics. We also consider whether the educational…

  16. Longitudinal Stability of the Beck Depression Inventory II: A Latent Trait-State-Occasion Model

    ERIC Educational Resources Information Center

    Wu, Pei-Chen

    2016-01-01

    In a six-wave longitudinal study with two cohorts (660 adolescents and 630 young adults), this study investigated the longitudinal stability of the Beck Depression Inventory II (BDI-II) using the Trait-State-Occasion (TSO) model. The results revealed that the full TSO model was the best fitting representation of the depression measured by the…

  17. Modeling adsorption of copper(II), cadmium(II) and lead(II) on purified humic acid

    SciTech Connect

    Liu, A.; Gonzalez, R.D.

    2000-04-18

    In this study, a system consisting of Pb, Cu and Cd as typical heavy metal pollutants, and purified Aldrich humic acid as a representative of natural organic materials were selected as prototypes to model the environmental system. The effect of environmental factors such as pH, salinity, and concentration on the interaction between metals and humic acid were investigated in detail. The experimental results show that pH and ionic strength are the most important variables in controlling metal adsorption on humic acid. The results also show a high complexation capacity of humic acid for the metals, especially Cu and Pb. The strength of binding of the three metals is in the sequence of Pb > Cu > Cd. A theoretical model featured by surface complexation reactions and double layer theory combined with the Poisson-Boltzmann equation was applied to simulate the experimental data. Titration data of humic acid with NaOH and Ba(OH){sub 2} were used as concentrations of strong and weak acid groups on HA and the input data for the model calculations. Intrinsic adsorption constants and capacitance are estimated based on literature values and optimized to obtain the best agreement between the experimental and the model results. The model was also used to predict surface properties such as the speciation of the metals adsorbed on humic acid. Good agreement between theoretical modeling results and experimental data suggests the applicability of the theoretical model to this system. Given these parameters, theoretical calculations obtained using the model proposed in this study can give a detailed picture of the actual environmental conditions. Also, the model calculations will help in the evaluation of the actual toxicity of heavy metal pollutants in the aquasystem.

  18. CORA-II model of PWR corrosion-product transport

    SciTech Connect

    Kang, S.; Sejvar, J.

    1985-09-01

    The revised CORA-II computer code, which predicts corrosion-product transport and radiation field buildup in PWRs, incorporates recent advances in scientific understanding of these processes. Designers and engineers can use the code to assess the relative effects of plant design, operation, and coolant chemistry changes on radiation-field buildup.

  19. Molecular Models of Ruthenium(II) Organometallic Complexes

    ERIC Educational Resources Information Center

    Coleman, William F.

    2007-01-01

    This article presents the featured molecules for the month of March, which appear in the paper by Ozerov, Fafard, and Hoffman, and which are related to the study of the reactions of a number of "piano stool" complexes of ruthenium(II). The synthesis of compound 2a offers students an alternative to the preparation of ferrocene if they are only…

  20. Analysis of the photosystem II by modelling the fluorescence yield transients during 10 seconds after a 10 ns pulse

    NASA Astrophysics Data System (ADS)

    Belyaeva, Natalya E.; Schmitt, Franz-Josef; Paschenko, Vladimir Z.; Riznichenko, Galina Yu.; Rubin, Andrew B.

    2014-10-01

    The dynamics of the photosystem II (PS II) redox states is imitated over nine orders of magnitude in time. Our simulations focus on the information of the chlorophyll a fluorescence induced by a 10 ns laser flash. The PS II model analyzes differences in the PS II reaction between leaves (A. Thaliana, spinach) and thermophilic Chlorella cells.

  1. NSLS-II: Nonlinear Model Calibration for Synchrotrons

    SciTech Connect

    Bengtsson, J.

    2010-10-08

    This tech note is essentially a summary of a lecture we delivered to the Acc. Phys. Journal Club Apr, 2010. However, since the estimated accuracy of these methods has been naive and misleading in the field of particle accelerators, i.e., ignores the impact of noise, we will elaborate on this in some detail. A prerequisite for a calibration of the nonlinear Hamiltonian is that the quadratic part has been understood, i.e., that the linear optics for the real accelerator has been calibrated. For synchrotron light source operations, this problem has been solved by the interactive LOCO technique/tool (Linear Optics from Closed Orbits). Before that, in the context of hadron accelerators, it has been done by signal processing of turn-by-turn BPM data. We have outlined how to make a basic calibration of the nonlinear model for synchrotrons. In particular, we have shown how this was done for LEAR, CERN (antiprotons) in the mid-80s. Specifically, our accuracy for frequency estimation was {approx} 1 x 10{sup -5} for 1024 turns (to calibrate the linear optics) and {approx} 1 x 10{sup -4} for 256 turns for tune footprint and betatron spectrum. For a comparison, the estimated tune footprint for stable beam for NSLS-II is {approx}0.1. Since the transverse damping time is {approx}20 msec, i.e., {approx}4,000 turns. There is no fundamental difference for: antiprotons, protons, and electrons in this case. Because the estimated accuracy for these methods in the field of particle accelerators has been naive, i.e., ignoring the impact of noise, we have also derived explicit formula, from first principles, for a quantitative statement. For e.g. N = 256 and 5% noise we obtain {delta}{nu} {approx} 1 x 10{sup -5}. A comparison with the state-of-the-arts in e.g. telecomm and electrical engineering since the 60s is quite revealing. For example, Kalman filter (1960), crucial for the: Ranger, Mariner, and Apollo (including the Lunar Module) missions during the 60s. Or Claude Shannon et al

  2. Making Science Data Available While Building an Instrument: A Heliolib Uniform Data Model Example

    NASA Astrophysics Data System (ADS)

    Brown, L. E.; Vandegriff, J. D.; Haggerty, D. K.; Hill, M. E.; Mauk, B. H.

    2010-12-01

    The Heliolib uniform data model is a powerful and flexible approach to filling an important need of the virtual observatory community (see "Uniform Access to Heliophysics Time Series Data", SM19), but its usefulness does not stop there. We present an implementation of the Heliolib uniform data model as part of the science data pipeline for the JUNO/JEDI and New Horizons/PEPSSI instruments. JUNO/JEDI, New Horizons/PEPSSI and other upcoming instruments use the multimission telemetry processing framework Conduit to unpack the raw telemetry data into internal data structures which can be written out as science data products. It is useful during integration and testing on the ground or in flight, to be able to load these data structures directly into the final science analysis software. The JEDI science team analysis software, MIDL, uses Heliolib. Thus, since the telemetry data structures can be easily adapted to Heliolib data structures, the "wrapped" telemetry data is then automatically supported as fully described science data types, available for instrument team scientists to analyze even during early stages of instrument integration and testing. This allows the science team to potentially spot and correct errors much more efficiently than waiting until they are analyzing flight data, when discovered errors may require complex and expensive reprogramming of the instrument in flight. Examples from JEDI and PEPSSI team experiences will be described. The "wrapped" telemetry data can also be ingested into any other system that uses the Heliolib model. As an example, we present a simple spreadsheet style viewer for Heliolib "ITable" data.

  3. Alternative Models of Service, Centralized Machine Operations. Phase II Report. Volume II.

    ERIC Educational Resources Information Center

    Technology Management Corp., Alexandria, VA.

    A study was conducted to determine if the centralization of playback machine operations for the national free library program would be feasible, economical, and desirable. An alternative model of playback machine services was constructed and compared with existing network operations considering both cost and service. The alternative model was…

  4. An optimisation model for regional integrated solid waste management II. Model application and sensitivity analyses.

    PubMed

    Najm, M Abou; El-Fadel, M; Ayoub, G; El-Taha, M; Al-Awar, F

    2002-02-01

    Increased environmental concerns and the emphasis on material and energy recovery are gradually changing the orientation of MSW management and planning. In this context, the application of optimisation techniques have been introduced to design the least cost solid waste management systems, considering the variety of management processes (recycling, composting, anaerobic digestion, incineration, and landfilling), and the existence of uncertainties associated with the number of system components and their interrelations. This study presents a model that was developed and applied to serve as a solid waste decision support system for MSW management taking into account both socio-economic and environmental considerations. The model accounts for solid waste generation rates, composition, collection, treatment, disposal as well as potential environmental impacts of various MSW management techniques. The model follows a linear programming formulation with the framework of dynamic optimisation. The model can serve as a tool to evaluate various MSW management alternatives and obtain the optimal combination of technologies for the handling, treatment and disposal of MSW in an economic and environmentally sustainable way. The sensitivity of various waste management policies is also addressed. The work is presented in a series of two papers: (I) model formulation, and (II) model application and sensitivity analysis. PMID:12020095

  5. Modeling the Adsorption of Mercury(II) on (Hydr)oxides II: alpha-FeOOH (Goethite) and Amorphous Silica.

    PubMed

    Bonnissel-Gissinger; Alnot; Lickes; Ehrhardt; Behra

    1999-07-15

    The surface complexation model is used to describe sorption experiments of inorganic mercury(II) in the presence of an amorphous silica, Aerosil 200, or an iron (hydr)oxide, the goethite alpha-FeOOH (Bayferrox 910). In the simulations, one assumes the formation of a monodentate surface complex &tbond;S&bond;OHg(+) and of ternary surface complexes with OH(-) surface groups, &tbond;S&bond;OHgOH and &tbond;S&bond;OHgCl, when chlorides are present in solution. Participation of the complex &tbond;S&bond;OHgCl has been especially evidenced. The mercury(II) surface complexation on oxides can be described by the following equilibria (298.15 K, I = 0): with log 5.8 and 8.0 for amorphous silica and goethite, respectively. Comparisons with other data from the literature have been made to investigate the influence of the nature of the oxide on the mechanism of mercury(II) adsorption. X-ray photoelectron spectroscopy was used to characterize the surface of the (hydr)oxides prior to adsorption and to observe when possible the mercury surface compounds. Copyright 1999 Academic Press. PMID:10419666

  6. A model for the separation of cloud and aerosol in SAGE II occultation data

    NASA Technical Reports Server (NTRS)

    Kent, G. S.; Winker, D. M.; Osborn, M. T.; Skeens, K. M.

    1993-01-01

    The Stratospheric Aerosol and Gas Experiment (SAGE) II satellite experiment measures the extinction due to aerosols and thin cloud, at wavelengths of 0.525 and 1.02 micrometers, down to an altitude of 6 km. The wavelength dependence of the extinction due to aerosols differs from that of the extinction due to cloud and is used as the basis of a model for separating these two components. The model is presented and its validation using airborne lidar data, obtained coincident with SAGE II observations, is described. This comparison shows that smaller SAGE II cloud extinction values correspond to the presence of subvisible cirrus cloud in the lidar record. Examples of aerosol and cloud data products obtained using this model to interpret SAGE II upper tropospheric and lower stratospheric data are also shown.

  7. Available for the Apple II: FIRM: Florida InteRactive Modeler.

    ERIC Educational Resources Information Center

    Levy, C. Michael; And Others

    1983-01-01

    The Apple II microcomputer program described allows instructors with minimal programing experience to construct computer models of psychological phenomena for students to investigate. Use of these models eliminates need to maintain/house/breed animals or purchase sophisticated laboratory equipment. Several content models are also described,…

  8. Pharmacophore modeling studies of type I and type II kinase inhibitors of Tie2.

    PubMed

    Xie, Qing-Qing; Xie, Huan-Zhang; Ren, Ji-Xia; Li, Lin-Li; Yang, Sheng-Yong

    2009-02-01

    In this study, chemical feature based pharmacophore models of type I and type II kinase inhibitors of Tie2 have been developed with the aid of HipHop and HypoRefine modules within Catalyst program package. The best HipHop pharmacophore model Hypo1_I for type I kinase inhibitors contains one hydrogen-bond acceptor, one hydrogen-bond donor, one general hydrophobic, one hydrophobic aromatic, and one ring aromatic feature. And the best HypoRefine model Hypo1_II for type II kinase inhibitors, which was characterized by the best correlation coefficient (0.976032) and the lowest RMSD (0.74204), consists of two hydrogen-bond donors, one hydrophobic aromatic, and two general hydrophobic features, as well as two excluded volumes. These pharmacophore models have been validated by using either or both test set and cross validation methods, which shows that both the Hypo1_I and Hypo1_II have a good predictive ability. The space arrangements of the pharmacophore features in Hypo1_II are consistent with the locations of the three portions making up a typical type II kinase inhibitor, namely, the portion occupying the ATP binding region (ATP-binding-region portion, AP), that occupying the hydrophobic region (hydrophobic-region portion, HP), and that linking AP and HP (bridge portion, BP). Our study also reveals that the ATP-binding-region portion of the type II kinase inhibitors plays an important role to the bioactivity of the type II kinase inhibitors. Structural modifications on this portion should be helpful to further improve the inhibitory potency of type II kinase inhibitors. PMID:19138543

  9. Multidimensional realistic modelling of Cepheid-like variables - II. Analysis of a Cepheid model

    NASA Astrophysics Data System (ADS)

    Mundprecht, Eva; Muthsam, Herbert J.; Kupka, Friedrich

    2015-05-01

    Non-local, time-dependent convection models have been used to explain the location of double-mode pulsations in Cepheids in the HR diagram as well as the existence and location of the red edge of the instability strip. These properties are highly sensitive to model parameters. We use 2D radiation-hydrodynamical simulations with realistic microphysics and grey radiative transfer to model a short-period Cepheid. The simulations show that the strength of the convection zone varies significantly over the pulsation period and exhibits a phase shift relative to the variations in radius. We evaluate the convective flux and the work integral as predicted by the most common convection models. It turns out that over one pulsation cycle the model parameter αc, has to be varied by up to a factor of beyond 2 to match the convective flux obtained from the simulations. To bring convective fluxes integrated over the He II convection zone and the overshoot zone below into agreement, this parameter has to be varied by a factor of up to ˜7.5 (Kuhfuß). We then present results on the energetics of the convection and overshoot zone by radially symmetric and fluctuating quantities. To successfully model this scenario by a static, 1D or even by a simple time-dependent model appears extremely challenging. We conclude that significant improvements are needed to make predictions based on 1D models more robust and to improve the reliability of conclusions on the convection-pulsation coupling drawn from them. Multidimensional simulations can provide guidelines for developing descriptions of convection then applied in traditional 1D modelling.

  10. SCIENTIFIC UNCERTAINTIES IN ATMOSPHERIC MERCURY MODELS III: BOUNDARY AND INITIAL CONDITIONS, MODEL GRID RESOLUTION, AND HG(II) REDUCTION MECHANISMS

    EPA Science Inventory

    In this study we investigate the CMAQ model response in terms of simulated mercury concentration and deposition to boundary/initial conditions (BC/IC), model grid resolution (12- versus 36-km), and two alternative Hg(II) reduction mechanisms. The model response to the change of g...

  11. Low-order dynamic modeling of the Experimental Breeder Reactor II

    SciTech Connect

    Berkan, R.C. . Dept. of Nuclear Engineering); Upadhyaya, B.R.; Kisner, R.A. )

    1990-07-01

    This report describes the development of a low-order, linear model of the Experimental Breeder Reactor II (EBR-II), including the primary system, intermediate heat exchanger, and steam generator subsystems. The linear model is developed to represent full-power steady state dynamics for low-level perturbations. Transient simulations are performed using model building and simulation capabilities of the computer software Matrix{sub x}. The inherently safe characteristics of the EBR-II are verified through the simulation studies. The results presented in this report also indicate an agreement between the linear model and the actual dynamics of the plant for several transients. Such models play a major role in the learning and in the improvement of nuclear reactor dynamics for control and signal validation studies. This research and development is sponsored by the Advanced Controls Program in the Instrumentation and Controls Division of the Oak Ridge National Laboratory. 17 refs., 67 figs., 15 tabs.

  12. Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

    NASA Astrophysics Data System (ADS)

    Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-12-01

    Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

  13. Standard model Higgs boson searches at CDF in Run II

    SciTech Connect

    Chuang, Shan-Huei; /Wisconsin U., Madison

    2004-10-01

    The SM Higgs boson has been searched in two channels: (1) q{bar q} {yields} WH {yields} {ell}{nu}b{bar b} for Higgs masses 110 < M{sub H} < 150 GeV and (2) gg {yields} H {yields} WW {yields} {ell}{nu}{ell}{nu} for 140 M{sub H} < 180 GeV, where {ell} {element_of} {l_brace}e,{mu}{r_brace}, using about 200 pb{sup -1} CDF Run II data. 95% C.L. limits on each Higgs production at Tevatron at {radical}s = 1.96 TeV were set as a function of Higgs mass by fitting the distribution of dijet mass (1) and dilepton azimuthal angular separation (2). They have significantly advanced the sensitivity to the SM Higgs boson cf. Run I.

  14. Review: Lessons from in vitro studies and a related intracellular angiotensin II transgenic mouse model

    PubMed Central

    Re, Richard N.

    2012-01-01

    In the classical renin-angiotensin system, circulating ANG II mediates growth stimulatory and hemodynamic effects through the plasma membrane ANG II type I receptor, AT1. ANG II also exists in the intracellular space in some native cells, and tissues and can be upregulated in diseases, including hypertension and diabetes. Moreover, intracellular AT1 receptors can be found associated with endosomes, nuclei, and mitochondria. Intracellular ANG II can function in a canonical fashion through the native receptor and also in a noncanonical fashion through interaction with alternative proteins. Likewise, the receptor and proteolytic fragments of the receptor can function independently of ANG II. Participation of the receptor and ligand in alternative intracellular pathways may serve to amplify events that are initiated at the plasma membrane. We review historical and current literature relevant to ANG II, compared with other intracrines, in tissue culture and transgenic models. In particular, we describe a new transgenic mouse model, which demonstrates that intracellular ANG II is linked to high blood pressure. Appreciation of the diverse, pleiotropic intracellular effects of components of the renin-angiotensin system should lead to alternative disease treatment targets and new therapies. PMID:22170617

  15. Picosecond electron transfer in diporphyrin models of Photosystem II of green plants

    SciTech Connect

    Netzel, T L; Fujita, I; Wang, C B; Fajer, J

    1980-01-01

    Green plants and photosynthetic bacteria efficiently transform the energy of an absorbed photon into redox products. Current in vivo and in vitro studies on Photosystem II (PS II) suggest the electron donor is a chlorophyll monomer, ligated to produce the high oxidation potential of P680, and the electron acceptor is pheophytin, a metal-free chlorophyll. This study probes the behavior of this PS II model in solvents of high dielectric constant and tests the sensitivity of its charge transfer reactions to increases in linking chain length as well as to changes in the relative orientation of the porphyrin subunits. (ACR)

  16. Aluminum Deoxidation Equilibria in Liquid Iron: Part II. Thermodynamic Modeling

    NASA Astrophysics Data System (ADS)

    Paek, Min-Kyu; Pak, Jong-Jin; Kang, Youn-Bae

    2015-10-01

    Al deoxidation equilibria in liquid iron over the whole composition range from very low Al ([pct Al] = 0.0027) to almost pure liquid Al were thermodynamically modeled for the first time using the Modified Quasichemical Model in the pair approximation for the liquid phase. The present modeling is distinguished from previous approaches in many ways. First, very strong attractions between metallic components, Fe and Al, and non-metallic component, O, were taken into account explicitly in terms of Short-Range Ordering. Second, the present thermodynamic modeling does not distinguish solvent and solutes among metallic components, and the model calculation can be applied from pure liquid Fe to pure liquid Al. Therefore, this approach is thermodynamically self-consistent, contrary to the previous approaches using interaction parameter formalism. Third, the present thermodynamic modeling describes an integral Gibbs energy of the liquid alloy in the framework of CALPHAD; therefore, it can be further used to develop a multicomponent thermodynamic database for liquid steel. Fourth, only a small temperature-independent parameter for ternary liquid was enough to account for the Al deoxidation over wide concentration (0.0027 < [pct Al] < 100) and wide temperature range [1823 K to 2139 K (1550 °C to 1866 °C)]. Gibbs energies of Fe-O and Al-O binary liquid solutions at metal-rich region (up to oxide saturation) were modeled, and relevant model parameters were optimized. By merging these Gibbs energy descriptions with that of Fe-Al binary liquid modeled by the same modeling approach, the Gibbs energy of ternary Fe-Al-O solution at metal-rich region was obtained along with one small ternary parameter. It was shown that the present model successfully reproduced all available experimental data for the Al deoxidation equilibria. Limit of previously used interaction parameter formalism at high Al concentration is discussed.

  17. FABRIC FILTER MODEL FORMAT CHANGE; VOLUME II. USER'S GUIDE

    EPA Science Inventory

    The report describes an improved mathematical model for use by control personnel to determine the adequacy of existing or proposed filter systems designed to minimize coal fly ash emissions. Several time-saving steps have been introduced to facilitate model application by Agency ...

  18. A Primary Prevention Program: Teaching Models I and II.

    ERIC Educational Resources Information Center

    Harlan, Nancy T; Tschiderer, Patricia A.

    Two teaching models of a service delivery program designed to prevent speech-language problems in lower socioeconomic children were compared. Specific goals included increasing mothers' awareness of the sensory input to which infants are responsive and increasing mothers' abilities to read infant nonverbal signals. In Model 1, two speech-language…

  19. Multiscale geometric modeling of macromolecules II: Lagrangian representation

    PubMed Central

    Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

    2013-01-01

    Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X-ray, NMR and cryo-EM, and theoretical/mathematical models, such as molecular dynamics, the Poisson-Boltzmann equation and the Nernst-Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger’s functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent-solute interaction, and ion channel dynamics, while our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions. PMID:23813599

  20. Rhode Island Model Evaluation & Support System: Support Professional. Edition II

    ERIC Educational Resources Information Center

    Rhode Island Department of Education, 2015

    2015-01-01

    Rhode Island educators believe that implementing a fair, accurate, and meaningful evaluation and support system for support professionals will help improve student outcomes. The primary purpose of the Rhode Island Model Support Professional Evaluation and Support System (Rhode Island Model) is to help all support professionals do their best work…

  1. AGRICULTURAL RUNOFF MANAGEMENT (ARM) MODEL VERSION II: REFINEMENT AND TESTING

    EPA Science Inventory

    The Agricultural Runoff Management (ARM) Model has been refined and tested on small agricultural watersheds in Georgia and Michigan. The ARM Model simulates the hydrologic, sediment production, pesticide, and nutrient processes on the land surface and in the soil profile that det...

  2. Multiscale geometric modeling of macromolecules II: Lagrangian representation.

    PubMed

    Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

    2013-09-15

    Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics, and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X-ray, NMR, and cryo-electron microscopy, and theoretical/mathematical models, such as molecular dynamics, the Poisson-Boltzmann equation, and the Nernst-Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger's functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent-solute interaction, and ion channel dynamics, whereas our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions. PMID:23813599

  3. [Collaboration among health professionals (II). Usefulness of a model].

    PubMed

    D'Amour, Danielle; San Martín Rodríguez, Leticia

    2006-09-01

    This second article provides a model which helps one to better understand the process of collaboration by interprofessional teams and makes it possible to evaluate the quality of the aforementioned collaboration. To this end, the authors first present a structural model of inter-professional collaboration followed by a typology of collaboration which is derived from the functionality of said model. This model is composed by four interrelated dimensions; the functionality of these has given rise to a typology of collaboration at three intensities: in action, in construction and collaboration during inertia. The model and the typology constitute a useful tool for managers and for health professionals since they help to better understand, manage and develop collaboration among the distinct professionals inside of the same organization as among those who belong to distinct organizations. PMID:17061473

  4. The Clinical Teacher for Special Education. Final Report: Volume II; Evaluating the Model.

    ERIC Educational Resources Information Center

    Schwartz, Louis; Oseroff, Andrew

    Effectiveness of the clinical teaching model (CTM) developed at Florida State University is documented in Volume II of the project's final report. Reviewed is literature related to teacher effectiveness and conceptual changes, conceptual models and instructional systems, and evaluation research in education. Research design and procedures are…

  5. Test/analysis correlation and model updating of the STARS I II missile systems

    SciTech Connect

    Fulcher, C.W.; Marek, E.L.; Mayes, R.L.

    1992-01-01

    The testing, modeling, and test/analysis correlation of the STARS I II missile systems is reviewed. The STARS project is described. The system identification methodology is discussed. A series of modal tests designed to characterize the various structural components is summmarized. The development and updating of detailed finite element models, in a test/analysis correlation process, is presented.

  6. Comparison of Factor Structure Models for the Beck Depression Inventory--II

    ERIC Educational Resources Information Center

    Ward, L. Charles

    2006-01-01

    Factor analyses of the Beck Depression Inventory--II (A. T. Beck, R. A. Steer, & G. K. Brown, 1996) have frequently produced 2 different 2-factor oblique structures. The author used confirmatory factor analyses to compare these structures with a general-factor model with 2 orthogonal group factors. The general-factor model fit as well as or better…

  7. Conceptual Modeling in the Time of the Revolution: Part II

    NASA Astrophysics Data System (ADS)

    Mylopoulos, John

    Conceptual Modeling was a marginal research topic at the very fringes of Computer Science in the 60s and 70s, when the discipline was dominated by topics focusing on programs, systems and hardware architectures. Over the years, however, the field has moved to centre stage and has come to claim a central role both in Computer Science research and practice in diverse areas, such as Software Engineering, Databases, Information Systems, the Semantic Web, Business Process Management, Service-Oriented Computing, Multi-Agent Systems, Knowledge Management, and more. The transformation was greatly aided by the adoption of standards in modeling languages (e.g., UML), and model-based methodologies (e.g., Model-Driven Architectures) by the Object Management Group (OMG) and other standards organizations. We briefly review the history of the field over the past 40 years, focusing on the evolution of key ideas. We then note some open challenges and report on-going research, covering topics such as the representation of variability in conceptual models, capturing model intentions, and models of laws.

  8. Measurement and modeling of advanced coal conversion processes, Volume II

    SciTech Connect

    Solomon, P.R.; Serio, M.A.; Hamblen, D.G.

    1993-06-01

    A two dimensional, steady-state model for describing a variety of reactive and nonreactive flows, including pulverized coal combustion and gasification, is presented. The model, referred to as 93-PCGC-2 is applicable to cylindrical, axi-symmetric systems. Turbulence is accounted for in both the fluid mechanics equations and the combustion scheme. Radiation from gases, walls, and particles is taken into account using a discrete ordinates method. The particle phase is modeled in a lagrangian framework, such that mean paths of particle groups are followed. A new coal-general devolatilization submodel (FG-DVC) with coal swelling and char reactivity submodels has been added.

  9. The structural and functional effects of Hg(II) and Cd(II) on lipid model systems and human erythrocytes: A review.

    PubMed

    Payliss, Brandon J; Hassanin, Mohamed; Prenner, Elmar J

    2015-12-01

    The anthropogenic mobilization of mercury and cadmium into the biosphere has led to an increased and ineludible entry of these metals into biological systems. Here we discuss the impact of Hg(II) and Cd(II) on lipid model systems and human erythrocytes from a biophysical perspective. After a brief introduction to their implications on human health, studies that have investigated the effects of Hg(II) and Cd(II) on lipid model systems and human erythrocytes are discussed. In terms of lipids as toxicological target sites, predominantly variations in lipid head groups have been the source of investigation. However, as research in this field progresses, the effects of Hg(II) and Cd(II) on other structural features, such as acyl chain length and unsaturation, and other important lipid components and complex biomimetic lipid mixtures, will require further examinations. This review provides an analysis of what has been learned collectively from the diverse methodologies and experimental conditions used thus far. Consequently, there is a need for more comprehensive and thorough investigations into the effects of Hg(II) and Cd(II) on lipid membranes under consistent experimental conditions such as pH, ionic strength, temperature, and choice of lipid model system. PMID:26455331

  10. Comprehensive computer model for magnetron sputtering. II. Charged particle transport

    SciTech Connect

    Jimenez, Francisco J. Dew, Steven K.; Field, David J.

    2014-11-01

    Discharges for magnetron sputter thin film deposition systems involve complex plasmas that are sensitively dependent on magnetic field configuration and strength, working gas species and pressure, chamber geometry, and discharge power. The authors present a numerical formulation for the general solution of these plasmas as a component of a comprehensive simulation capability for planar magnetron sputtering. This is an extensible, fully three-dimensional model supporting realistic magnetic fields and is self-consistently solvable on a desktop computer. The plasma model features a hybrid approach involving a Monte Carlo treatment of energetic electrons and ions, along with a coupled fluid model for thermalized particles. Validation against a well-known one-dimensional system is presented. Various strategies for improving numerical stability are investigated as is the sensitivity of the solution to various model and process parameters. In particular, the effect of magnetic field, argon gas pressure, and discharge power are studied.

  11. Red supergiants in the LMC - II. Spectrophotometry and model atmospheres

    NASA Astrophysics Data System (ADS)

    Oestreicher, M. O.; Schmidt-Kaler, Th.

    1998-09-01

    Spectrophotometric observations for 88 red supergiant candidates in the Large Magellanic Cloud are presented. The spectra range from 4800 to 7700Angstroms with a resolution of 10Angstroms. The error in the absolute fluxes is 0.04 to 0.05mag. The molecular bands of the member stars are often rather weak, i.e. many of these are not M- but K-type supergiants. The data are available on the Strasbourg stellar data base (CDS). Most of the red (super)giant model atmospheres available up to now do not reproduce the observations well. The models of Kurucz and Lejeune, Cuisinier & Buser - often applied especially to population synthesis - correctly describe the strengths of atomic lines and the overall increase of the flux towards the red, but strongly underestimate the strengths of molecular bands. The models presented by Plez, however, tend to reproduce the observed spectra well, except for the blue, as they include a more complete list of opacity sources. Concerning physical properties, only the Plez models give reliable results. Considering the relation between effective temperature and the strengths of molecular bands, both the Kurucz and Lejeune models predict much higher temperatures than derived from the interferometric radius measurements discussed by Schmidt-Kaler and Dyck et al. The temperatures given by the Plez models show a much better agreement with these observations. Furthermore, the relation between T_eff and molecular absorption is much more clearly defined. When considering metallicities, however, the Plez models also fail, as they predict a [Fe/H] distribution that is much too broad, and furthermore an increase of T_eff with increasing [Fe/H] which clearly contradicts models of stellar evolution. The effective temperatures based on the Plez models range mostly from 3500 to 4100K. The surface gravities derived on the basis of the Geneva evolutionary models range from logg=-0.3 to 0.3, while the bolometric luminosities based on BVRIJHK observations range

  12. Spatial modelling of type II diabetes outcomes: a systematic review of approaches used

    PubMed Central

    Baker, Jannah; White, Nicole; Mengersen, Kerrie

    2015-01-01

    With the rising incidence of type II diabetes mellitus (DM II) worldwide, methods to identify high-risk geographical areas have become increasingly important. In this comprehensive review following Cochrane Collaboration guidelines, we outline spatial methods, outcomes and covariates used in all spatial studies involving outcomes of DM II. A total of 1894 potentially relevant citations were identified. Studies were included if spatial methods were used to explore outcomes of DM II or type I and 2 diabetes combined. Descriptive tables were used to summarize information from included studies. Ten spatial studies conducted in the USA, UK and Europe met selection criteria. Three studies used Bayesian generalized linear mixed modelling (GLMM), three used classic generalized linear modelling, one used classic GLMM, two used geographic information systems mapping tools and one compared case:provider ratios across regions. Spatial studies have been effective in identifying high-risk areas and spatial factors associated with DM II outcomes in the USA, UK and Europe, and would be useful in other parts of the world for allocation of additional services to detect and manage DM II early. PMID:26543572

  13. Analysis of a model for the dynamics of prions II

    NASA Astrophysics Data System (ADS)

    Engler, Hans; Pruss, Jan; Webb, Glenn F.

    2006-12-01

    A new mathematical model for the dynamics of prion proliferation involving an ordinary differential equation coupled with a partial integro-differential equation is analyzed, continuing the work in [J. Pruss, L. Pujo-Menjouet, G.F. Webb, R. Zacher, Analysis of a model for the dynamics of prions, Discrete Contin. Dyn. Syst. 6 (2006) 225-235]. We show the well-posedness of this problem in its natural phase space , i.e., there is a unique global semiflow on Z+ associated to the problem. A theorem of threshold type is derived for this model which is typical for mathematical epidemics. If a certain combination of kinetic parameters is below or at the threshold, there is a unique steady state, the disease-free equilibrium, which is globally asymptotically stable in Z+; above the threshold it is unstable, and there is another unique steady state, the disease equilibrium, which inherits that property.

  14. GSTARS computer models and their applications, Part II: Applications

    USGS Publications Warehouse

    Simoes, F.J.M.; Yang, C.T.

    2008-01-01

    In part 1 of this two-paper series, a brief summary of the basic concepts and theories used in developing the Generalized Stream Tube model for Alluvial River Simulation (GSTARS) computer models was presented. Part 2 provides examples that illustrate some of the capabilities of the GSTARS models and how they can be applied to solve a wide range of river and reservoir sedimentation problems. Laboratory and field case studies are used and the examples show representative applications of the earlier and of the more recent versions of GSTARS. Some of the more recent capabilities implemented in GSTARS3, one of the latest versions of the series, are also discussed here with more detail. ?? 2008 International Research and Training Centre on Erosion and Sedimentation and the World Association for Sedimentation and Erosion Research.

  15. Detection of chromoluminance patterns on chromoluminance pedestals II: model.

    PubMed

    Chen, C; Foley, J M; Brainard, D H

    2000-01-01

    A model for chromoluminance pattern detection and pedestal effects is described. This model has five stages. The stimulus is first processed by the cone array and then by color-spatial linear operators. The outputs of the linear operators may be expressed as weighted sums of cone contrasts over space. There are three opposite sign pairs of linear spatial operators in the model. Their spectral tuning at each point in space is similar to the luminance, green/red and blue/yellow mechanisms in color opponent models, but their sensitivity to cone inputs varies as a function of space. The operators in each pair are the same except that the signs of the cone inputs in one are the opposite of those in the other. A non-linear response operator follows each linear operator. It receives two inputs, one excitatory and the other divisive inhibitory. The excitatory input is the half-wave rectified output of one of the linear operators. The inhibitory input is a non-linear sum of all linear operator outputs. The non-linear response operator raises the excitatory input to a power, and divides it by the inhibitory input plus a constant to produce the response. The detection variable is computed by combining the difference in response to target-plus-pedestal and pedestal alone across the three non-linear operators. The model accounts well for the large data set presented in the companion paper and is generally consistent with other results in the literature. The spectral sensitivities of the inferred chromoluminance pattern mechanisms are similar to those obtained with different methods. The data set is shown to be inconsistent with several other models. PMID:10683456

  16. A numerical model of acoustic choking. II - Shocked solutions

    NASA Astrophysics Data System (ADS)

    Walkington, N. J.; Eversman, W.

    1986-01-01

    The one dimensional equations of gas dynamics are used to model subsonic acoustic choking. This model can accommodate non-linear distortion of waves and the eventual formation of shock waves. Several finite differencing schemes are adapted to obtain solutions. The results obtained with the various schemes are compared with the asymptotic results available. The results suggest that no one finite differencing scheme gives solutions significantly better than the others and that most of the difference solutions are close to the asymptotic results. If the acoustic shock wave is sufficiently strong it almost annihilates the acoustic wave; in this situation numerical errors may dominate the results. Such solutions involve very large acoustic attenuations.

  17. Modeling an electro-photographic printer, part II: color systems

    NASA Astrophysics Data System (ADS)

    Kriss, Michael A.

    2007-01-01

    This paper will outline a simplified model for the development of toner dots on a reflective support in a color electro-photographic system. A model developed for a monochrome system will be adapted to a color imaging system where four pigments, each capable of scatting light, is used to form a digital halftone image. The combination of physical and optical dot gains, interlayer scattering, on-dot and off-dot digital halftones will be explored and the results demonstrated in terms color shifts due to layer order and dot gain due to halftone geometry.

  18. Spatial Moran models, II: cancer initiation in spatially structured tissue

    PubMed Central

    Foo, J; Leder, K

    2016-01-01

    We study the accumulation and spread of advantageous mutations in a spatial stochastic model of cancer initiation on a lattice. The parameters of this general model can be tuned to study a variety of cancer types and genetic progression pathways. This investigation contributes to an understanding of how the selective advantage of cancer cells together with the rates of mutations driving cancer, impact the process and timing of carcinogenesis. These results can be used to give insights into tumor heterogeneity and the “cancer field effect,” the observation that a malignancy is often surrounded by cells that have undergone premalignant transformation. PMID:26126947

  19. Autocorrelation and regularization in digital images. II - Simple image models

    NASA Technical Reports Server (NTRS)

    Jupp, David L. B.; Strahler, Alan H.; Woodcock, Curtis E.

    1989-01-01

    The variogram function used in geostatistical analysis is a useful statistic in the analysis of remotely sensed images. Using the results derived by Jupp et al. (1988), the basic second-order, or covariance, properties of scenes modeled by simple disks of varying size and spacing after imaging into disk-shaped pixels are analyzed to explore the relationship betwee image variograms and discrete object scene structure. The models provide insight into the nature of real images of the earth's surface and the tools for a complete analysis of the more complex case of three-dimensional illuminated discrete-object images.

  20. The use of MAVIS II to integrate the modeling and analysis of explosive valve interactions

    SciTech Connect

    Ng, R.; Kwon, D.M.

    1998-12-31

    The MAVIS II computer program provides for the modeling and analysis of explosive valve interactions. This report describes the individual components of the program and how MAVIS II is used with other available tools to integrate the design and understanding of explosive valves. The rationale and model used for each valve interaction is described. Comparisons of the calculated results with available data have demonstrated the feasibility and accuracy of using MAVIS II for analytical studies of explosive valve interactions. The model used for the explosive or pyrotechnic used as the driving force in explosive valves is the most critical to be understood and modeled. MAVIS II is an advanced version that incorporates a plastic, as well as elastic, modeling of the deformations experienced when plungers are forced into a bore. The inclusion of a plastic model has greatly expanded the use of MAVIS for all categories (opening, closure, or combined) of valves, especially for the closure valves in which the sealing operation requires the plastic deformation of either a plunger or bore over a relatively large area. In order to increase its effectiveness, the use of MAVIS II should be integrated with the results from available experimental hardware. Test hardware such as the Velocity Interferometer System for Any Reflector (VISAR) and Velocity Generator test provide experimental data for accurate comparison of the actual valve functions. Variable Explosive Chamber (VEC) and Constant Explosive Volume (CEV) tests are used to provide the proper explosive equation-of-state for the MAVIS calculations of the explosive driving forces. The rationale and logistics of this integration is demonstrated through an example. A recent valve design is used to demonstrate how MAVIS II can be integrated with experimental tools to provide an understanding of the interactions in this valve.

  1. Demonstrations in Solute Transport Using Dyes: Part II. Modeling.

    ERIC Educational Resources Information Center

    Butters, Greg; Bandaranayake, Wije

    1993-01-01

    A solution of the convection-dispersion equation is used to describe the solute breakthrough curves generated in the demonstrations in the companion paper. Estimation of the best fit model parameters (solute velocity, dispersion, and retardation) is illustrated using the method of moments for an example data set. (Author/MDH)

  2. Nutrient Dynamics in Flooded Wetlands. II: Model Application

    EPA Science Inventory

    In this paper we applied and evaluated the wetland nutrient model described in an earlier paper. Hydrologic and water quality data from a small restored wetland located on Kent Island, Maryland, which is part of the Delmarva Peninsula on the Eastern shores of the Chesapeake Bay...

  3. The use of model potentials in molecular calculations. II

    NASA Astrophysics Data System (ADS)

    Sakai, Y.; Huzinaga, S.

    1982-03-01

    The model potential method is applied to CO, HCl, P2, Cl2, SH2, Cu2, Br2, Ni(CO)4, and Pd(CO)4. The results are generally very satisfactory. Reduction of computing cost is substantial for molecules containing heavy atoms.

  4. Modeling Degradation in Solid Oxide Electrolysis Cells - Volume II

    SciTech Connect

    Manohar Motwani

    2011-09-01

    Idaho National Laboratory has an ongoing project to generate hydrogen from steam using solid oxide electrolysis cells (SOECs). To accomplish this, technical and degradation issues associated with the SOECs will need to be addressed. This report covers various approaches being pursued to model degradation issues in SOECs. An electrochemical model for degradation of SOECs is presented. The model is based on concepts in local thermodynamic equilibrium in systems otherwise in global thermodynamic non-equilibrium. It is shown that electronic conduction through the electrolyte, however small, must be taken into account for determining local oxygen chemical potential,, within the electrolyte. The within the electrolyte may lie out of bounds in relation to values at the electrodes in the electrolyzer mode. Under certain conditions, high pressures can develop in the electrolyte just near the oxygen electrode/electrolyte interface, leading to oxygen electrode delamination. These predictions are in accordance with the reported literature on the subject. Development of high pressures may be avoided by introducing some electronic conduction in the electrolyte. By combining equilibrium thermodynamics, non-equilibrium (diffusion) modeling, and first-principles, atomic scale calculations were performed to understand the degradation mechanisms and provide practical recommendations on how to inhibit and/or completely mitigate them.

  5. Numerical modelling of mesoscale atmospheric dispersion. (Volumes I and II)

    SciTech Connect

    Moran, M.D.

    1992-01-01

    Mesoscale atmospheric dispersion is more complicated than smaller-scale dispersion because the mean wind field can no longer be considered steady or horizontally homogeneous over mesoscale time and space scales. Wind shear also plays an important role on the mesoscale, and horizontal dispersion can be enhanced and even dominated by vertical wind shear through either the simultaneous or delayed interaction of horizontal differential advection and vertical mixing. The CSU mesoscale atmospheric dispersion modelling system has been used in this study to simulate the transport and diffusion of a perfluorocarbon gas for episodic releases made during two mesoscale dispersion field experiments. The physiography of the two experimental domains was quite different, permitting isolation and examination of the roles of terrain forcing and differential advection in mesoscale atmospheric dispersion. Suites of numerical experiments of increasing complexity were carried out for both case studies. The experiments differed in the realism of their representation of both the synoptic-scale flow and the underlying terrain. The contributions of differential advection and mesoscale deformation to mesoscale dispersion dominated those of small-scale turbulent diffusion for both cases, and Pasquill's (1962) delayed-shear-enhancement mechanism for lateral dispersion was found to be particularly important. This study was also the first quantitative evaluation of the CSU mesoscale dispersion modelling system with episodic mesoscale dispersion field data. The modelling system showed considerable skill in predicting quantitative tracer-cloud characteristics such as peak concentration, maximum cloud width, arrival time, transit time, and crosswind integrated exposure. Model predictions also compared favorably with predictions made by a number of other mesoscale dispersion models for the same two case studies.

  6. Differential geometry based solvation model II: Lagrangian formulation.

    PubMed

    Chen, Zhan; Baker, Nathan A; Wei, G W

    2011-12-01

    Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation models. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The optimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and PB equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of

  7. Model scattering envelopes of young stellar objects. II - Infalling envelopes

    NASA Technical Reports Server (NTRS)

    Whitney, Barbara A.; Hartmann, Lee

    1993-01-01

    We present scattered light images for models of young stellar objects surrounded by dusty envelopes. The envelopes are assumed to have finite angular momentum and are falling in steady flow onto a disk. The model envelopes include holes, such as might be created by energetic bipolar flows. We calculate images using the Monte Carlo method to follow the light scattered in the dusty envelope and circumstellar disk, assuming that the photons originate from the central source. Adopting typical interstellar medium dust opacities and expected mass infall rates for protostars of about 10 exp -6 solar mass/yr, we find that detectable amounts of optical radiation can escape from envelopes falling into a disk as small as about 10-100 AU, depending upon the viewing angle and the size of the bipolar flow cavity. We suggest that the extended optical and near-IR light observed around several young stars is scattered by dusty infalling envelopes rather than disks.

  8. Differential geometry based solvation model II: Lagrangian formulation

    PubMed Central

    Chen, Zhan; Baker, Nathan A.; Wei, G. W.

    2010-01-01

    Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation model. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory (SPT) of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The minimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and Poisson-Boltzmann equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for

  9. Solving seismological problems using sgraph program: II-waveform modeling

    SciTech Connect

    Abdelwahed, Mohamed F.

    2012-09-26

    One of the seismological programs to manipulate seismic data is SGRAPH program. It consists of integrated tools to perform advanced seismological techniques. SGRAPH is considered a new system for maintaining and analyze seismic waveform data in a stand-alone Windows-based application that manipulate a wide range of data formats. SGRAPH was described in detail in the first part of this paper. In this part, I discuss the advanced techniques including in the program and its applications in seismology. Because of the numerous tools included in the program, only SGRAPH is sufficient to perform the basic waveform analysis and to solve advanced seismological problems. In the first part of this paper, the application of the source parameters estimation and hypocentral location was given. Here, I discuss SGRAPH waveform modeling tools. This paper exhibits examples of how to apply the SGRAPH tools to perform waveform modeling for estimating the focal mechanism and crustal structure of local earthquakes.

  10. A GLOBAL MAGNETIC TOPOLOGY MODEL FOR MAGNETIC CLOUDS. II

    SciTech Connect

    Hidalgo, M. A.

    2013-04-01

    In the present work, we extensively used our analytical approach to the global magnetic field topology of magnetic clouds (MCs), introduced in a previous paper, in order to show its potential and to study its physical consistency. The model assumes toroidal topology with a non-uniform (variable maximum radius) cross-section along them. Moreover, it has a non-force-free character and also includes the expansion of its cross-section. As is shown, the model allows us, first, to analyze MC magnetic structures-determining their physical parameters-with a variety of magnetic field shapes, and second, to reconstruct their relative orientation in the interplanetary medium from the observations obtained by several spacecraft. Therefore, multipoint spacecraft observations give the opportunity to infer the structure of this large-scale magnetic flux rope structure in the solar wind. For these tasks, we use data from Helios (A and B), STEREO (A and B), and Advanced Composition Explorer. We show that the proposed analytical model can explain quite well the topology of several MCs in the interplanetary medium and is a good starting point for understanding the physical mechanisms under these phenomena.

  11. Slag Behavior in Gasifiers. Part II: Constitutive Modeling of Slag

    SciTech Connect

    Massoudi, Mehrdad; Wang, Ping

    2013-02-07

    The viscosity of slag and the thermal conductivity of ash deposits are among two of the most important constitutive parameters that need to be studied. The accurate formulation or representations of the (transport) properties of coal present a special challenge of modeling efforts in computational fluid dynamics applications. Studies have indicated that slag viscosity must be within a certain range of temperatures for tapping and the membrane wall to be accessible, for example, between 1,300 °C and 1,500 °C, the viscosity is approximately 25 Pa·s. As the operating temperature decreases, the slag cools and solid crystals begin to form. Since slag behaves as a non-linear fluid, we discuss the constitutive modeling of slag and the important parameters that must be studied. We propose a new constitutive model, where the stress tensor not only has a yield stress part, but it also has a viscous part with a shear rate dependency of the viscosity, along with temperature and concentration dependency, while allowing for the possibility of the normal stress effects. In Part I, we reviewed, identify and discuss the key coal ash properties and the operating conditions impacting slag behavior.

  12. THE FORMATION OF IRIS DIAGNOSTICS. I. A QUINTESSENTIAL MODEL ATOM OF Mg II AND GENERAL FORMATION PROPERTIES OF THE Mg II h and k LINES

    SciTech Connect

    Leenaarts, J.; Pereira, T. M. D.; Carlsson, M.; De Pontieu, B.; Uitenbroek, H. E-mail: tiago.pereira@astro.uio.no E-mail: bdp@lmsal.com

    2013-08-01

    NASA's Interface Region Imaging Spectrograph (IRIS) space mission will study how the solar atmosphere is energized. IRIS contains an imaging spectrograph that covers the Mg II h and k lines as well as a slit-jaw imager centered at Mg II k. Understanding the observations will require forward modeling of Mg II h and k line formation from three-dimensional (3D) radiation-MHD models. This paper is the first in a series where we undertake this forward modeling. We discuss the atomic physics pertinent to h and k line formation, present a quintessential model atom that can be used in radiative transfer computations, and discuss the effect of partial redistribution (PRD) and 3D radiative transfer on the emergent line profiles. We conclude that Mg II h and k can be modeled accurately with a four-level plus continuum Mg II model atom. Ideally radiative transfer computations should be done in 3D including PRD effects. In practice this is currently not possible. A reasonable compromise is to use one-dimensional PRD computations to model the line profile up to and including the central emission peaks, and use 3D transfer assuming complete redistribution to model the central depression.

  13. Power Oscillator Circuit Modeling And Redesign For The Particle Beam Fusion Accelerator II (PBFA-II) Switch Trigger Laser

    NASA Astrophysics Data System (ADS)

    Smith, David L.; Hamil, Roy A.; Prestwich, Kenneth R.; Rohwein, Gerald J.; Donovan, Guy L.; Schaub, Charles M.

    1987-05-01

    The energy output and reliability of the multi-joule, injection-locked KrF laser used to trigger the PBFA II accelerator gas switches were improved through modifications identified in modeling the Blumlein driver circuit for the power oscillator. A combination of the SCEPTRE1 network solver code and JASON2 electrostatic field code were used to model the laser pulse-forming circuit in its single-channel rail gap configuration and modified versions with three or five discrete switches across the 1.45-m-wide, water-insulated transmission line. Three regularly spaced trigatron spark gaps resulted in a more uniformly driven laser volume with lower variations in voltages (10%) and rise times (9%) along its length. With the new configuration, over 3000 shots have been recorded without a single misfire compared to an average of ---25 shots before a prefire with the original design. The gas mix and pressure had to be optimized to match a given driver pulse voltage and rise time to achieve maximum performance from the laser. We summarize the model results which led to our decision to change the Blumlein switch configuration.

  14. Modeling of fluidized-bed combustion of coal: Phase II, final reports. Volume IV. FBC-Model-II manual

    SciTech Connect

    Louis, J.F.; Tung, S.E.

    1980-10-01

    This document is the fourth of the seven volume series of our Phase II Final Report. The purpose of this manual is to describe how to access and use M.I.T.'s Fluidized Bed Combustor (FBC) System Program. Presently, the FBC program is stored in a Honeywell Computer System and can be accessed using the Multics interactive system. The intention in writing this manual is to answer the questions that may arise regarding the mechanics of operating the system program, as well as warn the user of possible pitfalls and mistakes that could be made. No attempt is made here to describe the internals of the systems program. The manual describes the procedures an individual would follow to become an active user of the system program. It then explains the various options available for reaching the Multics interactive system on Honeywell 6180 computer on which the program runs. For users outside the Metropolitan Boston area, a public network for data communications is described which is relatively inexpensive. As the system program is approached through Multics using a special command facility TPSA, a separate introduction is provided for Multics TPSA. This facility allows commands appropriate for testing the program and carrying out parametric studies to be executed in a convenient way. Multics TPSA was formulated to meet the needs of the FBC project in particular. Finally, some sample sessions are presented which illustrate the login and logout procedures, the command language, and the data manipulation features of the FBC program. The use of commands helpful in debugging the program is also illustrated.

  15. Modeling direct interband tunneling. II. Lower-dimensional structures

    SciTech Connect

    Pan, Andrew; Chui, Chi On

    2014-08-07

    We investigate the applicability of the two-band Hamiltonian and the widely used Kane analytical formula to interband tunneling along unconfined directions in nanostructures. Through comparisons with k·p and tight-binding calculations and quantum transport simulations, we find that the primary correction is the change in effective band gap. For both constant fields and realistic tunnel field-effect transistors, dimensionally consistent band gap scaling of the Kane formula allows analytical and numerical device simulations to approximate non-equilibrium Green's function current characteristics without arbitrary fitting. This allows efficient first-order calibration of semiclassical models for interband tunneling in nanodevices.

  16. Modeling downstream fining in sand-bed rivers. II: Application

    USGS Publications Warehouse

    Wright, S.; Parker, G.

    2005-01-01

    In this paper the model presented in the companion paper, Wright and Parker (2005) is applied to a generic river reach typical of a large, sand-bed river flowing into the ocean in order to investigate the mechanisms controlling longitudinal profile development and downstream fining. Three mechanisms which drive downstream fining are studied: a delta prograding into standing water, sea-level rise, and tectonic subsidence. Various rates of sea-level rise (typical of the late Holocene) and tectonic subsidence are modeled in order to quantify their effects on the degree of profile concavity and downstream fining. Also, several other physical mechanisms which may affect fining are studied, including the relative importance of the suspended versus bed load, the effect of the loss of sediment overbank, and the influence of the delta bottom slope. Finally, sensitivity analysis is used to show that the grain-size distribution at the interface between the active layer and substrate has a significant effect on downstream fining. ?? 2005 International Association of Hydraulic Engineering and Research.

  17. Numerical modeling of radiation physics in kinetic plasmas [II

    NASA Astrophysics Data System (ADS)

    Paraschiv, Ioana; Sentoku, Yasuhiko; Mancini, Roberto

    2014-10-01

    X-ray radiation is an important feature of ultra-intense laser interactions with high Z materials. In order to take into account the radiation effects in the high energy density plasmas created by such interactions, we have modified the collisional particle-in-cell code PICLS to self-consistently model the x-ray radiation transport (RT). Solving the equation of radiation transport requires the creation of a non-LTE database of emissivities and opacities as functions of photon frequency for given densities, bulk electron temperatures, hot electron temperatures, and hot electron fractions. The database was generated using results computed by a non-equilibrium, collisional-radiative atomic kinetics code. Using the two-dimensional RT-PICLS code we have studied the X-ray transport in an ultrafast heated target and the dependence of the emitted K- α radiation on the fast electron dynamics in the solid target. The details of these results obtained from the implementation of the radiation transport model into the PICLS calculations will be reported in this presentation. Work supported by the DOE Office of Science Grant No. DE-SC0008827 and by the NNSA/DOE Grants No. DE-FC52-06NA27616 and DE-NA0002075.

  18. Energy deposition via magnetoplasmadynamic acceleration: II. modeling and performance predictions

    NASA Astrophysics Data System (ADS)

    Mikellides, P. G.; England, B.; Gilland, J. H.

    2009-02-01

    A time-dependent, two-dimensional, axisymmetric magnetohydrodynamics code is employed to model, validate and extend the experimentally-limited performance characteristics of a gigawatt-level plasma source that utilized magnetoplasmadynamic (MPD) acceleration for gas energy deposition. Accurate modeling required an upgrade of the code's circuit routines to properly capture the pulse-forming-network current waveform which also serves as the primary variable for validation. Comparisons with experimentally deduced current waveforms were in good agreement for all power levels. The simulations also produced values for the plasma voltage which were compared with the measured voltage across the electrodes. The trend agreement was encouraging while the magnitude of the discrepancy is approximately constant and interpreted as a representation of the electrode fall voltage. Force computations captured the expected electromagnetic acceleration trends and serve as further verification. They also allow examination of the device as a very high power MPD thruster operating at power levels in excess of 180 MW. The computations offer insights into the plasma's characteristics at different power levels through two-dimensional distributions of pertinent parameters and identify design guidelines for effective stagnation temperature values as a function of the mass-flow rate.

  19. DETAILED DECOMPOSITION OF GALAXY IMAGES. II. BEYOND AXISYMMETRIC MODELS

    SciTech Connect

    Peng, Chien Y.; Ho, Luis C.; Impey, Chris D.; Rix, Hans-Walter E-mail: lho@obs.carnegiescience.ed E-mail: rix@mpia-hd.mpg.d

    2010-06-15

    We present a two-dimensional (2D) fitting algorithm (GALFIT, ver. 3) with new capabilities to study the structural components of galaxies and other astronomical objects in digital images. Our technique improves on previous 2D fitting algorithms by allowing for irregular, curved, logarithmic and power-law spirals, ring, and truncated shapes in otherwise traditional parametric functions like the Sersic, Moffat, King, Ferrer, etc., profiles. One can mix and match these new shape features freely, with or without constraints, and apply them to an arbitrary number of model components of numerous profile types, so as to produce realistic-looking galaxy model images. Yet, despite the potential for extreme complexity, the meaning of the key parameters like the Sersic index, effective radius, or luminosity remains intuitive and essentially unchanged. The new features have an interesting potential for use to quantify the degree of asymmetry of galaxies, to quantify low surface brightness tidal features beneath and beyond luminous galaxies, to allow more realistic decompositions of galaxy subcomponents in the presence of strong rings and spiral arms, and to enable ways to gauge the uncertainties when decomposing galaxy subcomponents. We illustrate these new features by way of several case studies that display various levels of complexity.

  20. Modeling the distribution of Mg II absorbers around galaxies using background galaxies and quasars

    SciTech Connect

    Bordoloi, R.; Lilly, S. J.; Kacprzak, G. G.; Churchill, C. W.

    2014-04-01

    We present joint constraints on the distribution of Mg II absorption around high redshift galaxies obtained by combining two orthogonal probes, the integrated Mg II absorption seen in stacked background galaxy spectra and the distribution of parent galaxies of individual strong Mg II systems as seen in the spectra of background quasars. We present a suite of models that can be used to predict, for different two- and three-dimensional distributions, how the projected Mg II absorption will depend on a galaxy's apparent inclination, the impact parameter b and the azimuthal angle between the projected vector to the line of sight and the projected minor axis. In general, we find that variations in the absorption strength with azimuthal angles provide much stronger constraints on the intrinsic geometry of the Mg II absorption than the dependence on the inclination of the galaxies. In addition to the clear azimuthal dependence in the integrated Mg II absorption that we reported earlier in Bordoloi et al., we show that strong equivalent width Mg II absorbers (W{sub r} (2796) ≥ 0.3 Å) are also asymmetrically distributed in azimuth around their host galaxies: 72% of the absorbers in Kacprzak et al., and 100% of the close-in absorbers within 35 kpc of the center of their host galaxies, are located within 50° of the host galaxy's projected semi minor axis. It is shown that either composite models consisting of a simple bipolar component plus a spherical or disk component, or a single highly softened bipolar distribution, can well represent the azimuthal dependencies observed in both the stacked spectrum and quasar absorption-line data sets within 40 kpc. Simultaneously fitting both data sets, we find that in the composite model the bipolar cone has an opening angle of ∼100° (i.e., confined to within 50° of the disk axis) and contains about two-thirds of the total Mg II absorption in the system. The single softened cone model has an exponential fall off with azimuthal

  1. The Accretion Wind Model of Fermi Bubbles. II. Radiation

    NASA Astrophysics Data System (ADS)

    Mou, Guobin; Yuan, Feng; Gan, Zhaoming; Sun, Mouyuan

    2015-09-01

    In a previous work, we have shown that the formation of Fermi bubbles can be due to the interaction between winds launched from the hot accretion flow in Sgr A* and the interstellar medium (ISM). In that work, we focus only on the morphology. In this paper we continue our study by calculating the gamma-ray radiation. Some cosmic-ray protons (CRp) and electrons (CRe) must be contained in the winds, which are likely formed by physical processes such as magnetic reconnection. We have performed MHD simulations to study the spatial distribution of CRp, considering the advection and diffusion of CRp in the presence of magnetic field. We find that a permeated zone is formed just outside of the contact discontinuity between winds and the ISM, where the collisions between CRp and thermal nuclei mainly occur. The decay of neutral pions generated in the collisions, combined with the inverse Compton scattering of background soft photons by the secondary leptons generated in the collisions and primary CRe, can well explain the observed gamma-ray spectral energy distribution. Other features such as the uniform surface brightness along the latitude and the boundary width of the bubbles are also explained. The advantage of this “accretion wind” model is that the adopted wind properties come from the detailed small-scale MHD numerical simulation of accretion flows and the value of mass accretion rate has independent observational evidences. The success of the model suggests that we may seriously consider the possibility that cavities and bubbles observed in other contexts such as galaxy clusters may be formed by winds rather than jets.

  2. nIFTy galaxy cluster simulations - II. Radiative models

    NASA Astrophysics Data System (ADS)

    Sembolini, Federico; Elahi, Pascal Jahan; Pearce, Frazer R.; Power, Chris; Knebe, Alexander; Kay, Scott T.; Cui, Weiguang; Yepes, Gustavo; Beck, Alexander M.; Borgani, Stefano; Cunnama, Daniel; Davé, Romeel; February, Sean; Huang, Shuiyao; Katz, Neal; McCarthy, Ian G.; Murante, Giuseppe; Newton, Richard D. A.; Perret, Valentin; Puchwein, Ewald; Saro, Alexandro; Schaye, Joop; Teyssier, Romain

    2016-07-01

    We have simulated the formation of a massive galaxy cluster (M_{200}^crit = 1.1 × 1015 h-1 M⊙) in a Λ cold dark matter universe using 10 different codes (RAMSES, 2 incarnations of AREPO and 7 of GADGET), modelling hydrodynamics with full radiative subgrid physics. These codes include smoothed-particle hydrodynamics (SPH), spanning traditional and advanced SPH schemes, adaptive mesh and moving mesh codes. Our goal is to study the consistency between simulated clusters modelled with different radiative physical implementations - such as cooling, star formation and thermal active galactic nucleus (AGN) feedback. We compare images of the cluster at z = 0, global properties such as mass, and radial profiles of various dynamical and thermodynamical quantities. We find that, with respect to non-radiative simulations, dark matter is more centrally concentrated, the extent not simply depending on the presence/absence of AGN feedback. The scatter in global quantities is substantially higher than for non-radiative runs. Intriguingly, adding radiative physics seems to have washed away the marked code-based differences present in the entropy profile seen for non-radiative simulations in Sembolini et al.: radiative physics + classic SPH can produce entropy cores, at least in the case of non cool-core clusters. Furthermore, the inclusion/absence of AGN feedback is not the dividing line -as in the case of describing the stellar content - for whether a code produces an unrealistic temperature inversion and a falling central entropy profile. However, AGN feedback does strongly affect the overall stellar distribution, limiting the effect of overcooling and reducing sensibly the stellar fraction.

  3. Electronic structure of nickel(II) and zinc(II) borohydrides from spectroscopic measurements and computational modeling.

    PubMed

    Desrochers, Patrick J; Sutton, Christopher A; Abrams, Micah L; Ye, Shengfa; Neese, Frank; Telser, Joshua; Ozarowski, Andrew; Krzystek, J

    2012-03-01

    The previously reported Ni(II) complex, Tp*Ni(κ(3)-BH(4)) (Tp* = hydrotris(3,5-dimethylpyrazolyl)borate anion), which has an S = 1 spin ground state, was studied by high-frequency and -field electron paramagnetic resonance (HFEPR) spectroscopy as a solid powder at low temperature, by UV-vis-NIR spectroscopy in the solid state and in solution at room temperature, and by paramagnetic (11)B NMR. HFEPR provided its spin Hamiltonian parameters: D = 1.91(1) cm(-1), E = 0.285(8) cm(-1), g = [2.170(4), 2.161(3), 2.133(3)]. Similar, but not identical parameters were obtained for its borodeuteride analogue. The previously unreported complex, Tp*Zn(κ(2)-BH(4)), was prepared, and IR and NMR spectroscopy allowed its comparison with analogous closed shell borohydride complexes. Ligand-field theory was used to model the electronic transitions in the Ni(II) complex successfully, although it was less successful at reproducing the zero-field splitting (zfs) parameters. Advanced computational methods, both density functional theory (DFT) and ab initio wave function based approaches, were applied to these Tp*MBH(4) complexes to better understand the interaction between these metals and borohydride ion. DFT successfully reproduced bonding geometries and vibrational behavior of the complexes, although it was less successful for the spin Hamiltonian parameters of the open shell Ni(II) complex. These were instead best described using ab initio methods. The origin of the zfs in Tp*Ni(κ(3)-BH(4)) is described and shows that the relatively small magnitude of D results from several spin-orbit coupling (SOC) interactions of large magnitude, but with opposite sign. Spin-spin coupling (SSC) is also shown to be significant, a point that is not always appreciated in transition metal complexes. Overall, a picture of bonding and electronic structure in open and closed shell late transition metal borohydrides is provided, which has implications for the use of these complexes in catalysis and

  4. Double Higgs production at LHC, see-saw type-II and Georgi-Machacek model

    SciTech Connect

    Godunov, S. I. Vysotsky, M. I. Zhemchugov, E. V.

    2015-03-15

    The double Higgs production in the models with isospin-triplet scalars is studied. It is shown that in the see-saw type-II model, the mode with an intermediate heavy scalar, pp → H + X → 2h + X, may have the cross section that is comparable with that in the Standard Model. In the Georgi-Machacek model, this cross section could be much larger than in the Standard Model because the vacuum expectation value of the triplet can be large.

  5. Competitive sorption and selective sequence of Cu(II) and Ni(II) on montmorillonite: Batch, modeling, EPR and XAS studies

    NASA Astrophysics Data System (ADS)

    Yang, Shitong; Ren, Xuemei; Zhao, Guixia; Shi, Weiqun; Montavon, Gilles; Grambow, Bernd; Wang, Xiangke

    2015-10-01

    Heavy metal ions that leach from various industrial and agricultural processes are simultaneously present in the contaminated soil and water systems. The competitive sorption of these toxic metal ions on the natural soil components and sediments significantly influences their migration, bioavailability and ecotoxicity in the geochemical environment. In this study, the competitive sorption and selectivity order of Cu(II) and Ni(II) on montmorillonite are investigated by combining the batch experiments, X-ray diffraction (XRD), electron paramagnetic resonance (EPR), surface complexation modeling and X-ray Absorption Spectroscopy (XAS). The batch experimental data show that the coexisting Ni(II) exhibits a negligible influence on the sorption behavior of Cu(II), whereas the coexisting Cu(II) reduces the Ni(II) sorption percentage and changes the shape of the Ni(II) sorption isotherm. The sorption species of Cu(II) and Ni(II) on montmorillonite over the acidic and near-neutral pH range are well simulated by the surface complexation modeling. However, this model cannot identify the occurrence of surface nucleation and the co-precipitation processes at a highly alkaline pH. Based on the results of the EPR and XAS analyses, the microstructures of Cu(II) on montmorillonite are identified as the hydrated free Cu(II) ions at pH 5.0, inner-sphere surface complexes at pH 6.0 and the surface dimers/Cu(OH)2(s) precipitate at pH 8.0 in the single-solute and the binary-solute systems. For the Ni(II) sorption in the single-solute system, the formed microstructure varies from the hydrated free Ni(II) ions at the pH values of 5.0 and 6.0 to the inner-sphere surface complexes at pH 8.0. For the Ni(II) sorption in the binary-solute system, the coexisting Cu(II) induces the formation of the inner-sphere complexes at pH 6.0. In contrast, Ni(II) is adsorbed on montmorillonite via the formation of Ni phyllosilicate co-precipitate/α-Ni(OH)2(s) precipitate at pH 8.0. The selective sequence

  6. Multifrequency monitoring of RU Lupi. II. The model.

    NASA Astrophysics Data System (ADS)

    Lamzin, S. A.; Bisnovatyi-Kogan, G. S.; Errico, L.; Giovannelli, F.; Katysheva, N. A.; Rossi, C.; Vittone, A. A.

    1996-02-01

    The data obtained during multifrequency monitoring of extreme T Tauri star RU Lupi and presented in Giovannelli et al. (1995), are explained by a model in which a young star with a moderately strong global magnetic field is actively accreting mass from a circumstellar disk. We argue that the magnetic field pressure stops the accretion disk at the height ~R_*_ above the stellar surface. A part of the matter from the innermost regions of the accretion disk freezes into the global stellar magnetic field lines and then slides along them, accelerating via gravity up to velocity V_0_~300km/s. Finally the matter is stopped near the stellar surface via shock wave mechanism. The temperature and density of the gas immediately after the shock front are of the order of 10^6^K and 3x10^13^cm^-3^, respectively. Thermal energy of the shock is carried away via radiation, which cools the decelerating post-shock gas almost to the effective temperature of the star. A half of liberated thermal energy radiates away from the star, so that extreme UV and soft X-ray quanta heat and ionize inflowing gas of pre-shock zone. Thus we suppose that there are at least two regions with different physical conditions where the observed emission lines are formed: before and after shock front. The second half of radiation flux from post-shock zone moves inward and is absorbed in upper, still dense layers of stellar atmosphere (N>10^15^cm^-3^), forming a kind of transition region. A ring-like accretion belt around the magnetic pole is formed in each hemisphere of the star at gas temperature near 6500K. We argue that in the case of RU Lupi these two "spots" occupy ~30% of the stellar surface, and that these are the regions where observed optical and UV "veiling" continuum form. The model explains the continuum emission at λ>0.9μm as a result of the radiation of the accretion disk heated by viscous dissipation and the absorption of radiation from the stellar surface. The main parameters of RU Lupi as a

  7. NCASI (NATIONAL COUNCIL FOR AIR AND STREAM IMPROVEMENT) ENHANCEMENTS OF QUAL-II MODEL

    EPA Science Inventory

    The mathematical water quality model QUAL-II was modified to reflect advances in the understanding of algal, nutrient, and light interactions. Code changes also were made to incorporate hydraulic, boundary condition, water quality constituent, and rate coefficient features that h...

  8. Catalytic Oxygen Evolution by a Bioinorganic Model of the Photosystem II Oxygen-Evolving Complex

    ERIC Educational Resources Information Center

    Howard, Derrick L.; Tinoco, Arthur D.; Brudvig, Gary W.; Vrettos, John S.; Allen, Bertha Connie

    2005-01-01

    Bioinorganic models of the manganese Mn4 cluster are important not only as aids in understanding the structure and function of the oxygen-evolving complex (OEC), but also in developing artificial water-oxidation catalysts. The mechanism of water oxidation by photosystem II (PSII) is thought to involve the formation of a high-valent terminal Mn-oxo…

  9. EVALUATION AND SENSITIVITY ANALYSES RESULTS OF THE MESOPUFF II MODEL WITH CAPTEX MEASUREMENTS

    EPA Science Inventory

    The MESOPUFF II regional Lagrangian puff model has been evaluated and tested against measurements from the Cross-Appalachian Tracer Experiment (CAPTEX) data base in an effort to assess its abilIty to simulate the transport and dispersion of a nonreactive, nondepositing tracer plu...

  10. Triad model of education (II) and instructional engineering.

    PubMed

    Vargas, E A

    2007-11-01

    Despite the money and sweat that go into new instructional technologies, they do not produce the overall high level of student performances that societies seek. More effective teaching calls for a profound solution. It requires a coordinate triad of factors: a proper science, the correct organizational structure, and an engineering instructional technology. This second of a series of articles on the Triad Model of Education concentrates on instructional engineering. The instructional engineering drawn from the science is contingency-based. Contingency-based instructional systems always handle the inevitable two components of instruction: the repertoires of students and the setups that shape those repertoires. The setup component features five elements: subject matter, objectives, quality control, presentation modes, and logistics. The repertoire component consists of the governance of repertoires-event and lingual governed, the type of repertoire-knowing, solving, and creating, and the variability of the repertoire--convergent and divergent. These elements, and their required engineering, reveal an instructional task more complex than previously considered. Progress with such complexity occurs only when all components of the triad are in place. PMID:17992958

  11. Theory of stellar convection II: first stellar models

    NASA Astrophysics Data System (ADS)

    Pasetto, S.; Chiosi, C.; Chiosi, E.; Cropper, M.; Weiss, A.

    2016-04-01

    We present here the first stellar models on the Hertzsprung-Russell diagram (HRD), in which convection is treated according to the new scale-free convection theory (SFC theory) by Pasetto et al. (2014). The aim is to compare the results of the new theory with those from the classical, calibrated mixing-length (ML) theory to examine differences and similarities. We integrate the equations describing the structure of the atmosphere from the stellar surface down to a few percent of the stellar mass using both ML theory and SFC theory. The key temperature over pressure gradients, the energy fluxes, and the extension of the convective zones are compared in both theories. The analysis is first made for the Sun and then extended to other stars of different mass and evolutionary stage. The results are adequate: the SFC theory yields convective zones, temperature gradients ∇ and ∇e, and energy fluxes that are very similar to those derived from the "calibrated" MT theory for main sequence stars. We conclude that the old scale dependent ML theory can now be replaced with a self-consistent scale-free theory able to predict correct results, as it is more physically grounded than the ML theory. Fundamentally, the SFC theory offers a deeper insight of the underlying physics than numerical simulations.

  12. An Extended Equation of State Modeling Method II. Mixtures

    NASA Astrophysics Data System (ADS)

    Scalabrin, G.; Marchi, P.; Stringari, P.; Richon, D.

    2006-09-01

    This work is the extension of previous work dedicated to pure fluids. The same method is extended to the representation of thermodynamic properties of a mixture through a fundamental equation of state in terms of the Helmholtz energy. The proposed technique exploits the extended corresponding-states concept of distorting the independent variables of a dedicated equation of state for a reference fluid using suitable scale factor functions to adapt the equation to experimental data of a target system. An existing equation of state for the target mixture is used instead of an equation for the reference fluid, completely avoiding the need for a reference fluid. In particular, a Soave-Redlich-Kwong cubic equation with van der Waals mixing rules is chosen. The scale factors, which are functions of temperature, density, and mole fraction of the target mixture, are expressed in the form of a multilayer feedforward neural network, whose coefficients are regressed by minimizing a suitable objective function involving different kinds of mixture thermodynamic data. As a preliminary test, the model is applied to five binary and two ternary haloalkane mixtures, using data generated from existing dedicated equations of state for the selected mixtures. The results show that the method is robust and straightforward for the effective development of a mixture- specific equation of state directly from experimental data.

  13. Control of gravitropic orientation. II. Dual receptor model for gravitropism

    NASA Technical Reports Server (NTRS)

    LaMotte, Clifford E.; Pickard, Barbara G.

    2004-01-01

    Gravitropism of vascular plants has been assumed to require a single gravity receptor mechanism. However, based on the evidence in Part I of this study, we propose that maize roots require two. The first mechanism is without a directional effect and, by itself, cannot give rise to tropism. Its role is quantitative facilitation of the second mechanism, which is directional like the gravitational force itself and provides the impetus for tropic curvature. How closely coupled the two mechanisms may be is, as yet, unclear. The evidence for dual receptors supports a general model for roots. When readiness for gravifacilitation, or gravifacilitation itself, is constitutive, orthogravitropic curvature can go to completion. If not constitutively enabled, gravifacilitation can be weak in the absence of light and water deficit or strong in the presence of light and water deficit. In either case, it can decay and permit roots to assume reproducible non-vertical orientations (plagiogravitropic or plagiotropic orientations) without using non-vertical setpoints. In this way roots are deployed in a large volume of soil. Gravitropic behaviours in shoots are more diverse than in roots, utilising oblique and horizontal as well as vertical setpoints. As a guide to future experiments, we assess how constitutive v. non-constitutive modes of gravifacilitation might contribute to behaviours based on each kind of setpoint.

  14. Theory of stellar convection - II. First stellar models

    NASA Astrophysics Data System (ADS)

    Pasetto, S.; Chiosi, C.; Chiosi, E.; Cropper, M.; Weiss, A.

    2016-07-01

    We present here the first stellar models on the Hertzsprung-Russell diagram, in which convection is treated according to the new scale-free convection theory (SFC theory) by Pasetto et al. The aim is to compare the results of the new theory with those from the classical, calibrated mixing-length (ML) theory to examine differences and similarities. We integrate the equations describing the structure of the atmosphere from the stellar surface down to a few per cent of the stellar mass using both ML theory and SFC theory. The key temperature over pressure gradients, the energy fluxes, and the extension of the convective zones are compared in both theories. The analysis is first made for the Sun and then extended to other stars of different mass and evolutionary stage. The results are adequate: the SFC theory yields convective zones, temperature gradients ∇ and ∇e, and energy fluxes that are very similar to those derived from the `calibrated' MT theory for main-sequence stars. We conclude that the old scale dependent ML theory can now be replaced with a self-consistent scale-free theory able to predict correct results, as it is more physically grounded than the ML theory. Fundamentally, the SFC theory offers a deeper insight of the underlying physics than numerical simulations.

  15. Unified Model of the rf Plasma Sheath, Part II

    NASA Astrophysics Data System (ADS)

    Riley, Merle

    1996-10-01

    By developing an approximation to the first integral of the Poisson equation, one can obtain solutions for the current-voltage characteristics of an rf plasma sheath that are valid over the whole range of inertial response of the ions to an imposed rf voltage or current. (M.E.Riley, 1995 GEC, abstract QA5, published in Bull. Am. Phys. Soc., 40, 1587 (1995).) The theory has been shown to adequately reproduce current-voltage characteristics of two extreme cases (M.A. Lieberman, IEEE Trans. Plasma Sci. 16, 638 (1988). A. Metze, D.W. Ernie, and H.J.Oskam, J.Appl.Phys., 60, 3081 (1986).) of ion response. In this work I show the effect of different conventions for connecting the sheath model to the bulk plasma. Modifications of the Mach number and a finite electric field at the Bohm point are natural choices. The differences are examined for a sheath in a high density Ar plasma and are found to be insignificant. A theoretical argument favors the electric field modification. *Work performed at Sandia National Labs and supported by US DoE under contract DE-AC04-94AL85000.

  16. Active region upflows. II. Data driven magnetohydrodynamic modelling

    NASA Astrophysics Data System (ADS)

    Galsgaard, K.; Madjarska, M. S.; Vanninathan, K.; Huang, Z.; Presmann, M.

    2015-12-01

    Context. Observations of many active regions show a slow systematic outflow/upflow from their edges lasting from hours to days. At present no physical explanation has been proven, while several suggestions have been put forward. Aims: This paper investigates one possible method for maintaining these upflows assuming, that convective motions drive the magnetic field to initiate them through magnetic reconnection. Methods: We use Helioseismic and Magnetic Imager (HMI) data to provide an initial potential 3D magnetic field of the active region NOAA 11123 on 2010 November 13 where the characteristic upflow velocities are observed. A simple 1D hydrostatic atmospheric model covering the region from the photosphere to the corona is derived. Local correlation tracking of the magnetic features in the HMI data is used to derive a proxy for the time dependent velocity field. The time dependent evolution of the system is solved using a resistive 3D magnetohydrodynamic code. Results: The magnetic field contains several null points located well above the photosphere, with their fan planes dividing the magnetic field into independent open and closed flux domains. The stressing of the interfaces between the different flux domains is expected to provide locations where magnetic reconnection can take place and drive systematic flows. In this case, the region between the closed and open flux is identified as the region where observations find the systematic upflows. Conclusions: In the present experiment, the driving only initiates magneto-acoustic waves without driving any systematic upflows at any of the flux interfaces. Movie is available in electronic form at http://www.aanda.org

  17. ESEEM Analysis of Multi-Histidine Cu(II)-Coordination in Model Complexes, Peptides, and Amyloid-β

    PubMed Central

    2015-01-01

    We validate the use of ESEEM to predict the number of 14N nuclei coupled to a Cu(II) ion by the use of model complexes and two small peptides with well-known Cu(II) coordination. We apply this method to gain new insight into less explored aspects of Cu(II) coordination in amyloid-β (Aβ). Aβ has two coordination modes of Cu(II) at physiological pH. A controversy has existed regarding the number of histidine residues coordinated to the Cu(II) ion in component II, which is dominant at high pH (∼8.7) values. Importantly, with an excess amount of Zn(II) ions, as is the case in brain tissues affected by Alzheimer’s disease, component II becomes the dominant coordination mode, as Zn(II) selectively substitutes component I bound to Cu(II). We confirm that component II only contains single histidine coordination, using ESEEM and set of model complexes. The ESEEM experiments carried out on systematically 15N-labeled peptides reveal that, in component II, His 13 and His 14 are more favored as equatorial ligands compared to His 6. Revealing molecular level details of subcomponents in metal ion coordination is critical in understanding the role of metal ions in Alzheimer’s disease etiology. PMID:25014537

  18. Flight Model Development of Tokyo Tech Nano-Satellite Cute-1.7 + APD II

    NASA Astrophysics Data System (ADS)

    Ashida, Hiroki; Nishida, Junichi; Omagari, Kuniyuki; Fujiwara, Ken; Konda, Yasumi; Yamanaka, Tomio; Tanaka, Yohei; Maeno, Masaki; Fujihashi, Kota; Inagawa, Shinichi; Miura, Yoshiyuki; Matunaga, Saburo

    The Laboratory for Space Systems at the Tokyo Institute of Technology has developed the nano-satellite Cute-1.7+APD. The satellite was launched by JAXA M-V-8 rocket on February 22, 2006 and operated for about a month. A successor to the Cute-1.7+APD was developed and is named Cute-1.7+APD II. This new satellite is based on its predecessor but has some modifications. In this paper an overview of the Cute-1.7 series and flight model development of Cute-1.7+APD II are introduced.

  19. Line profile studies of hydrodynamical models of cometary compact H II regions

    NASA Astrophysics Data System (ADS)

    Zhu, Feng-Yao; Zhu, Qing-Feng

    2015-06-01

    We simulate the evolution of cometary H II regions based on several champagne flow models and bow shock models, and calculate the profiles of the [Ne II] fine-structure line at 12.81 μm, the H30α recombination line and the [Ne III] fine-structure line at 15.55 μm for these models at different inclinations of 0°, 30° and 60°. We find that the profiles in the bow shock models are generally different from those in the champagne flow models, but the profiles in the bow shock models with lower stellar velocity (≤ 5 km s-1) are similar to those in the champagne flow models. In champagne flow models, both the velocity of peak flux and the flux weighted central velocities of all three lines point outward from molecular clouds. In bow shock models, the directions of these velocities depend on the speed of stars. The central velocities of these lines are consistent with the stellar motion in the high stellar speed cases, but they are opposite directions from the stellar motion in the low speed cases. We notice that the line profiles from the slit along the symmetrical axis of the projected 2D image of these models are useful for distinguishing bow shock models from champagne flow models. It is also confirmed by the calculation that the flux weighted central velocity and the line luminosity of the [Ne III] line can be estimated from the [Ne II] line and the H30α line.

  20. Cosmological Parameter Uncertainties from SALT-II Type Ia Supernova Light Curve Models

    SciTech Connect

    Mosher, J.; Guy, J.; Kessler, R.; Astier, P.; Marriner, J.; Betoule, M.; Sako, M.; El-Hage, P.; Biswas, R.; Pain, R.; Kuhlmann, S.; Regnault, N.; Frieman, J. A.; Schneider, D. P.

    2014-08-29

    We use simulated type Ia supernova (SN Ia) samples, including both photometry and spectra, to perform the first direct validation of cosmology analysis using the SALT-II light curve model. This validation includes residuals from the light curve training process, systematic biases in SN Ia distance measurements, and a bias on the dark energy equation of state parameter w. Using the SN-analysis package SNANA, we simulate and analyze realistic samples corresponding to the data samples used in the SNLS3 analysis: ~120 low-redshift (z < 0.1) SNe Ia, ~255 Sloan Digital Sky Survey SNe Ia (z < 0.4), and ~290 SNLS SNe Ia (z ≤ 1). To probe systematic uncertainties in detail, we vary the input spectral model, the model of intrinsic scatter, and the smoothing (i.e., regularization) parameters used during the SALT-II model training. Using realistic intrinsic scatter models results in a slight bias in the ultraviolet portion of the trained SALT-II model, and w biases (w (input) – w (recovered)) ranging from –0.005 ± 0.012 to –0.024 ± 0.010. These biases are indistinguishable from each other within the uncertainty, the average bias on w is –0.014 ± 0.007.

  1. Cosmological parameter uncertainties from SALT-II type Ia supernova light curve models

    SciTech Connect

    Mosher, J.; Sako, M.; Guy, J.; Astier, P.; Betoule, M.; El-Hage, P.; Pain, R.; Regnault, N.; Marriner, J.; Biswas, R.; Kuhlmann, S.; Schneider, D. P.

    2014-09-20

    We use simulated type Ia supernova (SN Ia) samples, including both photometry and spectra, to perform the first direct validation of cosmology analysis using the SALT-II light curve model. This validation includes residuals from the light curve training process, systematic biases in SN Ia distance measurements, and a bias on the dark energy equation of state parameter w. Using the SN-analysis package SNANA, we simulate and analyze realistic samples corresponding to the data samples used in the SNLS3 analysis: ∼120 low-redshift (z < 0.1) SNe Ia, ∼255 Sloan Digital Sky Survey SNe Ia (z < 0.4), and ∼290 SNLS SNe Ia (z ≤ 1). To probe systematic uncertainties in detail, we vary the input spectral model, the model of intrinsic scatter, and the smoothing (i.e., regularization) parameters used during the SALT-II model training. Using realistic intrinsic scatter models results in a slight bias in the ultraviolet portion of the trained SALT-II model, and w biases (w {sub input} – w {sub recovered}) ranging from –0.005 ± 0.012 to –0.024 ± 0.010. These biases are indistinguishable from each other within the uncertainty; the average bias on w is –0.014 ± 0.007.

  2. Two Higgs doublet model of type II facing flavor physics data

    SciTech Connect

    Deschamps, Olivier; Monteil, Stephane; Niess, Valentin; Descotes-Genon, Sebastien; T'Jampens, Stephane; Tisserand, Vincent

    2010-10-01

    We discuss tests of the charged Higgs sector of the two Higgs doublet model (2HDM) of type II in the light of recent flavor physics data. Particular attention is paid to recent measurement of purely leptonic decays of heavy-light mesons, which depart more or less significantly from the standard model (SM) predictions. We derive constraints on the parameters of the 2HDM type II from leptonic and semileptonic {Delta}F=1 decays as well as loop processes (b{yields}s{gamma}, BB mixing, or Z{yields}bb) sensitive to charged Higgs contributions. The outcome of this work is that while 2HDM type II can fit the individual observable through fine-tuning schemes, in a combined analysis it does not perform better than the standard model by favoring a decoupling solution. Assuming that 2HDM type II is realized in nature, constraints on its parameters (m{sub H}{sup +} and tan{beta}) are derived. A limit on the charged Higgs mass m{sub H}{sup +}>316 GeV at 95% CL is obtained irrespective of the value of tan{beta}. This limit is dominated by the b{yields}s{gamma} branching ratio measurement. All results have been obtained with the CKMfitter analysis package, featuring the frequentist statistical approach Rfit to handle theoretical uncertainties.

  3. Statistics of SU(5) D-brane models on a type II orientifold

    SciTech Connect

    Gmeiner, Florian; Stein, Maren

    2006-06-15

    We perform a statistical analysis of models with SU(5) and flipped SU(5) gauge group in a type II orientifold setup. We investigate the distribution and correlation of properties of these models, including the number of generations and the hidden sector gauge group. Compared to the recent analysis [F. Gmeiner, R. Blumenhagen, G. Honecker, D. Luest, and T. Weigand, J. High Energy Phys. 01 (2006) 004; F. Gmeiner, Fortschr. Phys. 54, 391 (2006).] of models with a standard model-like gauge group, we find very similar results.

  4. Statistics of SU(5) D-brane models on a type II orientifold

    NASA Astrophysics Data System (ADS)

    Gmeiner, Florian; Stein, Maren

    2006-06-01

    We perform a statistical analysis of models with SU(5) and flipped SU(5) gauge group in a type II orientifold setup. We investigate the distribution and correlation of properties of these models, including the number of generations and the hidden sector gauge group. Compared to the recent analysis [F. Gmeiner, R. Blumenhagen, G. Honecker, D. Lüst, and T. Weigand, J. High Energy Phys.JHEPFG1029-8479 01 (2006) 004; F. Gmeiner, Fortschr. Phys.FPYKA60015-8208 54, 391 (2006).10.1088/1126-6708/2006/01/004] of models with a standard model-like gauge group, we find very similar results.

  5. Photochemical oxidation of coals and some selected model compounds by using copper(II) chloride

    SciTech Connect

    Yilmaz, M.

    1999-12-01

    The H-donor ability of different rank coals was examined by using a copper(II)chloride-acetonitrile system as the dehydrogenator. A bituminous coal and two lignites were irradiated in the UV in the presence of copper(II)chloride in acetonitrile. The coal was dehydrogenated while the Cu(II) was reduced to CU(I). Considerable amounts of aliphatic or alicyclic hydrogen were removed from the coals. In the process, while the oxygen contents of coals do not increase, more condensed aromatic products occur. It was concluded that lignites are better reducing agents than bituminous coals. A photooxidation mechanism is proposed on the basis of the model compound reaction. Photooxidation of alcohols (ethanol, 2-propanol, benzyl alcohol, 4-hydroxybenzyl alcohol, and diphenyl carbinol), a hydroaromatic compound (tetrahydronaphthalene), and an aromatic ether (dibenzyl ether) was performed under similar reaction conditions.

  6. Controlling FAMA by the Ptolemy II model of ion beam transport

    NASA Astrophysics Data System (ADS)

    Balvanović, R.; Rađenović, B.; Beličev, P.; Nešković, N.

    2009-08-01

    FAMA is a facility for modification and analysis of materials with ion beams. Due to the wide range of ion beams and energies used in the facility and its future expansion, the need has arisen for faster tuning of ion beams transport control parameters. With this aim, a new approach to modeling ion-beam transport system was developed, based on the Ptolemy II modeling and design framework. A model in Ptolemy II is a hierarchical aggregation of components called actors, which communicate with other actors using tokens, or pieces of data. Each ion optical element is modeled by a composite actor implementing beam matrix transformation function, while tokens carry beam matrix data. A basic library of models of typical ion optical elements is developed, and a complex model of FAMA ion beam transport system is hierarchically integrated with bottom-up approach. The model is extended to include control functions. The developed model is modular, flexible and extensible. The results obtained by simulation on the model demonstrate easy and efficient tuning of beam line control parameters. Fine tuning of control parameters, due to uncertainties inherent to modeling, still has to be performed on-line.

  7. Development and comparison of a TOPAZ-II system model with experimental data

    SciTech Connect

    Paramonov, D.V.; El-Genk, M.S. . Inst. for Space Nuclear Power Studies)

    1994-11-01

    An integrated model of the TOPAZ-II space nuclear reactor system is developed and compared with measurements from the TOPAZ-II, V-71 unit tests. For a given reactor thermal power, the model calculates the coolant flow rate, temperature, and pressure throughout the system; load electric power; and overall system efficiency. Model predictions showed good agreement with the experimental data. The calculated coolant temperatures and pressure are within 15 K (< 2%) and 12% of the measurements, respectively. Analysis showed that at the nominal operating thermal power of the system (115 kW), and NaK coolant is highly subcooled. The largest subcooling of 365 K occurs at the exit of the electromagnetic pump, where coolant pressure is highest, and the lowest subcooling of 275 K occurs at the exit of the reactor core, where coolant temperature is highest.

  8. Comparing Geant4 hadronic models for the WENDI-II rem meter response function.

    PubMed

    Vanaudenhove, T; Dubus, A; Pauly, N

    2013-01-01

    The WENDI-II rem meter is one of the most popular neutron dosemeters used to assess a useful quantity of radiation protection, namely the ambient dose equivalent. This is due to its high sensitivity and its energy response that approximately follows the conversion function between neutron fluence and ambient dose equivalent in the range of thermal to 5 GeV. The simulation of the WENDI-II response function with the Geant4 toolkit is then perfectly suited to compare low- and high-energy hadronic models provided by this Monte Carlo code. The results showed that the thermal treatment of hydrogen in polyethylene for neutron <4 eV has a great influence over the whole detector range. Above 19 MeV, both Bertini Cascade and Binary Cascade models show a good correlation with the results found in the literature, while low-energy parameterised models are not suitable for this application. PMID:22972796

  9. Schizosaccharomyces pombe and its Ni(II)-insensitive mutant GA1 in Ni(II) uptake from aqueous solutions: a biodynamic model.

    PubMed

    Sayar, Nihat Alpagu; Durmaz-Sam, Selcen; Kazan, Dilek; Sayar, Ahmet Alp

    2014-08-01

    In the present study, Ni(II) uptake from aqueous solution by living cells of the Schizosaccharomyces pombe haploid 972 with h (-) mating type and a Ni(II)-insensitive mutant GA1 derived from 972 was investigated at various initial glucose and Ni(II) concentrations. A biodynamic model was developed to predict the unsteady and steady-state phases of the uptake process. Gompertz growth and uptake process parameters were optimized to predict the maximum growth rate μ m and the process metric C r, the remaining Ni(II) content in the aqueous solution. The simulated overall metal uptake values were found to be in acceptable agreement with experimental results. The model validation was done through regression statistics and uncertainty and sensitivity analyses. To gain insight into the phenomenon of Ni(II) uptake by wild-type and mutant S. pombe, probable active and passive metal transport mechanisms in yeast cells were discussed in view of the simulation results. The present work revealed the potential of mutant GA1 to remove Ni(II) cations from aqueous media. The results obtained provided new insights for understanding the combined effect of biosorption and bioaccumulation processes for metal removal and offered a possibility for the use of growing mutant S. pombe cell in bioremediation. PMID:24752843

  10. Mn(II) and Cu(II) complexes of a bidentate Schiff's base ligand: Spectral, thermal, molecular modelling and mycological studies

    NASA Astrophysics Data System (ADS)

    Tyagi, Monika; Chandra, Sulekh; Tyagi, Prateek

    2014-01-01

    Complexes of manganese(II) and copper(II) of general composition M(L)2X2 have been synthesized [L = 2-acetyl thiophene thiosemicarbazone and X = Cl- and NO3-]. The elemental analysis, molar conductance measurements, magnetic susceptibility measurements, mass, IR, UV, NMR and EPR spectral studies of the compounds led to the conclusion that the ligand acts as a bidentate manner. The Schiff's base ligand forms hexacoordinated complexes having octahedral geometry for Mn(II) and tetragonal geometry for Cu(II) complexes. The thermal studies suggested that the complexes are more stable as compared to ligand. In molecular modelling the geometries of Schiff's base and metal complexes were fully optimized with respect to the energy using the 6-31g(d,p) basis set. The mycological studies of the compounds were examined against the plant pathogenic fungi i.e. Rhizoctonia bataticola, Macrophomina phaseolina, Fusarium odum.

  11. Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery

    NASA Astrophysics Data System (ADS)

    Surasani, V.; Li, L.

    2011-12-01

    Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.

  12. Chronic resveratrol reverses a mild angiotensin II-induced pressor effect in a rat model.

    PubMed

    Gordish, Kevin L; Beierwaltes, William H

    2016-01-01

    Resveratrol is reported to reduce blood pressure in animal models of hypertension, but the mechanisms are unknown. We have shown that resveratrol infusion increases sodium excretion. We hypothesized that chronic ingestion of resveratrol would reduce angiotensin II (Ang II)-induced increases in blood pressure by decreasing oxidative stress and by also decreasing sodium reabsorption through a nitric oxide-dependent mechanism. We infused rats with vehicle or 80 μg Ang II/d over 4 weeks. Vehicle or Ang II-infused rats were individually housed, pair fed, and placed on a diet of normal chow or normal chow plus 146 mg resveratrol/d. Groups included 1) control, 2) resveratrol-fed, 3) Ang II-treated, and 4) Ang II plus resveratrol. Systolic blood pressure was measured by tail cuff. During the 4th week, rats were placed in metabolic caging for urine collection. NO2/NO3 and 8-isoprostane excretion were measured. Ang II increased systolic blood pressure in the 1st week by +14±5 mmHg (P<0.05) in Group 3 and +10±3 mmHg (P<0.05) in Group 4, respectively. Blood pressure was unchanged in Groups 1 and 2. After 4 weeks, blood pressure remained elevated in Group 3 rats with Ang II (+9±3 mmHg, P<0.05), but in Group 4, blood pressure was no longer elevated (+2±2 mmHg). We found no significant differences between the groups in sodium excretion or cumulative sodium balance (18.49±0.12, 17.75±0.16, 17.97±0.17, 18.46±0.18 μEq Na+/7 d in Groups 1-4, respectively). Urinary excretion of NO2/NO3 in the four groups was 1) 1631±207 μmol/24 h, 2) 1045±236 μmol/24 h, 3) 1490±161 μmol/24 h, and 4) 609±17 μmol/24 h. 8-Isoprostane excretion was 1) 63.85±19.39 nmol/24 h, 2) 73.57±22.02 nmol/24 h, 3) 100.69±37.62 nmol/24 h, and 4) 103.00±38.88 nmol/24 h. We conclude that chronic resveratrol supplementation does not blunt Ang II-increased blood pressure, and while resveratrol has mild depressor effects, these do not seem to be due to natriuresis or enhanced renal nitric oxide

  13. Chronic resveratrol reverses a mild angiotensin II-induced pressor effect in a rat model

    PubMed Central

    Gordish, Kevin L; Beierwaltes, William H

    2016-01-01

    Resveratrol is reported to reduce blood pressure in animal models of hypertension, but the mechanisms are unknown. We have shown that resveratrol infusion increases sodium excretion. We hypothesized that chronic ingestion of resveratrol would reduce angiotensin II (Ang II)-induced increases in blood pressure by decreasing oxidative stress and by also decreasing sodium reabsorption through a nitric oxide-dependent mechanism. We infused rats with vehicle or 80 μg Ang II/d over 4 weeks. Vehicle or Ang II-infused rats were individually housed, pair fed, and placed on a diet of normal chow or normal chow plus 146 mg resveratrol/d. Groups included 1) control, 2) resveratrol-fed, 3) Ang II-treated, and 4) Ang II plus resveratrol. Systolic blood pressure was measured by tail cuff. During the 4th week, rats were placed in metabolic caging for urine collection. NO2/NO3 and 8-isoprostane excretion were measured. Ang II increased systolic blood pressure in the 1st week by +14±5 mmHg (P<0.05) in Group 3 and +10±3 mmHg (P<0.05) in Group 4, respectively. Blood pressure was unchanged in Groups 1 and 2. After 4 weeks, blood pressure remained elevated in Group 3 rats with Ang II (+9±3 mmHg, P<0.05), but in Group 4, blood pressure was no longer elevated (+2±2 mmHg). We found no significant differences between the groups in sodium excretion or cumulative sodium balance (18.49±0.12, 17.75±0.16, 17.97±0.17, 18.46±0.18 μEq Na+/7 d in Groups 1–4, respectively). Urinary excretion of NO2/NO3 in the four groups was 1) 1631±207 μmol/24 h, 2) 1045±236 μmol/24 h, 3) 1490±161 μmol/24 h, and 4) 609±17 μmol/24 h. 8-Isoprostane excretion was 1) 63.85±19.39 nmol/24 h, 2) 73.57±22.02 nmol/24 h, 3) 100.69±37.62 nmol/24 h, and 4) 103.00±38.88 nmol/24 h. We conclude that chronic resveratrol supplementation does not blunt Ang II-increased blood pressure, and while resveratrol has mild depressor effects, these do not seem to be due to natriuresis or enhanced renal nitric oxide

  14. Comparison of MRI signatures in pattern I and II multiple sclerosis models.

    PubMed

    Serres, Sébastien; Anthony, Daniel C; Jiang, Yanyan; Campbell, Sandra J; Broom, Kerry A; Khrapitchev, Alexandre; Sibson, Nicola R

    2009-12-01

    The majority of individuals with multiple sclerosis (MS) exhibit T-cell- and macrophage-dominated lesions (patterns I and II; as opposed to III and IV). These lesions, in turn, may be distinguished on the basis of whether or not there are immunoglobulin and complement depositions at the sites of active myelin destruction; such depositions are found exclusively in pattern II lesions. The main aim of this study was to determine whether pattern I and pattern II MS lesions exhibit distinct MRI signatures. We have used a recently described focal MOG-induced EAE model of the rat brain, which recapitulates many of the hallmarks of pattern II MS; we compared this with our previous work in a delayed type hypersensitivity model of a pattern I type lesion in the rat brain. Demyelinating lesions with extensive inflammation were generated, in which the T2-weighted signal was increased. Magnetisation transfer ratio (MTR) maps revealed loss and subsequent incomplete recovery of the structure of the corpus callosum, together with changes in tissue water diffusion and an associated increase in ventricle size. Notably, the MTR changes preceeded histological demyelination and may report on the processes leading to demyelination, rather than demyelination per se. Immunohistochemically, these MRI-detectable signal changes correlated with both inflammatory cell infiltration and later loss of myelin. Breakdown of the blood-brain barrier and an increase in the regional cerebral blood volume were also evident in and around the lesion site at the early stage of the disease. Interestingly, however, the MRI signal changes in this pattern II type MS lesion were remarkably consistent with those previously observed in a pattern I lesion. These findings suggest that the observed signal changes reflect the convergent histopathology of the two models rather than the underlying mechanisms of the disease. PMID:19489017

  15. Seizure modeling of Pb(II) and Cd(II) from aqueous solution by chemically modified sugarcane bagasse fly ash: isotherms, kinetics, and column study.

    PubMed

    Shah, Bhavna; Mistry, Chirag; Shah, Ajay

    2013-04-01

    Heavy metal pollution is a common environmental problem all over the world. The purpose of the research is to examine the applicability of bagasse fly ash (BFA)-an agricultural waste of sugar industry used for the synthesis of zeolitic material. The zeolitic material are used for the uptake of Pb(II) and Cd(II) heavy metal. Bagasse fly ash is used as a native material for the synthesis of zeolitic materials by conventional hydrothermal treatment without (conventional zeolitic bagasse fly ash (CZBFA)) and with electrolyte (conventional zeolitic bagasse fly ash in electrolyte media (ECZBFA)) media. Heavy metal ions Pb(II) and Cd(II) were successfully seized from aqueous media using these synthesized zeolitic materials. In this study, the zeolitic materials were well characterized by different instrumental methods such as Brunauer-Emmett-Teller, XRF, Fourier transform infrared spectroscopy, powder X-ray diffraction, and scanning electron microscopic microphotographs. The presence of analcime, phillipsite, and zeolite P in adsorbents confirms successful conversion of native BFA into zeolitic materials. Seizure modeling of Pb(II) and Cd(II) was achieved by batch sorption experiments, isotherms, and kinetic studies. These data were used to compare and evaluate the zeolitic materials as potential sorbents for the uptake of heavy metal ions from an aqueous media. The Langmuir isotherm correlation coefficient parameters best fit the equilibrium data which indicate the physical sorption. Pseudo-second-order and intra-particle diffusion model matches best which indicates that the rate of sorption was controlled by film diffusion. The column studies were performed for the practical function of sorbents, and breakthrough curves were obtained, which revealed higher sorption capacity as compared to batch method. Synthesized zeolitic material (CZBFA and ECZBFA), a low-cost sorbent, was proven as potential sorbent for the uptake of Pb(II) and Cd(II) heavy metal ions. PMID:22739768

  16. Constructing kinetic models to elucidate structural dynamics of a complete RNA polymerase II elongation cycle

    NASA Astrophysics Data System (ADS)

    Yu, Jin; Da, Lin-Tai; Huang, Xuhui

    2015-02-01

    The RNA polymerase II elongation is central in eukaryotic transcription. Although multiple intermediates of the elongation complex have been identified, the dynamical mechanisms remain elusive or controversial. Here we build a structure-based kinetic model of a full elongation cycle of polymerase II, taking into account transition rates and conformational changes characterized from both single molecule experimental studies and computational simulations at atomistic scale. Our model suggests a force-dependent slow transition detected in the single molecule experiments corresponds to an essential conformational change of a trigger loop (TL) opening prior to the polymerase translocation. The analyses on mutant study of E1103G and on potential sequence effects of the translocation substantiate this proposal. Our model also investigates another slow transition detected in the transcription elongation cycle which is independent of mechanical force. If this force-independent slow transition happens as the TL gradually closes upon NTP binding, the analyses indicate that the binding affinity of NTP to the polymerase has to be sufficiently high. Otherwise, one infers that the slow transition happens pre-catalytically but after the TL closing. Accordingly, accurate determination of intrinsic properties of NTP binding is demanded for an improved characterization of the polymerase elongation. Overall, the study provides a working model of the polymerase II elongation under a generic Brownian ratchet mechanism, with most essential structural transition and functional kinetics elucidated.

  17. Structural Model of RNA Polymerase II Elongation Complex with Complete Transcription Bubble Reveals NTP Entry Routes

    PubMed Central

    Zhang, Lu; Silva, Daniel-Adriano; Pardo-Avila, Fátima; Wang, Dong; Huang, Xuhui

    2015-01-01

    The RNA polymerase II (Pol II) is a eukaryotic enzyme that catalyzes the synthesis of the messenger RNA using a DNA template. Despite numerous biochemical and biophysical studies, it remains elusive whether the “secondary channel” is the only route for NTP to reach the active site of the enzyme or if the “main channel” could be an alternative. On this regard, crystallographic structures of Pol II have been extremely useful to understand the structural basis of transcription, however, the conformation of the unpaired non-template DNA part of the full transcription bubble (TB) is still unknown. Since diffusion routes of the nucleoside triphosphate (NTP) substrate through the main channel might overlap with the TB region, gaining structural information of the full TB is critical for a complete understanding of Pol II transcription process. In this study, we have built a structural model of Pol II with a complete transcription bubble based on multiple sources of existing structural data and used Molecular Dynamics (MD) simulations together with structural analysis to shed light on NTP entry pathways. Interestingly, we found that although both channels have enough space to allow NTP loading, the percentage of MD conformations containing enough space for NTP loading through the secondary channel is twice higher than that of the main channel. Further energetic study based on MD simulations with NTP loaded in the channels has revealed that the diffusion of the NTP through the main channel is greatly disfavored by electrostatic repulsion between the NTP and the highly negatively charged backbones of nucleotides in the non-template DNA strand. Taken together, our results suggest that the secondary channel is the major route for NTP entry during Pol II transcription. PMID:26134169

  18. SAGE II aerosol data validation based on retrieved aerosol model size distribution from SAGE II aerosol measurements

    NASA Technical Reports Server (NTRS)

    Wang, Pi-Huan; Mccormick, M. P.; Mcmaster, L. R.; Chu, W. P.; Swissler, T. J.; Osborn, M. T.; Russell, P. B.; Oberbeck, V. R.; Livingston, J.; Rosen, J. M.

    1989-01-01

    Consideration is given to aerosol correlative measurements experiments for the Stratospheric Aerosol and Gas Experiment (SAGE) II, conducted between November 1984 and July 1986. The correlative measurements were taken with an impactor/laser probe, a dustsonde, and an airborne 36-cm lidar system. The primary aerosol quantities measured by the ground-based instruments are compared with those calculated from the aerosol size distributions from SAGE II aerosol extinction measurements. Good agreement is found between the two sets of measurements.

  19. Relaxin Treatment in an Ang-II-Based Transgenic Preeclamptic-Rat Model

    PubMed Central

    Haase, Nadine; Golic, Michaela; Herse, Florian; Rugor, Julianna; Linz, Dominik; Solano, Maria Emilia; Müller, Dominik N.; Dechend, Ralf

    2016-01-01

    Relaxin is a peptide related to pregnancy that induces nitric oxide-related and gelatinase-related effects, allowing vasodilation and pregnancy-related adjustments permitting parturition to occur. Relaxin controls the hemodynamic and renovascular adaptive changes that occur during pregnancy. Interest has evolved regarding relaxin and a therapeutic principle in preeclampsia and heart failure. Preeclampsia is a pregnancy disorder, featuring hypertension, proteinuria and placental anomalies. We investigated relaxin in an established transgenic rat model of preeclampsia, where the phenotype is induced by angiotensin (Ang)-II production in mid pregnancy. We gave recombinant relaxin to preeclamtic rats at day 9 of gestation. Hypertension and proteinuria was not ameliorated after relaxin administration. Intrauterine growth retardation of the fetus was unaltered by relaxin. Heart-rate responses and relaxin levels documented drug effects. In this Ang-II-based model of preeclampsia, we could not show a salubrious effect on preeclampsia. PMID:26963382

  20. Relaxin Treatment in an Ang-II-Based Transgenic Preeclamptic-Rat Model.

    PubMed

    Haase, Nadine; Golic, Michaela; Herse, Florian; Rugor, Julianna; Linz, Dominik; Solano, Maria Emilia; Müller, Dominik N; Dechend, Ralf

    2016-01-01

    Relaxin is a peptide related to pregnancy that induces nitric oxide-related and gelatinase-related effects, allowing vasodilation and pregnancy-related adjustments permitting parturition to occur. Relaxin controls the hemodynamic and renovascular adaptive changes that occur during pregnancy. Interest has evolved regarding relaxin and a therapeutic principle in preeclampsia and heart failure. Preeclampsia is a pregnancy disorder, featuring hypertension, proteinuria and placental anomalies. We investigated relaxin in an established transgenic rat model of preeclampsia, where the phenotype is induced by angiotensin (Ang)-II production in mid pregnancy. We gave recombinant relaxin to preeclamtic rats at day 9 of gestation. Hypertension and proteinuria was not ameliorated after relaxin administration. Intrauterine growth retardation of the fetus was unaltered by relaxin. Heart-rate responses and relaxin levels documented drug effects. In this Ang-II-based model of preeclampsia, we could not show a salubrious effect on preeclampsia. PMID:26963382

  1. Angiotensin II induces skin fibrosis: a novel mouse model of dermal fibrosis

    PubMed Central

    2012-01-01

    inflammation and fibrosis in the skin via MCP1 upregulation and accumulation of activated fibroblasts. Additionally, our data suggest that populations of these fibroblasts originate from circulating blood cells. Ang II infusion via osmotic minipumps could serve as a useful mouse model of skin fibrosis to gain new insights into pathogenic mechanisms and to test new antifibrotic therapies. PMID:22913887

  2. Detailed p- and s-wave velocity models along the LARSE II transect, Southern California

    USGS Publications Warehouse

    Murphy, J.M.; Fuis, G.S.; Ryberg, T.; Lutter, W.J.; Catchings, R.D.; Goldman, M.R.

    2010-01-01

    Structural details of the crust determined from P-wave velocity models can be improved with S-wave velocity models, and S-wave velocities are needed for model-based predictions of strong ground motion in southern California. We picked P- and S-wave travel times for refracted phases from explosive-source shots of the Los Angeles Region Seismic Experiment, Phase II (LARSE II); we developed refraction velocity models from these picks using two different inversion algorithms. For each inversion technique, we calculated ratios of P- to S-wave velocities (VP/VS) where there is coincident P- and S-wave ray coverage.We compare the two VP inverse velocity models to each other and to results from forward modeling, and we compare the VS inverse models. The VS and VP/VS models differ in structural details from the VP models. In particular, dipping, tabular zones of low VS, or high VP/VS, appear to define two fault zones in the central Transverse Ranges that could be parts of a positive flower structure to the San Andreas fault. These two zones are marginally resolved, but their presence in two independent models lends them some credibility. A plot of VS versus VP differs from recently published plots that are based on direct laboratory or down-hole sonic measurements. The difference in plots is most prominent in the range of VP = 3 to 5 km=s (or VS ~ 1:25 to 2:9 km/s), where our refraction VS is lower by a few tenths of a kilometer per second from VS based on direct measurements. Our new VS - VP curve may be useful for modeling the lower limit of VS from a VP model in calculating strong motions from scenario earthquakes.

  3. System modelling to support accelerated fuel transfer rate at EBR-II

    SciTech Connect

    Imel, G.R.; Houshyar, A.; Planchon, H.P.; Cutforth, D.C.

    1995-06-01

    The Experimental Breeder Reactor-II (EBR-II) ia a 62.5 MW(th) liquid metal reactor operated by Argonne National Laboratory for The United States Department of Energy. The reactor is located near Idaho Falls, Idaho at the Argonne-West site (ANL-W). Full power operation was achieved in 1964,- the reactor operated continuously since that time until October 1994 in a variety of configurations depending on the programmatic mission. A three year program was initiated in October, 1993 to replace the 330 depleted uranium blanket subassemblies (S/As) with stainless steel reflectors. It was intended to operate the reactor during the three year blanket unloading program, followed by about a half year of driver fuel unloading. However, in the summer of 1994, Congress dictacted that EBR-II be shut down October 1, and complete defueling without operation. To assist in the planning for resources needed for this defueling campaign, a mathematical model of the fuel handling sequence was developed utilizing the appropriate reliability factors and inherent mm constraints of each stage of the process. The model allows predictions of transfer rates under different scenarios. Additionally, it has facilitated planning of maintenance activities, as well as optimization of resources regarding manpower and modification effort. The model and its application is described in this paper.

  4. Neutrinoless double beta decay in type I+II seesaw models

    NASA Astrophysics Data System (ADS)

    Borah, Debasish; Dasgupta, Arnab

    2015-11-01

    We study neutrinoless double beta decay in left-right symmetric extension of the standard model with type I and type II seesaw origin of neutrino masses. Due to the enhanced gauge symmetry as well as extended scalar sector, there are several new physics sources of neutrinoless double beta decay in this model. Ignoring the left-right gauge boson mixing and heavy-light neutrino mixing, we first compute the contributions to neutrinoless double beta decay for type I and type II dominant seesaw separately and compare with the standard light neutrino contributions. We then repeat the exercise by considering the presence of both type I and type II seesaw, having non-negligible contributions to light neutrino masses and show the difference in results from individual seesaw cases. Assuming the new gauge bosons and scalars to be around a TeV, we constrain different parameters of the model including both heavy and light neutrino masses from the requirement of keeping the new physics contribution to neutrinoless double beta decay amplitude below the upper limit set by the GERDA experiment and also satisfying bounds from lepton flavor violation, cosmology and colliders.

  5. The XAS model of dissolved Cu(II) and its significance to biological electron transfer

    NASA Astrophysics Data System (ADS)

    Frank, Patrick; Benfatto, Maurizio; Hedman, Britt; Hodgson, Keith O.

    2009-11-01

    The standard model for dissolved Cu(II) portrays the complex ion as an axially elongated, equatorially planar octahedron. Using EXAFS and MXAN analyses of copper K-edge XAS spectra, new structural models for dissolved [Cu(aq)]2+ and [Cu(amm)]2+ have been determined. These structures uniformly depart from the octahedral model in favour of an axially elongated square pyramidal core. MXAN results also indicate that the equatorial ligands need not be coplanar with copper. Further structural elements include a -z axially localized scatterer at ~3 Å. Even more distant scatterers imply second shell solvent organization, which can vary with the medium. Preliminary results from new extended, k = 18 Å-1, higher resolution copper K-edge XAS data sets are reported. The low symmetry of dissolved Cu(II) ion contradicts the central thesis of the rack-induced bonding hypothesis of copper electron transfer proteins. The asymmetry of biological copper is not a frozen vibronic excited state enforced by a rigid protein scaffold, but is entirely in harmony with the structural ground state of the dissolved aqueous Cu(II) complex ion.

  6. Modeling of G333.6-0.2 as a spherical H II region

    NASA Technical Reports Server (NTRS)

    Rubin, R. H.; Hollenbach, D. J.; Erickson, E. F.

    1983-01-01

    The radio and IR observations of the H II region G333.6-0.2 are matched with a detailed spherical model with a density distribution which has a uniform-density core of radius 0.05 pc, a power-law intermediate zone, and a uniform-density halo. A stellar radiation field is required that is somewhat different from those predicted by available model atmospheres. Of the stellar models of Kurucz, the Teff = 34,000 K and log g = 3.5 model best fits the observed ratio of helium to hydrogen recombination lines. A good fit to all the observations in obtained with an S(2+) ionizing flux which is a factor of 20 times less than predicted by the Kurucz atmosphere. Current model atmospheres may not be appropriate because a single stable star with Teff = 34,000 K fails by at least an order of magnitude to produce the ionizing luminosity. The small radius of the constant-density core implies a short dynamical lifetime of approximately 5000 years for this spherical model; this may indicate that a nonspherical blister geometry is more appropriate for this H II region.

  7. Synthesis, characterization, biological activity, molecular modeling and docking studies of complexes 4-(4-hydroxy)-3-(2-pyrazine-2-carbonyl)hydrazonomethylphenyl-diazen-yl-benzenesulfonamide with manganese(II), cobalt(II), nickel(II), zinc(II) and cadmium(II)

    NASA Astrophysics Data System (ADS)

    Alaghaz, Abdel-Nasser M. A.; Zayed, Mohamed E.; Alharbi, Suliman A.; Ammar, Reda A. A.; Elhenawy, Ahmed

    2015-03-01

    A new series of complexes of 4-(4-hydroxy)-3-(2-pyrazine-2-carbonyl)hydrazonomethylphenyl-diazen-yl-benzenesulfonamide (HL) with Mn(II), Co(II), Ni(II), Zn(II) and Cd(II) have been prepared and characterized by different physical techniques. The IR spectra of the prepared complexes were suggested that the ligand behaves as a tri-dentate ligand through the carbonyl oxygen, azomethine nitrogen and phenolic oxygen atoms (ONO). Electronic spectra and magnetic susceptibility measurements reveal octahedral geometry for all complexes. The elemental analyses and mass spectral data have justified the ML2 composition of complexes. The EPR spectra of Mn(II), Co(II) and Ni(II) complexes support the mononuclear structure. The crystal field splitting, Racah repulsion and nephelauxetic parameters and determined from the electronic spectra of the complexes. Thermal properties and decomposition kinetics of all complexes are investigated. The geometry of the metal complexes has been optimized with the help of molecular modeling. The biological activity of these compounds against various fungi has been investigated.

  8. SAGE II aerosol data validation based on retrieved aerosol model size distribution from SAGE II aerosol measurements.

    PubMed

    Wang, P H; McCormick, M P; McMaster, L R; Chu, W P; Swissler, T J; Osborn, M T; Russell, P B; Oberbeck, V R; Livingston, J; Rosen, J M; Hofmann, D J; Grams, G W; Fuller, W H; Yue, G K

    1989-06-20

    This paper describes an investigation of the comprehensive aerosol correlative measurement experiments conducted between November 1984 and July 1986 for satellite measurement program of the Stratospheric Aerosol and Gas Experiment (SAGE II). The correlative sensors involved in the experiments consist of the NASA Ames Research Center impactor/laser probe, the University of Wyoming dustsonde, and the NASA Langley Research Center airborne 14-inch (36 cm) lidar system. The approach of the analysis is to compare the primary aerosol quantities measured by the ground-based instruments with the calculated ones based on the aerosol size distributions retrieved from the SAGE II aerosol extinction measurements. The analysis shows that the aerosol size distributions derived from the SAGE II observations agree qualitatively with the in situ measurements made by the impactor/laser probe. The SAGE II-derived vertical distributions of the ratio N0.15/N0.25 (where Nr is the cumulative aerosol concentration for particle radii greater than r, in micrometers) and the aerosol backscatter profiles at 0.532- and 0.6943-micrometer lidar wavelengths are shown to agree with the dustsonde and the 14-inch (36-cm) lidar observations, with the differences being within the respective uncertainties of the SAGE II and the other instruments. PMID:11539801

  9. Transient PVT measurements and model predictions for vessel heat transfer. Part II.

    SciTech Connect

    Felver, Todd G.; Paradiso, Nicholas Joseph; Winters, William S., Jr.; Evans, Gregory Herbert; Rice, Steven F.

    2010-07-01

    Part I of this report focused on the acquisition and presentation of transient PVT data sets that can be used to validate gas transfer models. Here in Part II we focus primarily on describing models and validating these models using the data sets. Our models are intended to describe the high speed transport of compressible gases in arbitrary arrangements of vessels, tubing, valving and flow branches. Our models fall into three categories: (1) network flow models in which flow paths are modeled as one-dimensional flow and vessels are modeled as single control volumes, (2) CFD (Computational Fluid Dynamics) models in which flow in and between vessels is modeled in three dimensions and (3) coupled network/CFD models in which vessels are modeled using CFD and flows between vessels are modeled using a network flow code. In our work we utilized NETFLOW as our network flow code and FUEGO for our CFD code. Since network flow models lack three-dimensional resolution, correlations for heat transfer and tube frictional pressure drop are required to resolve important physics not being captured by the model. Here we describe how vessel heat transfer correlations were improved using the data and present direct model-data comparisons for all tests documented in Part I. Our results show that our network flow models have been substantially improved. The CFD modeling presented here describes the complex nature of vessel heat transfer and for the first time demonstrates that flow and heat transfer in vessels can be modeled directly without the need for correlations.

  10. Comparative modeling of the three-dimensional structure of type II antifreeze protein.

    PubMed Central

    Sönnichsen, F. D.; Sykes, B. D.; Davies, P. L.

    1995-01-01

    Type II antifreeze proteins (AFP), which inhibit the growth of seed ice crystals in the blood of certain fishes (sea raven, herring, and smelt), are the largest known fish AFPs and the only class for which detailed structural information is not yet available. However, a sequence homology has been recognized between these proteins and the carbohydrate recognition domain of C-type lectins. The structure of this domain from rat mannose-binding protein (MBP-A) has been solved by X-ray crystallography (Weis WI, Drickamer K, Hendrickson WA, 1992, Nature 360:127-134) and provided the coordinates for constructing the three-dimensional model of the 129-amino acid Type II AFP from sea raven, to which it shows 19% sequence identity. Multiple sequence alignments between Type II AFPs, pancreatic stone protein, MBP-A, and as many as 50 carbohydrate-recognition domain sequences from various lectins were performed to determine reliably aligned sequence regions. Successive molecular dynamics and energy minimization calculations were used to relax bond lengths and angles and to identify flexible regions. The derived structure contains two alpha-helices, two beta-sheets, and a high proportion of amino acids in loops and turns. The model is in good agreement with preliminary NMR spectroscopic analyses. It explains the observed differences in calcium binding between sea raven Type II AFP and MBP-A. Furthermore, the model proposes the formation of five disulfide bridges between Cys 7 and Cys 18, Cys 35 and Cys 125, Cys 69 and Cys 100, Cys 89 and Cys 111, and Cys 101 and Cys 117.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7540906

  11. Compartmental models: theory and practice using the SAAM II software system.

    PubMed

    Cobelli, C; Foster, D M

    1998-01-01

    Understanding in vivo the functioning of metabolic systems at the whole-body or regional level requires one to make some assumptions on how the system works and to describe them mathematically, that is, to postulate a model of the system. Models of systems can have different characteristics depending on the properties of the system and the database available for their study; they can be deterministic or stochastic, dynamic or static, with lumped or distributed parameters. Metabolic systems are dynamic systems and we focus here on the most widely used class of dynamic (differential equation) models: compartmental models. This is a class of models for which the governing law is conservation of mass. It is a very attractive class to users because it formalizes physical intuition in a simple and reasonable way. Compartmental models are lumped parameter models, in that the events in the system are described by a finite number of changing variables, and are thus described by ordinary differential equations. While stochastic compartment models can also be defined, we discuss here the deterministic versions--those that can work with exact relationships between model variables. These are the models most widely used in discussions of endocrinology and metabolism. In this chapter, we will discuss the theory of compartmental models, and then discuss how the SAAM II software system, a system designed specifically to aid in the development and testing of multicompartmental models, can be used. PMID:9781383

  12. Saturation magnetization of Ni(II) in metalloproteins and model compounds

    SciTech Connect

    Sendova, M.; Day, E.P.; Kiick, K.; Johnson, M.; Ma, L.; Scott, B.; Hausinger, R.; Todd, M.; Peterson, J. Univ. of Georgia, Athens Michigan State Univ., East Lansing Univ. of Alabama, Tuscaloosa )

    1992-01-01

    The Ni(II) sites of urease (from Klebsiella aerogenes and jack bean), coenzyme F[sub 430] (from Methanobacterium thermoautotrophicum), and several model compounds having octahedral symmetry have been studied using the saturation megnetization technique. Data were collected at four fixed fields over the temperature range from 2 - 200K. Theoretical curves calculated from the spin Hamiltonian were used to fit the experimentally obtained magnetization curves. The following parameters were determined: the spine state (S), the amount of the sample in this spin state ([S]), the gyromagnetic ratio (g), and the zero field splitting parameters (D, E/D). The amount of S=1 paramagnetism of the Ni(II) sites was found to depend on the pH of the buffer and on the concentration of the protein in D[sub 2]O (for coenzyme F[sub 430]). The relationship of the strength of the ligand field to the zero field splitting parameter was studied for the model compounds. There was no evidence for exchange coupling between the two Ni(II) ions at the active sites of either plant or bacterial urease.

  13. Development of nonfibrotic left ventricular hypertrophy in an ANG II-induced chronic ovine hypertension model.

    PubMed

    Klatt, Niklas; Scherschel, Katharina; Schad, Claudia; Lau, Denise; Reitmeier, Aline; Kuklik, Pawel; Muellerleile, Kai; Yamamura, Jin; Zeller, Tanja; Steven, Daniel; Baldus, Stephan; Schäffer, Benjamin; Jungen, Christiane; Eickholt, Christian; Wassilew, Katharina; Schwedhelm, Edzard; Willems, Stephan; Meyer, Christian

    2016-09-01

    Hypertension is a major risk factor for many cardiovascular diseases and leads to subsequent concomitant pathologies such as left ventricular hypertrophy (LVH). Translational approaches using large animals get more important as they allow the use of standard clinical procedures in an experimental setting. Therefore, the aim of this study was to establish a minimally invasive ovine hypertension model using chronic angiotensin II (ANG II) treatment and to characterize its effects on cardiac remodeling after 8 weeks. Sheep were implanted with osmotic minipumps filled with either vehicle control (n = 7) or ANG II (n = 9) for 8 weeks. Mean arterial blood pressure in the ANG II-treated group increased from 87.4 ± 5.3 to 111.8 ± 6.9 mmHg (P = 0.00013). Cardiovascular magnetic resonance imaging showed an increase in left ventricular mass from 112 ± 12.6 g to 131 ± 18.7 g after 7 weeks (P = 0.0017). This was confirmed by postmortem measurement of left ventricular wall thickness which was higher in ANG II-treated animals compared to the control group (18 ± 4 mm vs. 13 ± 2 mm, respectively, P = 0.002). However, ANG II-treated sheep did not reveal any signs of fibrosis or inflammatory infiltrates as defined by picrosirius red and H&E staining on myocardial full thickness paraffin sections of both atria and ventricles. Measurements of plasma high-sensitivity C-reactive protein and urinary 8-iso-prostaglandin F2α were inconspicuous in all animals. Furthermore, multielectrode surface mapping of the heart did not show any differences in epicardial conduction velocity and heterogeneity. These data demonstrate that chronic ANG II treatment using osmotic minipumps presents a reliable, minimally invasive approach to establish hypertension and nonfibrotic LVH in sheep. PMID:27613823

  14. Modeling and Simulation of Longitudinal Dynamics for LER-HER PEP II Rings

    SciTech Connect

    Rivetta, Claudio; Mastorides, T.; Fox, J.D.; Teytelman, D.; Van Winkle, D.; /SLAC

    2007-03-06

    A time domain modeling and simulation tool for beam-cavity interactions in LER and HER rings at PEP II are presented. The motivation for this tool is to explore the stability margins and performance limits of PEP II RF systems at higher currents and upgraded RF configurations. It also serves as test bed for new control algorithms and can define the ultimate limits of the architecture. The time domain program captures the dynamical behavior of the beam-cavity interaction based on a reduced model. The ring current is represented by macro-bunches. Multiple RF station in the ring are represented via one or two macro-cavities. Each macro-cavity captures the overall behavior of all the 2 or 4 cavity RF station. Station models include nonlinear elements in the klystron and signal processing. This allows modeling the principal longitudinal impedance control loops interacting with the longitudinal beam model. Validation of simulation tool is in progress by comparing the measured growth rates for both LER and HER rings with simulation results. The simulated behavior of both machines at high currents are presented comparing different control strategies and the effect of non-linear klystrons in the growth rates.

  15. Large-scale Validation of AMIP II Land-surface Simulations: Preliminary Results for Ten Models

    SciTech Connect

    Phillips, T J; Henderson-Sellers, A; Irannejad, P; McGuffie, K; Zhang, H

    2005-12-01

    This report summarizes initial findings of a large-scale validation of the land-surface simulations of ten atmospheric general circulation models that are entries in phase II of the Atmospheric Model Intercomparison Project (AMIP II). This validation is conducted by AMIP Diagnostic Subproject 12 on Land-surface Processes and Parameterizations, which is focusing on putative relationships between the continental climate simulations and the associated models' land-surface schemes. The selected models typify the diversity of representations of land-surface climate that are currently implemented by the global modeling community. The current dearth of global-scale terrestrial observations makes exacting validation of AMIP II continental simulations impractical. Thus, selected land-surface processes of the models are compared with several alternative validation data sets, which include merged in-situ/satellite products, climate reanalyses, and off-line simulations of land-surface schemes that are driven by observed forcings. The aggregated spatio-temporal differences between each simulated process and a chosen reference data set then are quantified by means of root-mean-square error statistics; the differences among alternative validation data sets are similarly quantified as an estimate of the current observational uncertainty in the selected land-surface process. Examples of these metrics are displayed for land-surface air temperature, precipitation, and the latent and sensible heat fluxes. It is found that the simulations of surface air temperature, when aggregated over all land and seasons, agree most closely with the chosen reference data, while the simulations of precipitation agree least. In the latter case, there also is considerable inter-model scatter in the error statistics, with the reanalyses estimates of precipitation resembling the AMIP II simulations more than to the chosen reference data. In aggregate, the simulations of land-surface latent and sensible

  16. Modeling of optical spectra of the light-harvesting CP29 antenna complex of photosystem II--part II.

    PubMed

    Feng, Ximao; Kell, Adam; Pieper, Jörg; Jankowiak, Ryszard

    2013-06-01

    Until recently, it was believed that the CP29 protein from higher plant photosystem II (PSII) contains 8 chlorophylls (Chl's) per complex (Ahn et al. Science 2008, 320, 794-797; Bassi et al. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 10056-10061) in contrast to the 13 Chl's revealed by the recent X-ray structure (Pan et al. Nat. Struct. Mol. Biol. 2011, 18, 309-315). This disagreement presents a constraint on the interpretation of the underlying electronic structure of this complex. To shed more light on the interpretation of various experimental optical spectra discussed in the accompanying paper (part I, DOI 10.1021/jp4004328 ), we report here calculated low-temperature (5 K) absorption, fluorescence, hole-burned (HB), and 300 K circular dichroism (CD) spectra for CP29 complexes with a different number of pigments. We focus on excitonic structure and the nature of the low-energy state using modeling based on the X-ray structure of CP29 and Redfield theory. We show that the lowest energy state is mostly contributed to by a612, a611, and a615 Chl's. We suggest that in the previously studied CP29 complexes from spinach (Pieper et al. Photochem. Photobiol.2000, 71, 574-589) two Chl's could have been lost during the preparation/purification procedure, but it is unlikely that the spinach CP29 protein contains only eight Chl's, as suggested by the sequence homology-based study (Bassi et al. Proc. Natl. Acad. Sci. U.S.A.1999, 96, 10056-10061). The likely Chl's missing in wild-type (WT) CP29 complexes studied previously (Pieper et al. Photochem. Photobiol. 2000, 71, 574-589) include a615 and b607. This is why the nonresonant HB spectra shown in that reference were ~1 nm blue-shifted with the low-energy state mostly localized on about one Chl a (i.e., a612) molecule. Pigment composition of CP29 is discussed in the context of light-harvesting and excitation energy transfer. PMID:23662835

  17. Progresses in tritium accident modelling in the frame of IAEA EMRAS II

    SciTech Connect

    Galeriu, D.; Melintescu, A.

    2015-03-15

    The assessment of the environmental impact of tritium release from nuclear facilities is a topic of interest in many countries. In the IAEA's Environmental Modelling for Radiation Safety (EMRAS I) programme, progresses for routine releases were done and in the EMRAS II programme a dedicated working group (WG 7 - Tritium Accidents) focused on the potential accidental releases (liquid and atmospheric pathways). The progresses achieved in WG 7 were included in a complex report - a technical document of IAEA covering both liquid and atmospheric accidental release consequences. A brief description of the progresses achieved in the frame of EMRAS II WG 7 is presented. Important results have been obtained concerning washout rate, the deposition on the soil of HTO and HT, the HTO uptake by leaves and the subsequent conversion to OBT (organically bound tritium) during daylight. Further needs of the processes understanding and the experimental efforts are emphasised.

  18. The impact of a human IGF-II analog ([Leu27]IGF-II) on fetal growth in a mouse model of fetal growth restriction

    PubMed Central

    Charnock, Jayne C.; Dilworth, Mark R.; Aplin, John D.; Sibley, Colin P.; Westwood, Melissa

    2015-01-01

    Enhancing placental insulin-like growth factor (IGF) availability appears to be an attractive strategy for improving outcomes in fetal growth restriction (FGR). Our approach was the novel use of [Leu27]IGF-II, a human IGF-II analog that binds the IGF-II clearance receptor IGF-IIR in fetal growth-restricted (FGR) mice. We hypothesized that the impact of [Leu27]IGF-II infusion in C57BL/6J (wild-type) and endothelial nitric oxide synthase knockout (eNOS−/−; FGR) mice would be to enhance fetal growth and investigated this from mid- to late gestation; 1 mg·kg−1·day−1 [Leu27]IGF-II was delivered via a subcutaneous miniosmotic pump from E12.5 to E18.5. Fetal and placental weights recorded at E18.5 were used to generate frequency distribution curves; fetuses <5th centile were deemed growth restricted. Placentas were harvested for immunohistochemical analysis of the IGF system, and maternal serum was collected for measurement of exogenously administered IGF-II. In WT pregnancies, [Leu27]IGF-II treatment halved the number of FGR fetuses, reduced fetal(P = 0.028) and placental weight variations (P = 0.0032), and increased the numbers of pups close to the mean fetal weight (131 vs. 112 pups within 1 SD). Mixed-model analysis confirmed litter size to be negatively correlated with fetal and placental weight and showed that [Leu27]IGF-II preferentially improved fetal weight in the largest litters, as defined by number. Unidirectional 14CMeAIB transfer per gram placenta (System A amino acid transporter activity) was inversely correlated with fetal weight in [Leu27]IGF-II-treated WT animals (P < 0.01). In eNOS−/− mice, [Leu27]IGF-II reduced the number of FGR fetuses(1 vs. 5 in the untreated group). The observed reduction in FGR pup numbers in both C57 and eNOS−/− litters suggests the use of this analog as a means of standardizing and rescuing fetal growth, preferentially in the smallest offspring. PMID:26530156

  19. The impact of a human IGF-II analog ([Leu27]IGF-II) on fetal growth in a mouse model of fetal growth restriction.

    PubMed

    Charnock, Jayne C; Dilworth, Mark R; Aplin, John D; Sibley, Colin P; Westwood, Melissa; Crocker, Ian P

    2016-01-01

    Enhancing placental insulin-like growth factor (IGF) availability appears to be an attractive strategy for improving outcomes in fetal growth restriction (FGR). Our approach was the novel use of [Leu(27)]IGF-II, a human IGF-II analog that binds the IGF-II clearance receptor IGF-IIR in fetal growth-restricted (FGR) mice. We hypothesized that the impact of [Leu(27)]IGF-II infusion in C57BL/6J (wild-type) and endothelial nitric oxide synthase knockout (eNOS(-/-); FGR) mice would be to enhance fetal growth and investigated this from mid- to late gestation; 1 mg·kg(-1)·day(-1) [Leu(27)]IGF-II was delivered via a subcutaneous miniosmotic pump from E12.5 to E18.5. Fetal and placental weights recorded at E18.5 were used to generate frequency distribution curves; fetuses <5th centile were deemed growth restricted. Placentas were harvested for immunohistochemical analysis of the IGF system, and maternal serum was collected for measurement of exogenously administered IGF-II. In WT pregnancies, [Leu(27)]IGF-II treatment halved the number of FGR fetuses, reduced fetal(P = 0.028) and placental weight variations (P = 0.0032), and increased the numbers of pups close to the mean fetal weight (131 vs. 112 pups within 1 SD). Mixed-model analysis confirmed litter size to be negatively correlated with fetal and placental weight and showed that [Leu(27)]IGF-II preferentially improved fetal weight in the largest litters, as defined by number. Unidirectional (14C)MeAIB transfer per gram placenta (System A amino acid transporter activity) was inversely correlated with fetal weight in [Leu(27)]IGF-II-treated WT animals (P < 0.01). In eNOS(-/-) mice, [Leu(27)]IGF-II reduced the number of FGR fetuses(1 vs. 5 in the untreated group). The observed reduction in FGR pup numbers in both C57 and eNOS(-/-) litters suggests the use of this analog as a means of standardizing and rescuing fetal growth, preferentially in the smallest offspring. PMID:26530156

  20. Development and Verification of a TOPAZ-II Electromagnetic Pump Model

    NASA Astrophysics Data System (ADS)

    El-Genk, Mohamed S.; Paramonov, Dmitry V.

    1994-07-01

    An integrated model of the TOPAZ-II electromagnetic (EM) pump is developed and incorporated into the Thermionic Transient Analysis Model (TITAM). The magnetic field strength of the induction coil depends not only on the current supplied by the pump TFEs, but also on the temperature of the coil. All electric and thermal properties of the coolant, wall material of pump ducts, and the electric leads are taken to be temperature dependent. The pump model is benchmarked with experimental data at different coolant temperatures. Results show the pump model to be in good agreement with experimental data. The maximum deviation in the mass flow predictions obtained at different coolant temperatures and pump currents is less than 0.1 kg/s.

  1. Models of H II regions - Heavy element opacity, variation of temperature

    NASA Technical Reports Server (NTRS)

    Rubin, R. H.

    1985-01-01

    A detailed set of H II region models that use the same physics and self-consistent input have been computed and are used to examine where in parameter space the effects of heavy element opacity is important. The models are briefly described, and tabular data for the input parameters and resulting properties of the models are presented. It is found that the opacities of C, Ne, O, and to a lesser extent N play a vital role over a large region of parameter space, while S and Ar opacities are negligible. The variation of the average electron temperature T(e) of the models with metal abundance, density, and T(eff) is investigated. It is concluded that by far the most important determinator of T(e) is metal abundance; an almost 7000 K difference is expected over the factor of 10 change from up to down abundances.

  2. Modelling the Pan-Spectral Energy Distribution of Starburst Galaxies: II. Control of the H II Region Parameters

    SciTech Connect

    Dopita, M A; Fischera, J; Sutherland, R S; Kewley, L J; Tuffs, R J; Popescu, C C; van Breugel, W; Groves, B A; Leitherer, C

    2006-03-01

    We examine from a theoretical viewpoint how the physical parameters of H II regions are controlled both in normal galaxies and in starburst environments. These parameters are the H II region luminosity function, the time-dependent size, the covering fraction of molecular clouds, the pressure in the ionized gas and the ionization parameter. The factors which control them are the initial mass function of the exciting stars, the cluster mass function, the metallicity and the mean pressure in the surrounding interstellar medium. We investigate the sensitivity of the H{alpha} luminosity to the IMF, and find that this can translate to about 30% variation in derived star formation rates. The molecular cloud dissipation timescale is estimated from a case study of M17 to be {approx} 1 Myr. Based upon H II luminosity function fitting for nearby galaxies, we propose that the cluster mass function has a log-normal form peaking at {approx} 185M{sub {circle_dot}}. This suggests that the cluster mass function is the continuation of the stellar IMF to higher mass. The pressure in the H II regions is controlled by the mechanical luminosity flux from the central cluster. Since this is closely related to the ionizing photon flux, we show that the ionization parameter is not a free variable, and that the diffuse ionized medium may be composed of many large, faint and old H II regions. Finally, we derive theoretical probability distributions for the ionization parameter as a function of metallicity and compare these to those derived for SDSS galaxies.

  3. A Global Model of The Light Curves and Expansion Velocities of Type II-plateau Supernovae

    NASA Astrophysics Data System (ADS)

    Pejcha, Ondřej; Prieto, Jose L.

    2015-02-01

    We present a new self-consistent and versatile method that derives photospheric radius and temperature variations of Type II-Plateau supernovae based on their expansion velocities and photometric measurements. We apply the method to a sample of 26 well-observed, nearby supernovae with published light curves and velocities. We simultaneously fit ~230 velocity and ~6800 mag measurements distributed over 21 photometric passbands spanning wavelengths from 0.19 to 2.2 μm. The light-curve differences among the Type II-Plateau supernovae are well modeled by assuming different rates of photospheric radius expansion, which we explain as different density profiles of the ejecta, and we argue that steeper density profiles result in flatter plateaus, if everything else remains unchanged. The steep luminosity decline of Type II-Linear supernovae is due to fast evolution of the photospheric temperature, which we verify with a successful fit of SN 1980K. Eliminating the need for theoretical supernova atmosphere models, we obtain self-consistent relative distances, reddenings, and nickel masses fully accounting for all internal model uncertainties and covariances. We use our global fit to estimate the time evolution of any missing band tailored specifically for each supernova, and we construct spectral energy distributions and bolometric light curves. We produce bolometric corrections for all filter combinations in our sample. We compare our model to the theoretical dilution factors and find good agreement for the B and V filters. Our results differ from the theory when the I, J, H, or K bands are included. We investigate the reddening law toward our supernovae and find reasonable agreement with standard \\mathscr{R}_V˜ 3.1 reddening law in UBVRI bands. Results for other bands are inconclusive. We make our fitting code publicly available.

  4. Prognostic and Predictive Model for Stage II Colon Cancer Patients With Nonemergent Surgery

    PubMed Central

    Zhang, Chun-Dong; Wang, Ji-Nan; Sui, Bai-Qiang; Zeng, Yong-Ji; Chen, Jun-Qing; Dai, Dong-Qiu

    2016-01-01

    Abstract No ideal prognostic model has been applied to clearly identify which suitable high-risk stage II colon cancer patients with negative margins undergoing nonemergent surgery should receive adjuvant chemotherapy routinely. Clinicopathologic and prognostic data of 333 stage II colon cancer patients who underwent D2 or D3 lymphadenectomy during nonemergent surgery were retrospectively analyzed. Four pathologically determined factors, including adjacent organ involvement (RR 2.831, P = 0.001), histologic differentiation (RR 2.151, P = 0.009), lymphovascular invasion (RR 4.043, P < 0.001), and number of lymph nodes retrieved (RR 2.161, P = 0.011), were identified as independent prognostic factors on multivariate analysis. Importantly, a simple cumulative scoring system clearly categorizing prognostic risk groups was generated: risk score = ∑ coefficient’ × status (AOI + histological differentiated + lymphovascular invasion + LNs retrieved). Our new prognostic model may provide valuable information on the impact of lymphovascular invasion, as well as powerfully and reliably predicting prognosis and recurrence for this particular cohort of patients. This model may identify suitable patients with an R0 resection who should receive routine postoperative adjuvant therapy and may help clinicians to facilitate individualized treatment. In this study, we aim to provide an ideal and quantifiable method for clinical decision making in the nonemergent surgical treatment of stage II colon cancer. Our prognostic and predictive model should be applied in multicenter, prospective studies with large sample sizes, in order to obtain a more reliable clinical recommendation. PMID:26735527

  5. A GLOBAL MODEL OF THE LIGHT CURVES AND EXPANSION VELOCITIES OF TYPE II-PLATEAU SUPERNOVAE

    SciTech Connect

    Pejcha, Ondřej; Prieto, Jose L.

    2015-02-01

    We present a new self-consistent and versatile method that derives photospheric radius and temperature variations of Type II-Plateau supernovae based on their expansion velocities and photometric measurements. We apply the method to a sample of 26 well-observed, nearby supernovae with published light curves and velocities. We simultaneously fit ∼230 velocity and ∼6800 mag measurements distributed over 21 photometric passbands spanning wavelengths from 0.19 to 2.2 μm. The light-curve differences among the Type II-Plateau supernovae are well modeled by assuming different rates of photospheric radius expansion, which we explain as different density profiles of the ejecta, and we argue that steeper density profiles result in flatter plateaus, if everything else remains unchanged. The steep luminosity decline of Type II-Linear supernovae is due to fast evolution of the photospheric temperature, which we verify with a successful fit of SN 1980K. Eliminating the need for theoretical supernova atmosphere models, we obtain self-consistent relative distances, reddenings, and nickel masses fully accounting for all internal model uncertainties and covariances. We use our global fit to estimate the time evolution of any missing band tailored specifically for each supernova, and we construct spectral energy distributions and bolometric light curves. We produce bolometric corrections for all filter combinations in our sample. We compare our model to the theoretical dilution factors and find good agreement for the B and V filters. Our results differ from the theory when the I, J, H, or K bands are included. We investigate the reddening law toward our supernovae and find reasonable agreement with standard R{sub V}∼3.1 reddening law in UBVRI bands. Results for other bands are inconclusive. We make our fitting code publicly available.

  6. Visual imagery and the user model applied to fuel handling at EBR-II

    SciTech Connect

    Brown-VanHoozer, S.A.

    1995-06-01

    The material presented in this paper is based on two studies involving visual display designs and the user`s perspective model of a system. The studies involved a methodology known as Neuro-Linguistic Programming (NLP), and its use in expanding design choices which included the ``comfort parameters`` and ``perspective reality`` of the user`s model of the world. In developing visual displays for the EBR-II fuel handling system, the focus would be to incorporate the comfort parameters that overlap from each of the representation systems: visual, auditory and kinesthetic then incorporate the comfort parameters of the most prominent group of the population, and last, blend in the other two representational system comfort parameters. The focus of this informal study was to use the techniques of meta-modeling and synesthesia to develop a virtual environment that closely resembled the operator`s perspective of the fuel handling system of Argonne`s Experimental Breeder Reactor - II. An informal study was conducted using NLP as the behavioral model in a v reality (VR) setting.

  7. Analysis of five forest harvesting simulation models. II. Paths, pitfalls, and other considerations

    SciTech Connect

    Goulet, D.V.; Iff, R.H.; Sirois, D.L.

    1980-01-01

    This is the second of two papers describing the conclusions from a study to determine the state of the art in timber harvesting computer simulation modeling. Five models were evaluated -- Forest Harvesting Simulation Model (FHSM), Full Tree Field Chipping (FTFC), Harvesting System Simulator (HSS), Simulation Applied to Logging Systems (SAPLOS), and Timber Harvesting and Transport Simulator (THATS) -- for their potential use in southern forest harvesting operations. In Part I, modeling characteristics and overall model philosophy were identified and illustrated. This included a detailed discussion of the wood flow process in each model, accounting strategies for productive/nonproductive times, performance variables used, and the different harvesting systems modelable. In Part II user implementation problems are discussed. Those dealt with in detail are the following: What questions can be asked of the model. What are the modeling tradeoffs, and how do they impact on the analysis. What are the computer skills necessary to work effectively with the model. What computer support is needed. Are the models operational. The results provide a good picture of the state of the art in timber harvesting computer simulation. Much learning has occurred in the generation of these models, and many modeling and implementation problems have been uncovered, some of which remain unsolved. Hence, the user needs to examine closely the model and the intended application so that results will represent useable, valid data. It is recommended that the development of timber harvesting computer simulation modeling continue so that existing and proposed timber harvesting strategies can be adequately evaluated. Design criteria are proposed. (Refs. 22).

  8. Arms race modeling: systematic analysis and synthesis. (Volumes I and II)

    SciTech Connect

    Anderton, C.H.

    1986-01-01

    In recent years there has been a significant proliferation of arms race models in journals and books across many disciplines. Numerous factors have been put forth as relevant by arms race modelers and diverse analytical and explanatory approaches have been employed. This indicates that arms race modeling can be advanced by a systematic analysis (review) and synthesis. This is the purpose of this thesis). Part I discusses the perspective, purposes, and organization of this thesis, definitions of arms race, and mathematical modeling as a tool of arms race research. Parts II-VI review in detail over 125 arms race models and numerous other defense determination models. Part VII synthesizes arms race modeling factors and approaches from the perspective of economics. Each side in an arms race is viewed as facing an economic choice problem of how to allocate scarce resources between defense and nondefense goods. Part VIII undertakes policy analysis using the models developed in Part VII. The three issues investigated are (1) nuclear-conventional substitutability in the European theater, (2) the Strategic Defense Initiative, and (3) the impact of arms races on outputs and factor rewards. Part IX discusses future research avenues related to arms race modeling.

  9. Time-dependent toroidal compactification proposals and the Bianchi type II model: Classical and quantum solutions

    NASA Astrophysics Data System (ADS)

    Socorro, J.; Toledo Sesma, L.

    2016-03-01

    In this work we construct an effective four-dimensional model by compactifying a ten-dimensional theory of gravity coupled with a real scalar dilaton field on a time-dependent torus without the contributions of fluxes as first approximation. This approach is applied to anisotropic cosmological Bianchi type II model for which we study the classical coupling of the anisotropic scale factors with the two real scalar moduli produced by the compactification process. Also, we present some solutions to the corresponding Wheeler-DeWitt (WDW) equation in the context of Standard Quantum Cosmology and we claim that these quantum solution are generic in the moduli scalar field for all Bianchi Class A models. Also we give the relation to these solutions for asymptotic behavior to large argument in the corresponding quantum solution in the gravitational variables and compare with Bohm's solutions, finding that this corresponds to the lowest-order WKB approximation.

  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. Sorption modelling on illite. Part II: Actinide sorption and linear free energy relationships

    NASA Astrophysics Data System (ADS)

    Bradbury, M. H.; Baeyens, B.

    2009-02-01

    Sorption edge data for Ni(II), Co(II), Eu(III) and Sn(IV) [Bradbury M. H. and Baeyens B. (2009) Sorption modelling on illite. Part I: titration measurements and sorption of Ni(II), Co(II), Eu(III) and Sn(IV), Part I] on purified Na-Illite du Puy are available from some previous work, and some new measurements for Am(III), Th(IV), Pa(V) and U(VI) are presented here. All of these sorption edge measurements have been modelled with a 2 site protolysis non-electrostatic surface complexation and cation exchange (2SPNE SC/CE) sorption model for which the site types, site capacities and protolysis constants were fixed [Bradbury M. H. and Baeyens B. (2009), Part I]. In addition, two further data sets for the sorption of Am(III) and Np(V) on Illite du Puy, obtained from the literature, were also modelled in this work. Thus, surface complexation constants for the strong sites in the 2SPNE SC/CE sorption model for nine metals with valence states from II to VI have been obtained. A linear relationship between the logarithm of strong site metal binding constants, SK x-1, and the logarithm of the corresponding aqueous hydrolysis stability constant, OHK x, extending over nearly 35 orders of magnitude is established here for illite for these nine metals. Such correlations are often termed linear free energy relationships (LFER), and although they are quite common in aqueous phase chemistry, they are much less so in surface chemistry, especially over this large range. The LFER for illite could be described by the equation: logSK=7.9±0.4+(0.83±0.02)logOHKx where, " x" is an integer. A similar relationship has been previously obtained for montmorillonite, thus LFERs relating to the sorption on two of the most important clay minerals present in natural systems have been established. Such an LFER approach is an extremely useful tool for estimating surface complexation constants for metals in a chemically consistent manner. It provides a means of obtaining sorption values for

  12. Modelling the Pan-Spectral Energy Distribution of Starburst Galaxies: III. Emission Line Diagnostics of Ensembles of H II Regions

    SciTech Connect

    Dopita, M A; Fischera, J; Sutherland, R S; Kewley, L J; Leitherer, C; Tuffs, R J; Popescu, C C; van Breugel, W; Groves, B A

    2006-05-10

    We have built, as far as possible, fully self-consistent models of H II regions around aging clusters of stars. These produce strong emission line diagnostics applicable to either individual H II regions in galaxies, or to the integrated emission line spectra of disk or starburst galaxies. The models assume that the expansion and internal pressure of individual H II regions is driven by the net input of mechanical energy from the central cluster, be it through winds or supernova events. This eliminates the ionization parameter as a free variable, replacing it with a parameter which depends on the ratio of the cluster mass to the pressure in the surrounding interstellar medium. These models explain why H II regions with low abundances have high excitation, and demonstrate that at least part of the warm ionized medium is the result of overlapping faint, old, large, and low pressure H II regions. We present a number of line ratios (at both optical and IR wavelengths) that provide reliable abundance diagnostics for either single H II regions or for integrated galaxy spectra, and others that are sensitive to the age of the cluster stars exciting individual H II regions.

  13. Type II Supernova Energetics and Comparison of Light Curves to Shock-cooling Models

    NASA Astrophysics Data System (ADS)

    Rubin, Adam; Gal-Yam, Avishay; De Cia, Annalisa; Horesh, Assaf; Khazov, Danny; Ofek, Eran O.; Kulkarni, S. R.; Arcavi, Iair; Manulis, Ilan; Yaron, Ofer; Vreeswijk, Paul; Kasliwal, Mansi M.; Ben-Ami, Sagi; Perley, Daniel A.; Cao, Yi; Cenko, S. Bradley; Rebbapragada, Umaa D.; Woźniak, P. R.; Filippenko, Alexei V.; Clubb, K. I.; Nugent, Peter E.; Pan, Y.-C.; Badenes, C.; Howell, D. Andrew; Valenti, Stefano; Sand, David; Sollerman, J.; Johansson, Joel; Leonard, Douglas C.; Horst, J. Chuck; Armen, Stephen F.; Fedrow, Joseph M.; Quimby, Robert M.; Mazzali, Paulo; Pian, Elena; Sternberg, Assaf; Matheson, Thomas; Sullivan, M.; Maguire, K.; Lazarevic, Sanja

    2016-03-01

    During the first few days after explosion, Type II supernovae (SNe) are dominated by relatively simple physics. Theoretical predictions regarding early-time SN light curves in the ultraviolet (UV) and optical bands are thus quite robust. We present, for the first time, a sample of 57 R-band SN II light curves that are well-monitored during their rise, with \\gt 5 detections during the first 10 days after discovery, and a well-constrained time of explosion to within 1-3 days. We show that the energy per unit mass (E/M) can be deduced to roughly a factor of five by comparing early-time optical data to the 2011 model of Rabinak & Waxman, while the progenitor radius cannot be determined based on R-band data alone. We find that SN II explosion energies span a range of E/M = (0.2-20) × 1051 erg/(10 {M}⊙ ), and have a mean energy per unit mass of < E/M> =0.85× {10}51 erg/(10 {M}⊙ ), corrected for Malmquist bias. Assuming a small spread in progenitor masses, this indicates a large intrinsic diversity in explosion energy. Moreover, E/M is positively correlated with the amount of 56Ni produced in the explosion, as predicted by some recent models of core-collapse SNe. We further present several empirical correlations. The peak magnitude is correlated with the decline rate ({{Δ }}{m}15), the decline rate is weakly correlated with the rise time, and the rise time is not significantly correlated with the peak magnitude. Faster declining SNe are more luminous and have longer rise times. This limits the possible power sources for such events.

  14. The Jena Diversity Model: Towards a Richer Representation of the Terrestrial Biosphere for Earth System Modelling

    NASA Astrophysics Data System (ADS)

    Pavlick, R.; Reu, B.; Bohn, K.; Dyke, J.; Kleidon, A.

    2010-12-01

    The terrestrial biosphere is a complex, self-organizing system which is continually both adapting to and altering its global environment. It also exhibits a vast diversity of vegetation forms and functioning. However, the terrestrial biosphere components within current state-of-the-art Earth System Models abstract this diversity in to a handful of relatively static plant functional types. These coarse and static representations of functional diversity might contribute to overly pessimistic projections regarding terrestrial ecosystem responses to scenarios of global change (e.g. Amazonian and boreal forest diebacks). In the Jena Diversity (JeDi) model, we introduce a new approach to vegetation modelling with a richer representation of functional diversity, based not on plant functional types, but on unavoidable plant ecophysiological trade-offs, which we hypothesize should be more stable in time. The JeDi model tests a large number of plant growth strategies. Each growth strategy is simulated using a set of randomly generated parameter values, which characterize its functioning in terms of carbon allocation, ecophysiology, and phenology, which are then linked to the growing conditions at the land surface. The model is constructed in such a way that these parameters inherently lead to ecophysiological trade-offs, which determine whether a growth strategy is able to survive and reproduce under the prevalent climatic conditions. Kleidon and Mooney (2000) demonstrated that this approach is capable of reproducing the geographic distribution of species richness. More recently, we have shown the JeDi model can explain other biogeographical phenomena including the present-day global pattern of biomes (Reu et al., accepted), ecosystem evenness (Kleidon et al. 2009), and possible mechanisms for biome shifts and biodiversity changes under scenarios of global warming (Reu et al., submitted). We have also evaluated the simulated biogeochemical fluxes from JeDi against a variety

  15. Multi-dimensional modelling of gas turbine combustion using a flame sheet model in KIVA II

    NASA Technical Reports Server (NTRS)

    Cheng, W. K.; Lai, M.-C.; Chue, T.-H.

    1991-01-01

    A flame sheet model for heat release is incorporated into a multi-dimensional fluid mechanical simulation for gas turbine application. The model assumes that the chemical reaction takes place in thin sheets compared to the length scale of mixing, which is valid for the primary combustion zone in a gas turbine combustor. In this paper, the details of the model are described and computational results are discussed.

  16. A multimedia fate and chemical transport modeling system for pesticides: II. Model evaluation

    NASA Astrophysics Data System (ADS)

    Li, Rong; Scholtz, M. Trevor; Yang, Fuquan; Sloan, James J.

    2011-07-01

    Pesticides have adverse health effects and can be transported over long distances to contaminate sensitive ecosystems. To address problems caused by environmental pesticides we developed a multimedia multi-pollutant modeling system, and here we present an evaluation of the model by comparing modeled results against measurements. The modeled toxaphene air concentrations for two sites, in Louisiana (LA) and Michigan (MI), are in good agreement with measurements (average concentrations agree to within a factor of 2). Because the residue inventory showed no soil residues at these two sites, resulting in no emissions, the concentrations must be caused by transport; the good agreement between the modeled and measured concentrations suggests that the model simulates atmospheric transport accurately. Compared to the LA and MI sites, the measured air concentrations at two other sites having toxaphene soil residues leading to emissions, in Indiana and Arkansas, showed more pronounced seasonal variability (higher in warmer months); this pattern was also captured by the model. The model-predicted toxaphene concentration fraction on particles (0.5-5%) agrees well with measurement-based estimates (3% or 6%). There is also good agreement between modeled and measured dry (1:1) and wet (within a factor of less than 2) depositions in Lake Ontario. Additionally this study identified erroneous soil residue data around a site in Texas in a published US toxaphene residue inventory, which led to very low modeled air concentrations at this site. Except for the erroneous soil residue data around this site, the good agreement between the modeled and observed results implies that both the US and Mexican toxaphene soil residue inventories are reasonably good. This agreement also suggests that the modeling system is capable of simulating the important physical and chemical processes in the multimedia compartments.

  17. Analysis of TOPAZ II and SPACE-R space nuclear power plants using a modified thermionic model

    SciTech Connect

    Habedank, O.D.

    1993-03-01

    Models based on the TDS thermionic diode model were developed for the TOPAZ II and SPACE-R nuclear power systems. Due to computer code limitations inherent in the TDS model, only the TOPAZ II system model ran successfully. Several parameter studies were conducted on the TOPAZ II model. These studies determined system performance and efficiency while varying the following: (1) the coolant flow inlet temperatures; (2) the rate of coolant temperature change; (3) the power profile of the core; and (4) the cesium reservoir temperature. Analysis of the results indicate that the model accurately represented the TOPAZ II system, underestimating published data by 10%. Coolant flow parameter studies indicate that raising coolant flow temperatures up to 100 K higher increases system power by put to 5%. Additional increases in temperature result in gradual performance degradation. Varying the axial power profile of the core from the actual peaked profile to a flat profile results in a negligible 0.3% change in total system performance. The peaked profile used in TOPAZ II produces the highest system efficiency of all the profiles modeled. The cesium pressure study indicates that the system is operating above optimum cesium pressure and that system performance is strongly dependent on cesium pressure. Increasing cesium reservoir temperature above design temperature by 30 K decreases system efficiency by 30%.

  18. Blooms' separation of the final exam of Engineering Mathematics II: Item reliability using Rasch measurement model

    NASA Astrophysics Data System (ADS)

    Fuaad, Norain Farhana Ahmad; Nopiah, Zulkifli Mohd; Tawil, Norgainy Mohd; Othman, Haliza; Asshaari, Izamarlina; Osman, Mohd Hanif; Ismail, Nur Arzilah

    2014-06-01

    In engineering studies and researches, Mathematics is one of the main elements which express physical, chemical and engineering laws. Therefore, it is essential for engineering students to have a strong knowledge in the fundamental of mathematics in order to apply the knowledge to real life issues. However, based on the previous results of Mathematics Pre-Test, it shows that the engineering students lack the fundamental knowledge in certain topics in mathematics. Due to this, apart from making improvements in the methods of teaching and learning, studies on the construction of questions (items) should also be emphasized. The purpose of this study is to assist lecturers in the process of item development and to monitor the separation of items based on Blooms' Taxonomy and to measure the reliability of the items itself usingRasch Measurement Model as a tool. By using Rasch Measurement Model, the final exam questions of Engineering Mathematics II (Linear Algebra) for semester 2 sessions 2012/2013 were analysed and the results will provide the details onthe extent to which the content of the item providesuseful information about students' ability. This study reveals that the items used in Engineering Mathematics II (Linear Algebra) final exam are well constructed but the separation of the items raises concern as it is argued that it needs further attention, as there is abig gap between items at several levels of Blooms' cognitive skill.

  19. Hemodynamic characterization of the diabetic Psammomys obesus--an animal model of type II diabetes mellitus.

    PubMed

    Hilzenrat, N; Sikuler, E; Yaari, A; Maislos, M

    1996-11-01

    The hemodynamic changes occurring early in the course of non-insulin-dependent diabetes mellitus (Type II, NIDDM) are not well understood. We applied the radioactive microspheres technique at an early stage of diabetes in Psammomys abesus (sand rat), an established animal model of spontaneous NIDDM. Ten diabetic and 7 control male animals were studied. Plasma glucose and insulin levels in the diabetic group were significantly higher than in the control group (21.3 +/- 2.1 vs. 6.2 +/- 1.1 mmol/l, and 2,650 +/- 480 vs. 770 +/- 120 pmol/l, respectively). Mean arterial blood pressure, heart rate, cardiac output, splanchnic blood flow, muscular blood flow, and total peripheral resistance were not statistically different between the two groups. Renal blood flow was significantly lower in the diabetic group (7.45 +/- 0.32 vs. 10.48 +/- 0.99 ml/min) and renal arterial resistance was higher (11.65 +/- 0.93 vs. 8.33 +/- 0.76 mm Hg.min/ml) compared with the control group. These results suggest that increased renal resistance and decreased renal blood flow may be the initial hemodynamic alterations in NIDDM. The combination of this animal model with the radioactive microspheres technique provides a new tool for studying the physiopathology, the natural history of hemodynamic changes, and possible therapeutic interventions of Type II diabetes. PMID:8960075

  20. Mathematics in Marine Botany: Examples of the Modelling Process. Part II: Continuous Models.

    ERIC Educational Resources Information Center

    Nyman, Melvin A.; Brown, Murray T.

    1996-01-01

    Describes some continuous models for growth of the seaweed Macrocystis pyrifera. Uses observed growth rates over several months to derive first-order differential equations as models for growth rates of individual fronds. The nature of the solutions is analyzed and comparison between these theoretical results and documented characteristics of…

  1. A wheat grazing model for simulating grain and beef production: Part II - model validation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Model evaluation is a prerequisite to its adoption and successful application. The objective of this paper is to evaluate the ability of a newly developed wheat grazing model to predict fall-winter forage and grain yields of winter wheat (Triticum aestivum L.) as well as daily weight gains per steer...

  2. A mediational model of PTSD in World War II veterans exposed to mustard gas.

    PubMed

    Jankowski, M Kay; Schnurr, Paula P; Adams, Gary A; Green, Bonnie L; Ford, Julian D; Friedman, Matthew J

    2004-08-01

    Structural equation modeling (SEM) was used to examine associations among trauma-related contextual factors, initial psychological reactions, social support, and subsequent disclosure on posttraumatic stress disorder (PTSD) symptoms in a sample of World War II (WWII) veterans exposed to mustard gas (N = 305). A structural model suggested that initial psychological reaction mediated the relationship between variables related to the context of mustard gas exposure and severity of PTSD symptoms 50 years later. Unexpectedly, social support appeared to be positively related to PTSD symptoms, and not related to the contextual variables or initial psychological reactions. These findings contribute to our understanding of PTSD in older veterans, and have relevance for early intervention services to prevent PTSD among those at risk for exposure to toxic agents. PMID:15462537

  3. A cometary hydrogen model - Comparison with OGO-5 measurements of Comet Bennett /1970 II/

    NASA Technical Reports Server (NTRS)

    Keller, H. U.; Thomas, G. E.

    1975-01-01

    A model is constructed for the hydrogen cloud of Comet Bennett (1970 II) based on highly sensitive observations of its Lyman alpha emission by a photometer on board OGO-5 and taking into account the cometary motion, field gradients, solar L-alpha profile, and finite lifetime of the H atoms along their trajectories. The solar L-alpha flux is determined independently of instrumental calibration using the strong curvature of the hydrogen cloud in the orbital plane of the comet, and the cometary production rate of hydrogen atoms is calculated. The combination of two equally weighted Maxwellian velocity distributions with mean velocities of 7 and 21 km/sec is found to match the photometer scans across the comet better than any single Maxwellian distribution. A complete L-alpha isophote map is presented for the model hydrogen cloud on Mar. 20, 1970.

  4. Correspondence between dark solitons and the type II excitations of the Lieb-Liniger model

    NASA Astrophysics Data System (ADS)

    Karpiuk, Tomasz; Sowiński, Tomasz; Gajda, Mariusz; Rzążewski, Kazimierz; Brewczyk, Mirosław

    2015-01-01

    A one-dimensional model of bosons with repulsive short-range interactions, solved analytically by Lieb and Liniger many years ago, predicts the existence of two branches of elementary excitations. One of them represents Bogoliubov phonons; the other, as suggested by some authors, might be related to dark solitons. On the other hand, it has been already demonstrated within the framework of the classical field approximation that a quasi-one-dimensional interacting Bose gas at equilibrium exhibits excitations which are phonons and dark solitons. By showing that for lower temperatures statistical distributions of dark solitons obtained within the classical field approximation are well represented by the distributions of quasiparticles of the second kind derived from fully quantum description, we demonstrate that type II excitations in the Lieb-Liniger model are, indeed, quantum solitons.

  5. Comparative Study of Personality Traits in Patients with Bipolar I and II Disorder from the Five-Factor Model Perspective

    PubMed Central

    Kim, Byungsu; Lim, Jong-Han; Kim, Seong Yoon

    2012-01-01

    Objective The distinguishing features of Bipolar I Disorder (BD I) from Bipolar II Disorder (BD II) may reflect a separation in enduring trait dimension between the two subtypes. We therefore assessed the similarities and differences in personality traits in patients with BD I and BD II from the perspective of the Five-Factor Model (FFM). Methods The revised NEO Personality Inventory (NEO-PI-R) was administered to 85 BD I (47 females, 38 males) and 43 BD II (23 females, 20 males) patients. All included patients were in remission from their most recent episode and in a euthymic state for at least 8 weeks prior to study entry. Results BDII patients scored higher than BD I patients on the Neuroticism dimension and its four corresponding facets (Anxiety, Depression, Self-consciousness, and Vulnerability). In contrast, BD II patients scored lower than BD I patients on the Extraversion dimension and its facet, Positive emotion. Competence and Achievement-striving facets within the Conscientiousness dimension were significantly lower for BD II than for BD I patients. There were no significant between-group differences in the Openness and Agreeableness dimensions. Conclusion Disparities in personality traits were observed between BD I and BD II patients from the FFM perspective. BD II patients had higher Neuroticism and lower Extraversion than BD I patients, which are differentiating natures between the two subtypes based on the FFM. PMID:23251198

  6. Scientific uncertainties in atmospheric mercury models III: Boundary and initial conditions, model grid resolution, and Hg(II) reduction mechanism

    SciTech Connect

    Lin, Che-Jen; Pongprueksa, Pruek; Lindberg, Steven Eric; Jang, Carey; Braverman, Thomas; Bullock, Russell O; Ho, Thomas; Chu, Hsing-Wei

    2008-03-01

    In this study, the model response in terms of simulated mercury concentration and deposition to boundary condition (BC), initial condition (IC), model grid resolution (12 km versus 36 km), and two alternative Hg(II) reduction mechanisms, was investigated. The model response to the change of gaseous elemental mercury (GEM) concentration from 0 to 2 ngm3 in IC/BC is found to be very linear (r240.99) based on the results of sensitivity simulations in July 2001. An increase of 1 ngm3 of GEM in BC resulted in an increase of 0.81 ngm3 in the monthly average of total mercury concentration, and 1270 ngm2 in the monthly total deposition. IC has similar but weaker effects compared to those of BC. An increase of 1 ngm3 of GEM in IC resulted in an increase of 0.14 ngm3 in the monthly average of total mercury concentration, and 250 ngm2 in the monthly total deposition. Varying reactive gaseous mercury (RGM) or particulate mercury (PHg) in BC/IC has much less significant impact. Simulation results at different grid resolutions show good agreement (slope 0.950 1.026, r 0.816 0.973) in mercury concentration, dry deposition, and total deposition. The agreement in wet deposition is somewhat weaker (slope 0.770 0.794, r 0.685 0.892) due to the difference in emission dilution and simulated precipitation that subsequently change reaction rates in the aqueous phase. Replacing the aqueous Hg(II)-HO2 reduction by either RGM reduction by CO (51018cm3 molecule1 s1) or photoreduction of RGM (1105 s1) gives significantly better model agreement with the wet deposition measured by Mercury Deposition Network (MDN). Possible ranges of the reduction rates are estimated based on model sensitivity results. The kinetic estimate requires further verification by laboratory studies.

  7. A scattering model for perfectly conducting random surfaces. I - Model development. II - Range of validity

    NASA Technical Reports Server (NTRS)

    Fung, A. K.; Pan, G. W.

    1987-01-01

    The surface current on a perfectly conducting randomly rough surface is estimated by solving iteratively a standard integral equation, and the estimate is then used to compute the far-zone scattered fields and the backscattering coefficients for vertical, horizontal and cross polarizations. The model developed here yields a simple backscattering coefficient expression in terms of the surface parameters. The expression reduces analytically to the Kirchhoff and the first-order small-perturbation model in the high- and low-frequency regions, respectively. The range of validity of the model is determined.

  8. GYMNOS Modeling of Electron Beam Dynamics for the Injector and Final Focus Regions of the ETA-II Accelerator

    NASA Astrophysics Data System (ADS)

    Kueny, C. S.; Wang, L.-F.; Chen, Y.-J.; Hewett, D. W.

    1999-11-01

    The 2-D axisymmetric PIC code GYMNOS has been used to model electron beam dynamics in the ETA-II accelerator at LLNL. Experiments on ETA-II seek to produce a high-brightness, low-emittance electron beam and deliver it to an X-ray converter target. These experiments are relevant to the DARHT II (Dual Axis Radiography Hydrodynamic Test) and AHF (Advanced Hydrotest Facility) projects, which will provide X-ray radiography diagnostics as part of the US Science-Based Stockpile Stewardship Program. We present simulations of both the ETA-II injector which produces the initial beam, and of the target region where X-ray generation occurs. GYMNOS employs the Embedded Curved Boundary (ECB) model to provide accurate beam modeling near the injector cathode and the target surfaces, and was recently upgraded with a non-uniform mesh to efficiently model the beam over a range of spatial scales. Modeling of the ETA-II injector has provided guidance on experimental parameters necessary for producing a high-quality beam for transport through the accelerator. Simulations of the target region have modeled the effects of backstreaming ions and backscattered electrons on beam dynamics, and investigated possible measures to minimize degradation in beam quality and final spot size.

  9. HIERARCHICAL METHODOLOGY FOR MODELING HYDROGEN STORAGE SYSTEMS PART II: DETAILED MODELS

    SciTech Connect

    Hardy, B; Donald L. Anton, D

    2008-12-22

    There is significant interest in hydrogen storage systems that employ a media which either adsorbs, absorbs or reacts with hydrogen in a nearly reversible manner. In any media based storage system the rate of hydrogen uptake and the system capacity is governed by a number of complex, coupled physical processes. To design and evaluate such storage systems, a comprehensive methodology was developed, consisting of a hierarchical sequence of models that range from scoping calculations to numerical models that couple reaction kinetics with heat and mass transfer for both the hydrogen charging and discharging phases. The scoping models were presented in Part I [1] of this two part series of papers. This paper describes a detailed numerical model that integrates the phenomena occurring when hydrogen is charged and discharged. A specific application of the methodology is made to a system using NaAlH{sub 4} as the storage media.

  10. Modeling FAMA ion beam diagnostics based on the Ptolemy II model

    NASA Astrophysics Data System (ADS)

    Balvanović, R.; Beličev, P.; Radjenović, B.

    2012-10-01

    The previously developed model of ion beam transport control of the FAMA facility is further enhanced by equipping it with the model of ion beam diagnostics. The model of control, executing once, is adjusted so that it executes in iterative mode, where each iteration samples the input beam normally distributed over initial phase space and calculates a single trajectory through the facility beam lines. The model takes into account only the particles that manage to pass through all the beam line apertures, emulating in this way a Faraday cup and a beam profile meter. Generated are also beam phase space distributions and horizontal and vertical beam profiles at the end of the beam transport lines the FAMA facility consists of. By adding the model of ion beam diagnostics to the model of ion beam transport control, the process of determining optimal ion beam control parameters is eased and speeded up, and the understanding of influence of control parameters on the ion beam characteristics is improved.

  11. An improved model of H II bubbles during the epoch of reionization

    NASA Astrophysics Data System (ADS)

    Paranjape, Aseem; Choudhury, T. Roy

    2014-08-01

    The size distribution of ionized regions during the epoch of reionization - a key ingredient in understanding the H I power spectrum observable by 21 cm experiments - can be modelled analytically using the excursion set formalism of random walks in the smoothed initial density field. To date, such calculations have been based on simplifying assumptions carried forward from the earliest excursion set models of two decades ago. In particular, these models assume that the random walks have uncorrelated steps and that haloes can form at arbitrary locations in the initial density field. We extend these calculations by incorporating recent technical developments that allow us to (a) include the effect of correlations in the steps of the walks induced by a realistic smoothing filter and (b) more importantly, account for the fact that dark matter haloes preferentially form near peaks in the initial density. A comparison with previous calculations shows that including these features, particularly the peaks constraint on halo locations, has large effects on the size distribution of the H II bubbles surrounding these haloes. For example, when comparing models at the same value of the globally averaged ionized volume fraction, the typical bubble sizes predicted by our model are more than a factor of 2 larger than earlier calculations. Our results can potentially have a significant impact on estimates of the observable H I power spectrum.

  12. Multiscale modeling, simulations, and experiments of coating growth on nanofibers. Part II. Deposition

    SciTech Connect

    Buldum, A.; Clemons, C.B.; Dill, L.H.; Kreider, K.L.; Young, G.W.; Zheng, X.; Evans, E.A.; Zhang, G.; Hariharan, S.I.

    2005-08-15

    This work is Part II of an integrated experimental/modeling investigation of a procedure to coat nanofibers and core-clad nanostructures with thin-film materials using plasma-enhanced physical vapor deposition. In the experimental effort, electrospun polymer nanofibers are coated with aluminum materials under different operating conditions to observe changes in the coating morphology. This procedure begins with the sputtering of the coating material from a target. Part I [J. Appl. Phys. 98, 044303 (2005)] focused on the sputtering aspect and transport of the sputtered material through the reactor. That reactor level model determines the concentration field of the coating material. This field serves as input into the present species transport and deposition model for the region surrounding an individual nanofiber. The interrelationships among processing factors for the transport and deposition are investigated here from a detailed modeling approach that includes the salient physical and chemical phenomena. Solution strategies that couple continuum and atomistic models are used. At the continuum scale, transport dynamics near the nanofiber are described. At the atomic level, molecular dynamics (MD) simulations are used to study the deposition and sputtering mechanisms at the coating surface. Ion kinetic energies and fluxes are passed from the continuum sheath model to the MD simulations. These simulations calculate sputtering and sticking probabilities that in turn are used to calculate parameters for the continuum transport model. The continuum transport model leads to the definition of an evolution equation for the coating-free surface. This equation is solved using boundary perturbation and level set methods to determine the coating morphology as a function of operating conditions.

  13. Fuel Modelling at Extended Burnup: IAEA Coordinated Research Project FUMEX-II

    SciTech Connect

    Killeen, J.C.; Turnbull, J.A.; Sartori, E.

    2007-07-01

    The International Atomic Energy Agency sponsored a Coordinated Research Project on Fuel Modelling at Extended Burnup (FUMEX-II). Eighteen fuel modelling groups participated with the intention of improving their capabilities to understand and predict the behaviour of water reactor fuel at high burnups. The exercise was carried out in coordination with the OECD/NEA. The participants used a mixture of data derived from actual irradiation histories of high burnup experimental fuel and commercial irradiations where post-irradiation examination measurements are available, combined with idealised power histories intended to represent possible future extended dwell commercial irradiations and test code capabilities at high burnup. All participants have been asked to model nine priority cases out of some 27 cases made available to them for the exercise from the IAEA/OECD International Fuel Performance Experimental Database. Calculations carried out by the participants, particularly for the idealised cases, have shown how varying modelling assumptions affect the high burnup predictions, and have led to an understanding of the requirements of future high burnup experimental data to help discriminate between modelling assumptions. This understanding is important in trying to model transient and fault behaviour at high burnup. It is important to recognise that the code predictions presented here should not be taken to indicate that some codes do not perform well. The codes have been designed for different applications and have differing assumptions and validation ranges; for example codes intended to predict Candu fuel operation with thin wall collapsible cladding do not need the clad creep and gap conductivity modelling found in PWR codes. Therefore, when a case is based on Candu technology or PWR technology, it is to be expected that the codes may not agree. However, it is the very differences in such behaviour that is useful in helping to understand the effects of such

  14. MODELING THE NUCLEAR INFRARED SPECTRAL ENERGY DISTRIBUTION OF TYPE II ACTIVE GALACTIC NUCLEI

    SciTech Connect

    Lira, Paulina; Videla, Liza; Wu, Yanling; Alonso-Herrero, Almudena; Alexander, David M.; Ward, Martin

    2013-02-20

    We present results from model fitting to the spectral energy distribution (SED) of a homogeneous sample of Seyfert II galaxies drawn from the 12 {mu}m Galaxy Sample. Imaging and nuclear flux measurements are presented in an accompanying paper. Here we add Spitzer/IRS observations to further constrain the SEDs after careful subtraction of a starburst component. We use the library of CLUMPY torus models from Nenkova et al. and also test the two-phase models recently produced by Stalevski et al. We find that photometric and spectroscopic observations in the mid-IR ({lambda} {approx}> 5 {mu}m) are crucial to properly constrain the best-fit torus models. About half of our sources show clear near-IR excess of their SEDs above the best-fit models. This problem can be less severe when using the Stalevski et al. models. The nature of this emission is not clear since best-fitted blackbody temperatures are very high ({approx}1700-2500 K) and the Type II classification of our sources would correspond to a small probability to peer directly into the hottest regions of the torus. Crucially, the derived torus parameters are quite robust when using CLUMPY models, independently of whether or not the sources require an additional blackbody component. Our findings suggest that tori are characterized by N{sub 0}{approx}>5, {sigma} {approx}> 40, {tau} {approx}< 25, Angle i {approx}> 40 Degree-Sign , Y {approx}< 50, and A {sup los} {sub v} {approx} 100-300, where N{sub 0} is the number of clouds in the equatorial plane of the torus, {sigma} is the characteristic opening angle of the cloud distribution, {tau} is the opacity of a single cloud, Angle i is the line-of-sight orientation of the torus, Y is the ratio of the inner to the outer radii, and A {sup los} {sub v} is the total opacity along the line of sight. From these, we can determine typical torus sizes and masses of 0.1-5.0 pc and 10{sup 4}-10{sup 6} M {sub Sun }, respectively. We find tentative evidence that those nuclei with

  15. Blind prediction of Cu(II) sorption onto goethite: Current capabilities of diffuse double layer model

    NASA Astrophysics Data System (ADS)

    Richter, Anke; Brendler, Vinzenz; Nebelung, Cordula

    2005-06-01

    The paper presents examples illustrating the current blind predictive capabilities of the diffuse double layer model (DDLM) as the model requiring the smallest set of parameters and thus being most suitable for substituting even more empiric sorption approaches such as distribution coefficients K D. The general strategy for the selection of numerical data are discussed. Based on the information about the minerals compiled in the sorption database RES 3T (Rossendorf Expert System for Surface and Sorption Thermodynamics), first a set of relevant surface species is generated. Then relevant surface complexation parameters are taken from RES 3T: the binding site density for the minerals, the surface protolysis constants, and the stability constants for all relevant surface complexes. To be able to compare and average thermodynamic constants originating from different sources, a normalization concept is applied. Our demonstration is based on a blind prediction exercise, i.e., the goal was not to provide optimal fits. The system considered is Cu(II) sorption onto goethite. The predictions are compared with raw data from three independent experimental investigations. The calculations were performed with the FITEQL 3.2 code. In most cases the model predictions represented the experimental sorption values for the sorbed amount of Cu(II), expressed as conventional distribution coefficients, within one order of magnitude or better. We conclude that the application of DDLM can indeed be used for estimating distribution coefficients for contaminants in well defined mineral systems. A stepwise strategy of species selection, data collection, normalization, and averaging is outlined. The SCM database so far assembled within the RES 3T project is able to provide the parameter sets.

  16. Continuous infusion of angiotensin II modulates hypertrophic differentiation and apoptosis of chondrocytes in cartilage formation in a fracture model mouse.

    PubMed

    Kawahata, Hirohisa; Sotobayashi, Daisuke; Aoki, Motokuni; Shimizu, Hideo; Nakagami, Hironori; Ogihara, Toshio; Morishita, Ryuichi

    2015-06-01

    Although components of the renin-angiotensin system (RAS) are reported to be expressed in cultured chondrocytes and cartilage, little is known about the precise function of Angiotensin II (Ang II) in chondrocytes. In this study, we employed a rib fracture model mouse to investigate the effect of Ang II on chondrocytes. Ang II type 1 receptor (AT1R) was expressed in chondrocytes in the growth plate of mouse tibia. Continuous infusion of Ang II to rib-fractured mice resulted in a significant increase in the volume of cartilage, suggesting Ang II-induced hypertrophic differentiation of chondrocytes. It was also confirmed by a significant increase in the mRNA expression of Sox9 and runt-related transcription factor 2 (Runx2), which are genes related to chondrocyte differentiation, and type X collagen, matrix metalloproteinase (MMP)-13 and Indian hedgehog (Ihh), which are hypertrophic chondrocyte-specific molecular markers. Chondrocyte hypertrophy with upregulation of these genes was attenuated by administration of olmesartan, an AT1R blocker, but not by hydralazine. Moreover, Ang II infusion significantly suppressed apoptosis of chondrocytes, accompanied by significant induction of mRNA expression of bcl-2 and bcl-xL. Olmesartan, but not hydralazine, significantly attenuated the reduction of apoptotic cells and the increase in anti-apoptotic genes induced by Ang II infusion. Overall, the present study demonstrated that Ang II promoted hypertrophic differentiation of chondrocytes and reduced apoptosis of hypertrophic chondrocytes independently of high blood pressure. The present data indicate the role of Ang II in cartilage, and might provide a new concept for treatment of cartilage diseases. PMID:25693858

  17. Final Report for Dynamic Models for Causal Analysis of Panel Data. Models for Change in Quantitative Variables, Part II Scholastic Models. Part II, Chapter 4.

    ERIC Educational Resources Information Center

    Hannan, Michael T.

    This document is part of a series of chapters described in SO 011 759. Stochastic models for the sociological analysis of change and the change process in quantitative variables are presented. The author lays groundwork for the statistical treatment of simple stochastic differential equations (SDEs) and discusses some of the continuities of…

  18. Establishment of type II 5alpha-reductase over-expressing cell line as an inhibitor screening model.

    PubMed

    Jang, Sunhyae; Lee, Young; Hwang, Seong-Lok; Lee, Min-Ho; Park, Su Jin; Lee, In Ho; Kang, Sangjin; Roh, Seok-Seon; Seo, Young-Joon; Park, Jang-Kyu; Lee, Jeung-Hoon; Kim, Chang Deok

    2007-01-01

    Dihydrotestosterone (DHT) is the most potent male hormone that causes androgenetic alopecia. The type II 5alpha-reductase is an enzyme that catalyzes the conversion of testosterone (T) to DHT, therefore it can be expected that specific inhibitors for type II 5alpha-reductase may improve the pathophysiologic status of androgenetic alopecia. In this study, we attempted to establish the reliable and convenient screening model for type II 5alpha-reductase inhibitors. After transfection of human cDNA for type II 5alpha-reductase into HEK293 cells, the type II 5alpha-reductase over-expressing stable cells were selected by G418 treatment. RT-PCR and Western blot analyses confirmed that type II 5alpha-reductase gene was expressed in the stable cells. In in vitro enzymatic assay, 10 microg of stable cell extract completely converted 1 microCi (approximately 0.015 nmol) of T into DHT. The type II 5alpha-reductase activity was inhibited by finasteride in a dose-dependent manner, confirming the reliability of screening system. In cell culture condition, 2 x 10(5) of stable cells completely converted all the input T (approximately 0.03 nmol) into DHT by 4h incubation, demonstrating that the stable cell line can be used as a cell-based assay system. Using this system, we selected the extracts of Curcumae longae rhizoma and Mori ramulus as the potential inhibitors for type II 5alpha-reductase. These results demonstrate that the type II 5alpha-reductase over-expressing stable cell line is a convenient and reliable model for screening and evaluation of inhibitors. PMID:17646096

  19. Unified Model of Type I and Type II Turbulence in the Equitorial E-Layer Plasma

    NASA Astrophysics Data System (ADS)

    Horton, W., Jr.; Hassan, E.; Smolyakov, A.; Litt, S.; Hatch, D. R.

    2014-12-01

    A new unified two-fluid model for the E-layer for the Type I and Type II plasma instabilities is developed and simulated for the nonlinear dynamics of the electron density, the electric fields, and ion fluid acceleration. Profiles and parameters are taken from the IRI data for the equitorial region ionosphere. Large, spectral simulations for the turbulence and the coherent structures are carried out. The fields are recorded for each sub-second time step in both physical space and wavenubmer space. The growth rate has two peaks in horizontal wavenumber and the nonlinear cascades go both to small scales [~10cm] and large scales [~10-50m]. Horizontal and vertical wavenumber spectra are shown as well as the isotropized energy spectrum of k-n. The S4 scintillation index computed from the density fluctuations and the PDFs for intermittency from the density fluctuations are computed. The PDFs and the net electron density fluxes are computed. Examples are run where the upward density gradient (Type II) is the dominant instability mechanism.

  20. Emergency Response Equipment and Related Training: Airborne Radiological Computer System (Model II)

    SciTech Connect

    David P. Colton

    2007-02-28

    The materials included in the Airborne Radiological Computer System, Model-II (ARCS-II) were assembled with several considerations in mind. First, the system was designed to measure and record the airborne gamma radiation levels and the corresponding latitude and longitude coordinates, and to provide a first overview look of the extent and severity of an accident's impact. Second, the portable system had to be light enough and durable enough that it could be mounted in an aircraft, ground vehicle, or watercraft. Third, the system must control the collection and storage of the data, as well as provide a real-time display of the data collection results to the operator. The notebook computer and color graphics printer components of the system would only be used for analyzing and plotting the data. In essence, the provided equipment is composed of an acquisition system and an analysis system. The data can be transferred from the acquisition system to the analysis system at the end of the data collection or at some other agreeable time.

  1. Neutrino masses and leptogenesis in type I and type II seesaw models

    NASA Astrophysics Data System (ADS)

    Borah, Debasish; Das, Mrinal Kumar

    2014-07-01

    The baryon to photon ratio in the present Universe is very accurately measured to be (6.065±0.090)×10-10. We study the possible origin of this baryon asymmetry in the neutrino sector through the generic mechanism of baryogenesis through leptogenesis. We consider both the type I and type II seesaw origin of neutrino masses within the framework of left-right symmetric models (LRSM). Using the latest best-fit global neutrino oscillation data of mass squared differences, mixing angles and Dirac CP phase, we compute the predictions for baryon to photon ratio keeping the Majorana CP phases as free parameters for two different choices of lightest neutrino mass eigenvalue for both normal and inverted hierarchical patterns of neutrino masses. We do our calculation with and without lepton flavor effects being taken into account. We choose different diagonal Dirac neutrino mass matrix for different flavor effects in such a way that the lightest right-handed neutrino mass is in the appropriate range. We also study the predictions for baryon asymmetry when the neutrino masses arise from a combination of both type I and type II seesaw (with dominating type I term) and discriminate between several combinations of Dirac and Majorana CP phases by demanding successful predictions for baryon asymmetry.

  2. Bäcklund flux quantization in a model of electrodiffusion based on Painlevé II

    NASA Astrophysics Data System (ADS)

    Bracken, A. J.; Bass, L.; Rogers, C.

    2012-03-01

    A previously established model of steady one-dimensional two-ion electrodiffusion across a liquid junction is reconsidered. It involves three coupled first-order nonlinear ordinary differential equations and has the second-order Painlevé II equation at its core. Solutions are now grouped by Bäcklund transformations into infinite sequences, partially labelled by two Bäcklund invariants. Each sequence is characterized by evenly-spaced quantized fluxes of the two ionic species, and hence evenly-spaced quantization of the electric current density. Finite subsequences of exact solutions are identified, with positive ionic concentrations and quantized fluxes, starting from a solution with zero electric field found by Planck, and suggesting an interpretation as a ground state plus excited states of the system. Positivity of ionic concentrations is established whenever Planck’s charge-neutral boundary conditions apply. Exact solutions are obtained for the electric field and ionic concentrations in well-stirred reservoirs outside each face of the junction, enabling the formulation of more realistic boundary conditions. In an approximate form, these lead to radiation boundary conditions for Painlevé II. Illustrative numerical solutions are presented, and the problem of establishing compatibility of boundary conditions with the structure of flux-quantizing sequences is discussed.

  3. Predictions of B{sub c} meson decay emitting pseudoscalar and heavy scalar mesons using ISGW II model

    SciTech Connect

    Sharma, Neelesh; Verma, R. C.

    2010-11-01

    Two-body hadronic weak decays of B{sub c} meson emitting pseudoscalar and heavy scalar mesons are investigated using the Spectator Quark Model. Decay amplitudes are obtained using the factorization scheme; consequently, branching ratios are predicted in the Isgur-Scora-Grinstein-Wise (ISGW II) model.

  4. Dynamic spatially-explicit mass-balance modeling for targeted watershed phosphorus management II: Model Application

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Cost-effective nonpoint source phosphorus (P) control should target the land areas at greatest risk for P loss. We combined mass-balance modeling and geographic analysis to identify and map high-risk areas for P export by integrating long-term P input/output accounting with spatially variable physi...

  5. Experimental verification of a tank to tank He II transfer model with trade study results

    NASA Technical Reports Server (NTRS)

    Yuan, S. W. K.; Frederking, T. H. K.

    1990-01-01

    A computer program has been developed to study the thermodynamics of tank to tank superfluid helium transfer. The model includes a supply and a receiver tank connected by a transfer line. The convey of He II from one tank to the other is controlled by a fountain effect pump (FEP). Phase separators are present in both the supply and receiver tank to regulate the bath temperature. Description of this model has been published elsewhere. In the present paper, data from a transfer experiment are used to verify the accuracy of this model. The experiment consisted of an FEP made of a 2-micron sintered stainless steel porous plug. Superfluid has been transferred from a liquid helium bath into a glass beaker. Bath temperatures, flowrate and heater power records are available. These results are compared to the predictions of the computer program and good agreement is found between the two. This model is very useful for the study and design of superfluid transfer systems, e.g., the Superfluid Helium Tanker (SFHT) and the Particle Astrophysics Magnet Facility (ASTROMAG).

  6. Dislocation mechanism based model for stage II fatigue crack propagation rate

    NASA Technical Reports Server (NTRS)

    Mazumdar, P. K.

    1986-01-01

    Repeated plastic deformation, which of course depends on dislocation mechanism, at or near the crack tip leads to the fatigue crack propagation. By involving the theory of thermally activated flow and the cumulative plastic strain criterion, an effort is made here to model the stage II fatigue crack propagation rate in terms of the dislocation mechanism. The model, therefore, provides capability to ascertain: (1) the dislocation mechanism (and hence the near crack tip microstructures) assisting the crack growth, (2) the relative resistance of dislocation mechanisms to the crack growth, and (3) the fracture surface characteristics and its interpretation in terms of the dislocation mechanism. The local microstructure predicted for the room temperature crack growth in copper by this model is in good agreement with the experimental results taken from the literature. With regard to the relative stability of such dislocation mechanisms as the cross-slip and the dislocation intersection, the model suggests an enhancement of crack growth rate with an ease of cross-slip which in general promotes dislocation cell formation and is common in material which has high stacking fault energy (produces wavy slips). Cross-slip apparently enhances crack growth rate by promoting slip irreversibility and fracture surface brittleness to a greater degree.

  7. Survey of non-linear hydrodynamic models of type-II Cepheids

    NASA Astrophysics Data System (ADS)

    Smolec, R.

    2016-03-01

    We present a grid of non-linear convective type-II Cepheid models. The dense model grids are computed for 0.6 M⊙ and a range of metallicities ([Fe/H] = -2.0, -1.5, -1.0), and for 0.8 M⊙ ([Fe/H] = -1.5). Two sets of convective parameters are considered. The models cover the full temperature extent of the classical instability strip, but are limited in luminosity; for the most luminous models, violent pulsation leads to the decoupling of the outermost model shell. Hence, our survey reaches only the shortest period RV Tau domain. In the Hertzsprung-Russell diagram, we detect two domains in which period-doubled pulsation is possible. The first extends through the BL Her domain and low-luminosity W Vir domain (pulsation periods ˜2-6.5 d). The second domain extends at higher luminosities (W Vir domain; periods >9.5 d). Some models within these domains display period-4 pulsation. We also detect very narrow domains (˜10 K wide) in which modulation of pulsation is possible. Another interesting phenomenon we detect is double-mode pulsation in the fundamental mode and in the fourth radial overtone. Fourth overtone is a surface mode, trapped in the outer model layers. Single-mode pulsation in the fourth overtone is also possible on the hot side of the classical instability strip. The origin of the above phenomena is discussed. In particular, the role of resonances in driving different pulsation dynamics as well as in shaping the morphology of the radius variation curves is analysed.

  8. Chemometric investigation of complex equilibria in solution phase II: Sensitivity of chemical models for the interaction of AADH and FAH with Ni(II) in aqueous medium.

    PubMed

    Babu, A R; Krishna, D M; Rao, R S

    1993-12-01

    A detailed study of the species formed in the complex equilibria involving adipic acid dihydrazide (AADH)/2-furoic acid hydrazide (FAH) with Ni(II) using pH titration with glass electrode is performed. The results of modeling studies and effect of errors on the equilibrium constants of AADH/FAH with Ni(II) refined by the non-linear least squares program MINIQUAD75 are reported. Based on the expert system approach developed in our laboratory for the species formed from secondary formation data (n and n (H)), several preliminary chemical models were tested. For the four species identified (MLH, ML, ML(2)H, ML(2)), an exhaustive search of a different combination of models (15) was performed. Then other suspected minor species (ML(2)H(2), ML(3) and ML(3)H) were tested. The final best fit chemical model was found to contain ML(3)H to an extent of 3% along with the other four major species. In order to ascertain the accuracy of the stability constants and consequently distribution of the species, a detailed error analysis is attempted. As the existing least squares procedures cannot suppress the systematic errors, three-dimensional plots of the simultaneous effects of pH and TLO:TMO (1.5:1 to 5:1) on the percentage of species are drawn which are of immense use in arriving at optimum conditions for the preparation of a complex of definite stoichiometry. PMID:18965865

  9. Phase II monitoring of auto-correlated linear profiles using linear mixed model

    NASA Astrophysics Data System (ADS)

    Narvand, A.; Soleimani, P.; Raissi, Sadigh

    2013-05-01

    In many circumstances, the quality of a process or product is best characterized by a given mathematical function between a response variable and one or more explanatory variables that is typically referred to as profile. There are some investigations to monitor auto-correlated linear and nonlinear profiles in recent years. In the present paper, we use the linear mixed models to account autocorrelation within observations which is gathered on phase II of the monitoring process. We undertake that the structure of correlated linear profiles simultaneously has both random and fixed effects. The work enhanced a Hotelling's T 2 statistic, a multivariate exponential weighted moving average (MEWMA), and a multivariate cumulative sum (MCUSUM) control charts to monitor process. We also compared their performances, in terms of average run length criterion, and designated that the proposed control charts schemes could effectively act in detecting shifts in process parameters. Finally, the results are applied on a real case study in an agricultural field.

  10. Dynamics of stochastic predator-prey models with Holling II functional response

    NASA Astrophysics Data System (ADS)

    Liu, Qun; Zu, Li; Jiang, Daqing

    2016-08-01

    In this paper, we consider the dynamics of stochastic predator-prey models with Holling II functional response. For the stochastic systems, we firstly establish sufficient conditions for the existence of the globally positive solutions. Then we investigate the asymptotic moment estimations of the positive solutions and study the ultimately bounded in the mean of them. Thirdly, by constructing some suitable Lyapunov functions, we verify that there are unique stationary distributions and they are ergodic. The obtained results show that the systems still retain some stability in the sense of weak stability provided that the intensity of the white noise is relatively small. Finally, some numerical simulations are introduced to illustrate our main results.

  11. Structure of donor side components in photosystem II predicted by computer modelling.

    PubMed Central

    Svensson, B; Vass, I; Cedergren, E; Styring, S

    1990-01-01

    Thirty-one and eleven sequences for the photosystem II reaction centre proteins D1 and D2 respectively, were compared to identify conserved single amino acid residues and regions in the sequences. Both proteins are highly conserved. One important difference is that the lumenal parts of the D1 protein are more conserved than the corresponding parts in the D2 protein. The three-dimensional structures around the electron donors tyrosineZ and tyrosineD on the oxidizing side of photosystem II have been predicted by computer modelling using the photosynthetic reaction centre from purple bacteria as a framework. In the model the tyrosines occupy two cavities close to the lumenal surface of the membrane. They are symmetrically arranged around the primary donor P680 and the distances between the centre of the tyrosines and the closest Mg ion in P680 are around 14 A. Both tyrosineZ and tyrosineD are suggested to form a hydrogen bond with histidine 190 from the loop connecting helices C and D in the D1 and D2 proteins, respectively. The Mn cluster in the oxygen evolving complex has been localized by using known and estimated distances from the tyrosine radicals. It is suggested that a binding region for the Mn cluster is constituted by the lumenal ends of helices A and B and the loop connecting them in the D1 protein. This part of the D1 protein contains a large number of strictly conserved carboxylic acid residues and histidines which could participate in the Mn binding. There is little probability that the Mn cluster binds on the lumenal surface of the D2 protein. Images Fig. 2. Fig. 3. PMID:2192860

  12. Analysis of the impact of Seasat scatterometer data and horizontal resolution on GLA model simulations of the QE II storm

    NASA Technical Reports Server (NTRS)

    Lenzen, Allen J.; Johnson, Donald R.; Atlas, Robert

    1993-01-01

    The impact of the Seasat-A satellite scatterometer wind data and the increased horizontal resolution on the Goddard Laboratory for Atmospheres model predictions of the Queen Elizabeth II (QE II) storm of 9-11 September 1978 was evaluated for four different GLA model simulations of the QE II storm. It is shown that the largest impact on the simulation was caused by doubling the model's horizontal resolution from 4 deg x 5 deg to 2 deg x 2.5 deg. The increased resolution resulted in a storm track which was much closer to the one observed, with a much deeper surface development, a stronger mass circulation, stronger heating, and stronger increase of angular momentum.

  13. Detailed structural and assembly model of the type II secretion pilus from sparse data.

    PubMed

    Campos, Manuel; Nilges, Michaël; Cisneros, David A; Francetic, Olivera

    2010-07-20

    Many gram-negative bacteria secrete specific proteins via the type II secretion systems (T2SS). These complex machineries share with the related archaeal flagella and type IV pilus (T4P) biogenesis systems the ability to assemble thin, flexible filaments composed of small, initially inner membrane-localized proteins called "pilins." In the T2SS from Klebsiella oxytoca, periplasmic pseudopili that are essential for pullulanase (PulA) secretion extend beyond the bacterial surface and form pili when the major pilin PulG is overproduced. Here, we describe the detailed, experimentally validated structure of the PulG pilus generated from crystallographic and electron microscopy data by a molecular modeling approach. Two intermolecular salt bridges crucial for function were demonstrated using single and complementary charge inversions. Double-cysteine substitutions in the transmembrane segment of PulG led to position-specific cross-linking of protomers in assembled pili. These biochemical data provided information on residue distances in the filament that were used to derive a refined model of the T2SS pilus at pseudoatomic resolution. PulG is organized as a right-handed helix of subunits, consistent with protomer organization in gonococcal T4P. The conserved character of residues involved in key hydrophobic and electrostatic interactions within the major pseudopilin family supports the general relevance of this model for T2SS pseudopilus structure. PMID:20616068

  14. A comparative molecular field analysis and molecular modelling studies on pyridylimidazole type of angiotensin II antagonists.

    PubMed

    Yoo, S E; Kim, S K; Lee, S H; Yi, K Y; Lee, D W

    1999-12-01

    A large number of compounds known as "AII (Angiotensin II) antagonists" have been developed for the treatment of various heart diseases such as hypertension, congestive heart failure, and chronic renal failure. Most of the currently known AII receptor antagonists share a similar chemical structure, consisting of nitrogen atoms, a lipophilic alkyl side chain and an acidic group. As a new series, we have designed and synthesized various pyridylimidazole derivatives. In this report we would like to discuss the structure-activity relationship of these series of compounds using the comparative molecular field analysis (CoMFA) methods. We could come up with a good CoMFA model (cross-validated and conventional r2 values equal to 0.702 and 0.991, respectively) and the validity of the model was confirmed by synthesizing and measuring their biological activity of additional 6 compounds suggested by the model. This result provides additional information on the structural requirement for structurally diverse group of AII receptor antagonists. PMID:10658603

  15. FutureTox II: in vitro data and in silico models for predictive toxicology.

    PubMed

    Knudsen, Thomas B; Keller, Douglas A; Sander, Miriam; Carney, Edward W; Doerrer, Nancy G; Eaton, David L; Fitzpatrick, Suzanne Compton; Hastings, Kenneth L; Mendrick, Donna L; Tice, Raymond R; Watkins, Paul B; Whelan, Maurice

    2015-02-01

    FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo responses from in vitro and in silico data, and to define the goals for the future. Presentations and discussions were held on priority concerns such as predicting and modeling of metabolism, cell growth and differentiation, effects on sensitive subpopulations, and integrating data into risk assessment. Emerging trends in technologies such as stem cell-derived human cells, 3D organotypic culture models, mathematical modeling of cellular processes and morphogenesis, adverse outcome pathway development, and high-content imaging of in vivo systems were discussed. Although advances in moving towards an in vitro/in silico based risk assessment paradigm were apparent, knowledge gaps in these areas and limitations of technologies were identified. Specific recommendations were made for future directions and research needs in the areas of hepatotoxicity, cancer prediction, developmental toxicity, and regulatory toxicology. PMID:25628403

  16. Bianchi type-II models in the presence of perfect fluid and anisotropic dark energy

    NASA Astrophysics Data System (ADS)

    Kumar, Suresh; Akarsu, Özgür

    2012-06-01

    The spatially homogeneous but totally anisotropic and non-flat Bianchi type-II cosmological model has been studied in general relativity in the presence of two minimally interacting fluids; a perfect fluid as the matter fluid and a hypothetical anisotropic fluid as the dark energy fluid. The Einstein field equations have been solved by applying two kinematical Ansätze: we have assumed the variation law for the mean Hubble parameter that yields a constant value of the deceleration parameter, and one of the components of the shear tensor has been considered proportional to the mean Hubble parameter. We have particularly dwelled on the accelerating models with non-divergent expansion anisotropy as the Universe evolves. Yielding the anisotropic pressure, the fluid we consider in the context of dark energy can produce results that can be produced in the presence of isotropic fluid in accordance with the ΛCDM cosmology. However, the derived model gives additional opportunities by being able to allow kinematics that cannot be produced in the presence of fluids that yield only isotropic pressure. We have obtained well-behaving cases where the anisotropy of the expansion and the anisotropy of the fluid converge to finite values (include zero) in the late Universe. We have also showed that, although the metric we consider is totally anisotropic, the anisotropy of the dark energy is constrained to be axially symmetric, as long as the overall energy momentum tensor possesses zero shear stress.

  17. FutureTox II: In vitro Data and In Silico Models for Predictive Toxicology

    PubMed Central

    Knudsen, Thomas B.; Keller, Douglas A.; Sander, Miriam; Carney, Edward W.; Doerrer, Nancy G.; Eaton, David L.; Fitzpatrick, Suzanne Compton; Hastings, Kenneth L.; Mendrick, Donna L.; Tice, Raymond R.; Watkins, Paul B.; Whelan, Maurice

    2015-01-01

    FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo responses from in vitro and in silico data, and to define the goals for the future. Presentations and discussions were held on priority concerns such as predicting and modeling of metabolism, cell growth and differentiation, effects on sensitive subpopulations, and integrating data into risk assessment. Emerging trends in technologies such as stem cell-derived human cells, 3D organotypic culture models, mathematical modeling of cellular processes and morphogenesis, adverse outcome pathway development, and high-content imaging of in vivo systems were discussed. Although advances in moving towards an in vitro/in silico based risk assessment paradigm were apparent, knowledge gaps in these areas and limitations of technologies were identified. Specific recommendations were made for future directions and research needs in the areas of hepatotoxicity, cancer prediction, developmental toxicity, and regulatory toxicology. PMID:25628403

  18. Type-II seesaw dominance in nonsupersymmetric and split-supersymmetry SO(10) models and proton lifetime

    SciTech Connect

    Mohapatra, R. N.; Parida, Mina K.

    2011-11-01

    Recently type-II seesaw in a supersymmetricSO(10) framework has been found useful in explaining large solar and atmospheric mixing angles as well as a larger value of {theta}{sub 13} while unifying quark and lepton masses. An important question in these models is whether there exists consistency between coupling unification and type-II seesaw dominance. Scenarios where this consistency can be demonstrated have been given in a SUSY framework. In this paper we give examples where type-II dominance occurs in SO(10) models without supersymmetry but with additional TeV-scale particles and also in models with split-supersymmetry. Grand unification is realized in a two step process via breaking of SO(10) to SU(5) and then to a TeV-scale standard model supplemented by extra fields and an SU(5) Higgs multiplet 15{sub H} at a scale of about 10{sup 12} GeV to give a type-II seesaw. The predictions for proton lifetime in these models are in the range {tau}{sub p}{sup 0}=2x10{sup 35} yrs. to 6x10{sup 35} yrs. A number of recent numerical fits to GUT-scale fermion masses can be accommodated within this model.

  19. Viscoelastic Model for Lung Parenchyma for Multi-Scale Modeling of Respiratory System, Phase II: Dodecahedral Micro-Model

    SciTech Connect

    Freed, Alan D.; Einstein, Daniel R.; Carson, James P.; Jacob, Rick E.

    2012-03-01

    In the first year of this contractual effort a hypo-elastic constitutive model was developed and shown to have great potential in modeling the elastic response of parenchyma. This model resides at the macroscopic level of the continuum. In this, the second year of our support, an isotropic dodecahedron is employed as an alveolar model. This is a microscopic model for parenchyma. A hopeful outcome is that the linkage between these two scales of modeling will be a source of insight and inspiration that will aid us in the final year's activity: creating a viscoelastic model for parenchyma.

  20. The relationship between the WR classification and stellar models. II. The WN stars without hydrogen

    NASA Astrophysics Data System (ADS)

    Smith, Lindsey F.; Maeder, A.

    1998-06-01

    We consider the relationships between the classification parameters of WN stars in the new 3-dimensional classification of Smith et al. (1996) and the corresponding and related parameters that define stellar atmosphere models. Specifically, we consider: FWHM of HeII 4686 vs. v_infty ; hydrogen content by direct inspection vs. hydrogen content by modelling and vs. colour (b-v)_0; ionisation subclass and M_v; vs. effective temperature. From these data we argue that the WN b and only the WN b stars (i.e. stars with EW 5411 > 40 Angstroms \\ or FWHM 4686 > 30 Angstroms) are entirely free of hydrogen. For the WN b stars, we consider the relationships of EW 5411 and FWHM 4686 to the derived temperature T_*; the mass loss rate; and the surface mass flux. It appears that, to first approximation, the stars are a one-parameter family and the spectral classification criteria are sufficient to give an indication of the intrinsic colour, absolute magnitude (not very accurately), effective temperature T_* and terminal velocity. Theoretical models suggest that the critical parameter defining most of the properties of a WN b star is its present mass. However, the behaviour of FWHM 4686 suggests the presence of a second parameter that affects the mass loss rate and terminal velocity of the wind. We suggest that the second parameter may be either (or a combination of) the internal mean molecular weight or the rotation rate of the star. We further compare the relationships predicted by evolutionary models with those found for observed stars (using atmosphere models), highlighting the present difficulties in these comparisons.

  1. A Novel Mouse Model of a Patient Mucolipidosis II Mutation Recapitulates Disease Pathology*

    PubMed Central

    Paton, Leigh; Bitoun, Emmanuelle; Kenyon, Janet; Priestman, David A.; Oliver, Peter L.; Edwards, Benjamin; Platt, Frances M.; Davies, Kay E.

    2014-01-01

    Mucolipidosis II (MLII) is a lysosomal storage disorder caused by loss of N-acetylglucosamine-1-phosphotransferase, which tags lysosomal enzymes with a mannose 6-phosphate marker for transport to the lysosome. In MLII, the loss of this marker leads to deficiency of multiple enzymes and non-enzymatic proteins in the lysosome, leading to the storage of multiple substrates. Here we present a novel mouse model of MLII homozygous for a patient mutation in the GNPTAB gene. Whereas the current gene knock-out mouse model of MLII lacks some of the characteristic features of the human disease, our novel mouse model more fully recapitulates the human pathology, showing growth retardation, skeletal and facial abnormalities, increased circulating lysosomal enzymatic activities, intracellular lysosomal storage, and reduced life span. Importantly, MLII behavioral deficits are characterized for the first time, including impaired motor function and psychomotor retardation. Histological analysis of the brain revealed progressive neurodegeneration in the cerebellum with severe Purkinje cell loss as the underlying cause of the ataxic gait. In addition, based on the loss of Npc2 (Niemann-Pick type C 2) protein expression in the brain, the mice were treated with 2-hydroxypropyl-β-cyclodextrin, a drug previously reported to rescue Purkinje cell death in a mouse model of Niemann-Pick type C disease. No improvement in brain pathology was observed. This indicates that cerebellar degeneration is not primarily triggered by loss of Npc2 function. This study emphasizes the value of modeling MLII patient mutations to generate clinically relevant mouse mutants to elucidate the pathogenic molecular pathways of MLII and address their amenability to therapy. PMID:25107912

  2. Structure Prediction of Bis(amino acidato)copper(II) Complexes with a New Force Field for Molecular Modeling.

    PubMed

    Sabolović, Jasmina; Gomzi, Vjeran

    2009-07-14

    This article presents a new force field whose parameterization was based on experimental crystal data and quantum chemically obtained vacuum structures of a series of copper(II) complexes with aliphatic α-amino acids and their N-alkyl derivatives, along with the SPC/E water model. The ability of the new force field to reproduce and predict the structural properties of the copper(II) complexes in the gas phase, in simulated crystalline surroundings, and solvated in water is examined. Molecular dynamics (MD) simulations with the new force field yielded time-average structural coordinates of bis(glycinato)copper(II) [the only one of 25 modeled bis(amino acidato)copper(II) systems with published experimental structural data in aqueous solution at room temperature] within the experimental error values. The study of the cis-trans isomerization of bis(glycinato)copper(II) in aqueous medium at 300 K using the quantum chemical polarized continuum model revealed a small energy difference (5 kJ mol(-1)) between the solvated cis and trans minima, in line with the MD energy estimations. The new force field proved promising in predicting the association of the complexes in aqueous solution and formation of a nucleus of crystallization. PMID:26610018

  3. Towards multi-resolution global climate modeling with ECHAM6-FESOM. Part II: climate variability

    NASA Astrophysics Data System (ADS)

    Rackow, T.; Goessling, H. F.; Jung, T.; Sidorenko, D.; Semmler, T.; Barbi, D.; Handorf, D.

    2016-06-01

    This study forms part II of two papers describing ECHAM6-FESOM, a newly established global climate model with a unique multi-resolution sea ice-ocean component. While part I deals with the model description and the mean climate state, here we examine the internal climate variability of the model under constant present-day (1990) conditions. We (1) assess the internal variations in the model in terms of objective variability performance indices, (2) analyze variations in global mean surface temperature and put them in context to variations in the observed record, with particular emphasis on the recent warming slowdown, (3) analyze and validate the most common atmospheric and oceanic variability patterns, (4) diagnose the potential predictability of various climate indices, and (5) put the multi-resolution approach to the test by comparing two setups that differ only in oceanic resolution in the equatorial belt, where one ocean mesh keeps the coarse ~1° resolution applied in the adjacent open-ocean regions and the other mesh is gradually refined to ~0.25°. Objective variability performance indices show that, in the considered setups, ECHAM6-FESOM performs overall favourably compared to five well-established climate models. Internal variations of the global mean surface temperature in the model are consistent with observed fluctuations and suggest that the recent warming slowdown can be explained as a once-in-one-hundred-years event caused by internal climate variability; periods of strong cooling in the model (`hiatus' analogs) are mainly associated with ENSO-related variability and to a lesser degree also to PDO shifts, with the AMO playing a minor role. Common atmospheric and oceanic variability patterns are simulated largely consistent with their real counterparts. Typical deficits also found in other models at similar resolutions remain, in particular too weak non-seasonal variability of SSTs over large parts of the ocean and episodic periods of almost absent

  4. ANG II-induced hypertension in the VCD mouse model of menopause is prevented by estrogen replacement during perimenopause.

    PubMed

    Pollow, Dennis P; Romero-Aleshire, Melissa J; Sanchez, Jessica N; Konhilas, John P; Brooks, Heddwen L

    2015-12-15

    Premenopausal females are resistant to the development of hypertension, and this protection is lost after the onset of menopause, resulting in a sharp increase in disease onset and severity. However, it is unknown how a fluctuating ovarian hormone environment during the transition from perimenopause to menopause impacts the onset of hypertension, and whether interventions during perimenopause prevent disease onset after menopause. A gradual transition to menopause was induced by repeated daily injections of 4-vinylcyclohexene diepoxide (VCD). ANG II (800 ng·kg(-1)·min(-1)) was infused into perimenopausal and menopausal female mice for 14 days. A separate cohort of mice received 17β-estradiol replacement during perimenopause. ANG II infusion produced significantly higher mean arterial pressure (MAP) in menopausal vs. cycling females, and 17β-estradiol replacement prevented this increase. In contrast, MAP was not significantly different when ANG II was infused into perimenopausal and cycling females, suggesting that female resistance to ANG II-induced hypertension is intact during perimenopause. ANG II infusion caused a significant glomerular hypertrophy, and hypertrophy was not impacted by hormonal status. Expression levels of aquaporin-2 (AQP2), a collecting duct protein, have been suggested to reflect blood pressure. AQP2 protein expression was significantly downregulated in the renal cortex of the ANG II-infused menopause group, where blood pressure was increased. AQP2 expression levels were restored to control levels with 17β-estradiol replacement. This study indicates that the changing hormonal environment in the VCD model of menopause impacts the severity of ANG II-induced hypertension. These data highlight the utility of the ovary-intact VCD model of menopause as a clinically relevant model to investigate the physiological mechanisms of hypertension that occur in women during the transition into menopause. PMID:26491098

  5. The choline-depleted type II pneumonocyte. A model for investigating the synthesis of surfactant lipids.

    PubMed Central

    Anceschi, M M; Di Renzo, G C; Venincasa, M D; Bleasdale, J E

    1984-01-01

    When type II pneumonocytes from adult rats were maintained in a medium that lacked choline, the incorporation of [14C]glycerol into phosphatidylcholine was not greatly diminished during the period that the cells displayed characteristics of type II pneumonocytes. Cells that were maintained in choline-free medium that contained choline oxidase and catalase, however, became depleted of choline and subsequent synthesis of phosphatidylcholine by these cells was responsive to choline in the extracellular medium. Incorporation of [14C]glycerol into phosphatidylcholine by choline-depleted cells was stimulated maximally (approx. 6-fold) by extracellular choline at a concentration (0.05 mM) that also supported the greatest incorporation into phosphatidylglycerol. The incorporation of [14C]glycerol into other glycerophospholipids by choline-depleted cells was not increased by extracellular choline. When cells were incubated in the presence of [3H]cytidine, the choline-dependent stimulation of the synthesis of phosphatidylcholine and phosphatidylglycerol was accompanied by an increased recovery of [3H]CMP. This increased recovery of [3H]CMP reflected an increase in the intracellular amount of CMP from 48 +/- 9 to 76 +/- 16 pmol/10(6) cells. Choline-depleted cells that were exposed to [3H]choline contained [3H]CDP-choline as the principal water-soluble choline derivative. As the extracellular concentration of choline was increase, however, the amount of 3H in phosphocholine greatly exceeded that in all other water-soluble derivatives. Choline-depletion of cells resulted in an increase in the specific activity of CTP:phosphocholine cytidylyltransferase in cell homogenates (from 0.40 +/- 0.15 to 1.31 +/- 0.20 nmol X min-1 X mg of protein-1). These data are indicative that the biosynthesis of phosphatidylcholine is integrated with that of phosphatidylglycerol and are consistent with the proposed involvement of CMP in this integration. The choline-depleted type II pneumonocyte

  6. Analysis of TOPAZ II and SPACE-R space nuclear power plants using a modified thermionic model. Master's thesis

    SciTech Connect

    Habedank, O.D.

    1993-03-01

    Models based on the TDS thermionic diode model were developed for TOPAZ II and SPACER nuclear power systems. Several parameter studies were conducted with the TOPAZ II model. These determined system performance and efficiency while varying the following: (1) Coolant flow inlet temperatures. (2) Rate of coolant temperature change. (3) Power profile of the core. (4) Cesium reservoir temperature. Analysis of results indicate the model accurately represented the TOPAZ II system, underestimating published data by 10%. Coolant flow studies indicate that raising coolant temperatures up to 100 K higher increases system power by up to 5%. Additional increases in temperature result in gradual performance degradation. Varying the axial power profile of the core from the actual peaked profile to a flat profile results in a negligible 0.3% change in system performance. The peaked profile used in TOPAZ II produces the highest system efficiency of all the profiles modeled. The cesium pressure study indicates the system is operating above optimum cesium pressure and system performance is strongly dependent on cesium pressure. Increasing cesium reservoir temperature above design temperature by 30 K decreases system efficiency by 30%.

  7. Zn(II)-curcumin protects against hemorheological alterations, oxidative stress and liver injury in a rat model of acute alcoholism.

    PubMed

    Yu, Chuan; Mei, Xue-Ting; Zheng, Yan-Ping; Xu, Dong-Hui

    2014-03-01

    Curcumin can chelate metal ions, forming metallocomplexes. We compared the effects of Zn(II)-curcumin with curcumin against hemorheological alterations, oxidative stress and liver injury in a rat model of acute alcoholism. Oral administration of Zn(II)-curcumin dose-dependently prevented the ethanol-induced elevation of serum malondialdehyde (MDA) content and reductions in glutathione level and superoxide dismutase (SOD) activity. Zn(II)-curcumin also inhibited ethanol-induced liver injury. Additionally, Zn(II)-curcumin dose-dependently inhibited hemorheological abnormalities, including the ethanol-induced elevation of whole blood viscosity, plasma viscosity, blood viscosity at corrected hematocrit (45%), erythrocyte aggregation index, erythrocyte rigidity index and hematocrit. Compared to curcumin at the same dose, Zn(II)-curcumin more effectively elevated SOD activity, ameliorated liver injury and improved hemorheological variables. These results suggest that Zn(II)-curcumin protected the rats from ethanol-induced liver injury and hemorheological abnormalities via the synergistic effect of curcumin and zinc. PMID:24607687

  8. The treatment of mixing in core helium burning models - II. Constraints from cluster star counts

    NASA Astrophysics Data System (ADS)

    Constantino, Thomas; Campbell, Simon W.; Lattanzio, John C.; van Duijneveldt, Adam

    2016-03-01

    The treatment of convective boundaries during core helium burning is a fundamental problem in stellar evolution calculations. In the first paper of this series, we showed that new asteroseismic observations of these stars imply they have either very large convective cores or semiconvection/partially mixed zones that trap g modes. We probe this mixing by inferring the relative lifetimes of asymptotic giant branch (AGB) and horizontal branch (HB) from R2, the observed ratio of these stars in recent HST photometry of 48 Galactic globular clusters. Our new determinations of R2 are more self-consistent than those of previous studies and our overall calculation of R2 = 0.117 ± 0.005 is the most statistically robust now available. We also establish that the luminosity difference between the HB and the AGB clump is Δ log {L}_HB^AGB = 0.455 ± 0.012. Our results accord with earlier findings that standard models predict a lower R2 than is observed. We demonstrate that the dominant sources of uncertainty in models are the prescription for mixing and the stochastic effects that can result from its numerical treatment. The luminosity probability density functions that we derive from observations feature a sharp peak near the AGB clump. This constitutes a strong new argument against core breathing pulses, which broaden the predicted width of the peak. We conclude that the two mixing schemes that can match the asteroseismology are capable of matching globular cluster observations, but only if (i) core breathing pulses are avoided in models with a semiconvection/partially mixed zone, or (ii) that models with large convective cores have a particular depth of mixing beneath the Schwarzschild boundary during subsequent early-AGB `gravonuclear' convection.

  9. CBSD Version II component models of the IR celestial background. Technical report

    SciTech Connect

    Kennealy, J.P.; Glaudell, G.A.

    1990-12-07

    CBSD Version II addresses the development of algorithms and software which implement realistic models of all the primary celestial background phenomenologies, including solar system, galactic, and extra-galactic features. During 1990, the CBSD program developed and refined IR scene generation models for the zodiacal emission, thermal emission from asteroids and planets, and the galactic point source background. Chapters in this report are devoted to each of those areas. Ongoing extensions to the point source module for extended source descriptions of nebulae and HII regions are briefly discussed. Treatment of small galaxies will also be a natural extension of the current CBSD point source module. Although no CBSD module yet exists for interstellar IR cirrus, MRC has been working closely with the Royal Aerospace Establishment in England to achieve a data-base understanding of cirrus fractal characteristics. The CBSD modules discussed in Chapters 2, 3, and 4 are all now operational and have been employed to generate a significant variety of scenes. CBSD scene generation capability has been well accepted by both the IR astronomy community and the DOD user community and directly supports the SDIO SSGM program.

  10. Hierarchical coarse-graining model for photosystem II including electron and excitation-energy transfer processes.

    PubMed

    Matsuoka, Takeshi; Tanaka, Shigenori; Ebina, Kuniyoshi

    2014-03-01

    We propose a hierarchical reduction scheme to cope with coupled rate equations that describe the dynamics of multi-time-scale photosynthetic reactions. To numerically solve nonlinear dynamical equations containing a wide temporal range of rate constants, we first study a prototypical three-variable model. Using a separation of the time scale of rate constants combined with identified slow variables as (quasi-)conserved quantities in the fast process, we achieve a coarse-graining of the dynamical equations reduced to those at a slower time scale. By iteratively employing this reduction method, the coarse-graining of broadly multi-scale dynamical equations can be performed in a hierarchical manner. We then apply this scheme to the reaction dynamics analysis of a simplified model for an illuminated photosystem II, which involves many processes of electron and excitation-energy transfers with a wide range of rate constants. We thus confirm a good agreement between the coarse-grained and fully (finely) integrated results for the population dynamics. PMID:24418347

  11. Passive optical diagnostic of Xe propelled Hall thrusters. II. Collisional-radiative model

    SciTech Connect

    Karabadzhak, George F.; Chiu Yuhui; Dressler, Rainer A.

    2006-06-01

    A collisional radiative model is presented for analyzing the xenon-propelled Hall thruster optical radiation based on apparent electron and ion-impact emission cross sections associated with lines in the visible and near-infrared region of the spectrum. The emission cross sections of selected near-infrared emission lines are incorporated in a collisional-radiative model. The effect of stepwise excitation via metastable states on the derived line intensities for emissions from XeI 5p{sup 5}6p(6p{sup '}) levels is evaluated. Meanwhile, visible XeII emissions are shown to provide plasma densities at high electron temperature conditions. The electron temperature and spatial ion number density distribution were determined from the luminescence spectra measured in the discharge and plume near-field plasma of the Hall thruster, the TSNIIMASH D-55 anode layer thruster. The results are in good agreement with the probe measurement data and simulations reported in the literature for the same thruster. The analysis of the Hall thruster XeI near-infrared spectra demonstrates that the neglect of ion-atom collisions results in an erroneous electron temperature determination at electron temperatures below 10 eV.

  12. Modelling of Dynamic Responses of AN Automotive Fuel Rail System, Part II: Entire System

    NASA Astrophysics Data System (ADS)

    WU, S. F.; HU, Q.; STOTTLER, S.; RAGHUPATHI, R.

    2001-08-01

    The computer model developed for calculating pressure fluctuations inside an automotive fuel injector (Hu et al. Journal of Sound and Vibration (submitted)) is extended to the entire fuel rail system, which consists of six injectors, a pressure regulator, pressure damper, fuel pump, and torturous fuel supply and return lines. Since the pressure fluctuations generated inside any injector can propagate throughout the entire fuel rail system, the responses of all injectors are coupled. The presence of a pressure regulator may also affect the dynamic responses of the fuel rail system. In Part II of this paper, formulations for describing pressure fluctuations inside the injectors, pressure regulator, and fuel rails are derived and solved simultaneously. The effect of twists and turns of the fuel lines on the losses of fluid kinetic energy, and that of wave propagation throughout the fuel rail system are taken into account. The computer model thus developed is validated experimentally. Measurements are conducted on a test bench that simulates a real engine with injectors fired in a particular order. The calculated pressure fluctuations inside different injectors and fuel lines are compared with the measured data under various working conditions. Favorable agreements are obtained in all cases.

  13. Type II seesaw supersymmetric neutrino model for θ13≠0

    NASA Astrophysics Data System (ADS)

    Ahl Laamara, R.; Loualidi, M. A.; Saidi, E. H.

    2016-06-01

    Using the type II seesaw approach and properties of discrete flavor symmetry group representations, we build a supersymmetric A4×A3 neutrino model with θ13≠0 . After describing the basis of this model—which is beyond the minimal supersymmetric Standard Model—with a superfield spectrum containing flavons in A4×A3 representations, we first generate the tribimaximal neutrino mixing which is known to be in agreement with the mixing angles θ12 and θ23. Then, we give the scalar potential of the theory where the A3 discrete subsymmetry is used to avoid the so-called sequestering problem. We next study the deviation from the tribimaximal mixing matrix which is produced by perturbing the neutrino mass matrix with a nontrivial A4 singlet. Normal and inverted mass hierarchies are discussed numerically. We also study the breaking of A4 down to Z3 in the charged lepton sector, and use the branching ratio of the decay τ →μ μ e —which is allowed by the residual symmetry Z3—to get estimations on the mass of one of the flavons and the cutoff scale Λ of the model. Key words: Neutrino family symmetry, supersymmetry, deviation from TBM

  14. RF Cell Modeling and Experiments for Wakefield Minimization in DARHT-II

    NASA Astrophysics Data System (ADS)

    Nelson, Scott

    Electron beams of linear induction accelerators experience deflective forces caused by RF fields building up as a result of accelerating cavities of finite size. These forces can significantly effect the beam when a long linac composed of identical cells is assembled. Recent techniques in computational modeling, simulation, and experiments for 20 MeV DARHT-II (Dual Axis Radiographic Hydrodynamic Test) accelerator cells were found to reduce the wakefield impedance of the cells from 800 ohms/meter to 350 ohms/meter and experimental results confirm the results of the modeling efforts. Increased performance of the cell was obtained through a parametric study of the accelerator structure, materials, material tuning, and geometry. As a result of this effort, it was found that thickness-tuned ferrite produced a 50% deduction in the wakefield impedance in the low frequency band and was easily tunable based on the material thickness. It was also found that shaped metal sections allow for high-Q resonances to be de-tuned, thus decreasing the amplitude of the resonance and increasing the cell s performance. For the geometries used for this cell, a roughly 45 degree angle had the best performance in affecting the wakefield modes.

  15. A review on ROCK-II inhibitors: From molecular modelling to synthesis.

    PubMed

    Shah, Surmil; Savjani, Jignasa

    2016-05-15

    Rho kinase enzyme expressed in different disease conditions and involved in mediating vasoconstriction and vascular remodeling in the pathogenesis. There are two isoforms of Rho kinases, namely ROCK I and ROCK II, responsible for different physiological function due to difference in distribution, but almost similar in structure. The Rho kinase 2 belongs to AGC family and is widely distributed in brain, heart and muscles. It is responsible for contraction of vascular smooth muscles by calcium sensitization. Its defective and unwanted expression can lead to many medical conditions like multiple sclerosis, myocardial ischemia, inflammatory responses, etc. Many Rho kinase 1 and 2 inhibitors have been designed for Rho/Rho kinase pathway by use of molecular modeling studies. Most of the designed compounds have been modeled based on ROCK 1 enzyme. This article is focused on Rho kinase 2 inhibitors as there are many ways to improvise by use of Computer aided drug designing as very less quantum of research work carried out. Herein, the article highlights different stages of designing like docking, SAR and synthesis of ROCK inhibitors and recent advances. It also highlights future prospective to improve the activity. PMID:27080184

  16. Simulation and modeling of the Gamble II self-pinched ion beam transport experiment

    SciTech Connect

    Rose, D.V.; Ottinger, P.F.; Hinshelwood, D.D.

    1999-07-01

    Progress in numerical simulations and modeling of the self-pinched ion beam transport experiment at the Naval Research Laboratory (NRL) is reviewed. In the experiment, a 1.2-MeV, 100-kA proton beam enters a 1-m long, transport region filled with a low pressure gas (30--250 mTorr helium, or 1 Torr air). The time-dependent velocity distribution function of the injected ion beam is determined from an orbit code that uses a pinch-reflex ion diode model and the measured voltage and current from this diode on the Gamble II generator at NRL. This distribution function is used as the beam input condition for numerical simulations carried out using the hybrid particle-in-cell code IPROP. Results of the simulations will be described, and detailed comparisons will be made with various measurements, including line-integrated electron-density, proton-fluence, and beam radial-profile measurements. As observed in the experiment, the simulations show evidence of self-pinching for helium pressures between 35 and 80 mTorr. Simulations and measurements in 1 Torr air show ballistic transport. The relevance of these results to ion-driven inertial confinement fusion will be discussed.

  17. INFLUENCE OF TYPE II DIABETES, OBESITY, AND EXPOSURE TO 2, 3, 7, 8-TETRACHLORODIBENZO-P-DIOXIN (TCDD) EXPOSURE ON THE EXPRESSION OF HEPATIC CYP1A2 IN A MURIN MODEL OF TYPE II DIABETES

    EPA Science Inventory

    Influence of type II diabetes, obesity and exposure 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) exposure on the expression of hepatic CYPIA2 in a murine model of type II diabetes. SJ Godin', VM Richardson2, JJ Diliberto2, LS Birnbaum', MJ DeVito2; 'Curriculum In Toxicology, UNC-CH...

  18. Coronal and Transition-Region Structure in the RS Canum Venaticorum Binaries V711 Tauri, AR Lacertae, and II Pegasi. II. Energy-Balance Models

    NASA Astrophysics Data System (ADS)

    Griffiths, N. W.

    1999-06-01

    Models for the upper transition regions and coronae of the RS CVn binaries V711 Tau, AR Lac, and II Peg are presented. Empirical emission-measure distributions discussed in an associated paper are compared with those from theoretical models that assume an energy balance between optically thin radiative losses and conductive heating. The inadequacies of spherically symmetric, gravitationally bound models are highlighted, and this study focuses instead on energy-balance solutions in magnetic-loop geometries. The loop models reproduce the observed emission-measure distributions and electron densities using two families of structures. The hotter loops have peak temperatures of logTe~7.35 and heights of ~0.05R*, whereas the cooler loops have peak temperatures of logTe~6.9 and heights of ~0.15R*. The area coverage of the loops is consistent with photospheric spot patterns determined from photometry and Doppler imaging techniques, and the magnetic field strengths required to heat these loops agree with measured values. The ratio of conductive and radiative fluxes in the loop models are close to the value for a stable minimum energy-loss solution. Possible variations in the stellar Fe abundance, and their implications for the loop models, are also discussed.

  19. Spectroscopic and molecular modeling studies on binding of dorzolamide to bovine and human carbonic anhydrase II.

    PubMed

    Bijari, Nooshin; Ghobadi, Sirous; Mahdiuni, Hamid; Khodarahmi, Reza; Ghadami, Seyyed Abolghasem

    2015-09-01

    This report is a comparative evaluation on the interaction of dorzolamide (DZA) with bovine and human carbonic anhydrase II (bCA II and hCA II, respectively) using fluorimetry, UV-vis and circular dichroism (CD) spectroscopy as well as molecular docking and molecular dynamics studies. Fluorescence data obtained at different temperatures indicated that DZA quenched the intrinsic fluorescence of both enzymes through a static mechanism. Thermodynamic analysis of the quenching data revealed that hydrogen bonding and van der Waals interactions play important roles in drug binding. Calculations of the protein surface hydrophobicity (PSH) index, using 1-anilinonaphtalene-8-sulfonate, also indicated a decrease in PSH of the hCA II and minor increase in PSH value of the bCA II upon drug binding. The results of far- and near-UV CD experiments showed some alterations in the secondary and tertiary structures of both enzymes upon ligation. The structural changes induced by drug binding caused more reduction in the catalytic activity of hCA II than bCA II. Based on the experimental data and the possible binding mode revealed by molecular docking and molecular dynamic studies, we concluded that DZA binds stronger to hCA II active site cavity compared to bCA II. PMID:26093313

  20. Coordination of two high-affinity hexamer peptides to copper(II) and palladium(II) models of the peptide-metal chelation site on IMAC resins

    SciTech Connect

    Chen, Y.; Pasquinelli, R.; Ataai, M.; Koepsel, R.R.; Kortes, R.A.; Shepherd, R.E.

    2000-03-20

    The coordination of peptides Ser-Pro-His-His-Gly-Gly (SPHHGG) and (His){sub 6} (HHHHHH) to [Pd{sup II}(mida)(D{sub 2}O)] (mida{sup 2{minus}} = N-methyliminodiacetate) was studied by {sup 1}H NMR as model reactions for Cu{sup II}(iminodiacetate)-immobilized metal affinity chromatography (IMAC) sites. This is the first direct physical description of peptide coordination for IMAC. A three-site coordination is observed which involves the first, third, and fourth residues along the peptide chain. The presence of proline in position 2 of SPHHGG achieves the best molecular mechanics and bonding angles in the coordinated peptide and enhances the interaction of the serine amino nitrogen. Histidine coordination of H{sub 1}, H{sub 3}, and H{sub 4} of (His){sub 6} and H{sub 3} and H{sub 4} of SPHHGG was detected by {sup 1}H NMR contact shifts and H/D exchange of histidyl protons. The EPR spectra of SPHHGG and HHHHHH attached to the [Cu{sup II}(mida)] unit were obtained for additional modeling of IMAC sites. EPR parameters of the parent [Cu(mida)(H{sub 2}O){sub 2}] complex are representative: g{sub zz} = 2.31; g{sub yy} = 2.086; g{sub xx} = 2.053; A{sub {vert_bar}{vert_bar}} = 161 G; A{sub N} = 19G (three line, one N coupling). Increased rhombic distortion is detected relative to the starting aqua complex in the order of [Cu(mida)L] for distortion of HHHHHH > SPHHGG > (H{sub 2}O){sub 2}. The lowering of symmetry is also seen in the decrease in the N-shf coupling, presumably to the imino nitrogen of mida{sup 2{minus}} in the order 19 G (H{sub 2}O), 16 G (SPHHGG) and 11 G (HHHHHH). Visible spectra of the [Cu(mida)(SPHHGG)] and [Cu(mida)(HHHHHH)] as a function of pH indicate coordination of one histidyl donor at ca. 4.5, two in the range of pH 5--7, and two chelate ring attachments involving the terminal amino donor for SPHHGG or another histidyl donor of HHHHHH in the pH domain of 7--8 in agreement with the [Pd{sup II}(mida)L] derivatives which form the two

  1. Comprehensive Study of Educational Technology Programs Authorized from 1989-1992. Volume III: Level II Model Technology School Projects.

    ERIC Educational Resources Information Center

    Far West Lab. for Educational Research and Development, San Francisco, CA.

    This report, the third in a series of six, evaluates the 10 school districts that received grants from the California Department of Education to develop Level II Model Technology School (MTS) Projects intended to enhance instruction and student learning through a combination of curriculum improvement and integration of technology within a single…

  2. Model I & II Organizations: Examining Organizational Learning in Institutions Participating in the Academy for the Assessment of Student Learning

    ERIC Educational Resources Information Center

    Haywood, Antwione Maurice

    2012-01-01

    The Academy was an assessment enhancement program created by the HLC to help institutions strengthen and improve the assessment of student learning. Using a multiple case study approach, this study applies Argyis and Schon's (1976) Theory of Action to explore the espoused values and existence of Model I and II behavior characteristics. Argyis…

  3. Decays of bottom mesons emitting tensor mesons in the final state using the Isgur-Scora-Grinstein-Wise II model

    SciTech Connect

    Sharma, Neelesh; Verma, R. C.; Dhir, Rohit

    2011-01-01

    In this paper, we investigate phenomenologically two-body weak decays of the bottom mesons emitting pseudoscalar/vector meson and a tensor meson. Form factors are obtained using the improved Isgur-Scora-Grinstein-Wise II model. Consequently, branching ratios for the Cabibbo-Kobayashi-Maskawa-favored and Cabibbo-Kobayashi-Maskawa-suppressed decays are calculated.

  4. Extended-soft-core baryon-baryon model. II. Hyperon-nucleon interaction

    NASA Astrophysics Data System (ADS)

    Rijken, Th. A.; Yamamoto, Y.

    2006-04-01

    The YN results are presented from the extended soft-core (ESC) interactions. They consist of local and nonlocal potentials because of (i) one-boson exchanges (OBE), which are the members of nonets of pseudoscalar, vector, scalar, and axial mesons; (ii) diffractive exchanges; (iii) two-pseudoscalar exchange; and (iv) meson-pair exchange (MPE). Both the OBE and pair vertices are regulated by Gaussian form factors producing potentials with a soft behavior near the origin. The assignment of the cutoff masses for the baryon-baryon-meson (BBM) vertices is dependent on the SU(3) classification of the exchanged mesons for OBE and a similar scheme for MPE. The particular version of the ESC model, called ESC04 [T. A. Rijken, Phys. Rev. C 73, 044007 (2006)], describes nucleon-nucleon (NN) and hyperon-nucleon (YN) interactions in a unified way using broken SU(3) symmetry. Novel ingredients are the inclusion of (i) the axial-vector meson potentials and (ii) a zero in the scalar- and axial-vector meson form factors. These innovations made it possible for the first time to keep the parameters of the model close to the predictions of the 3P0 quark-antiquark creation model. This is also the case for the F/(F+D) ratios. Furthermore, the introduction of the zero helped to avoid the occurrence of unwanted bound states. Broken SU(3) symmetry serves to connect the NN and the YN channels, which leaves after fitting NN only a few free parameters for the determination of the YN interactions. In particular, the meson-baryon coupling constants are calculated via SU(3) using the coupling constants of the NN analysis as input. Here, as a novel feature, medium-strong flavor-symmetry breaking (FSB) of the coupling constants was allowed, using the 3P0 model with a Gell-Mann-Okubo hypercharge breaking for the BBM coupling. Very good fits for ESC model with and without FSB were obtained. The charge-symmetry breaking in the Λp and Λn channels, which is an SU(2) isospin breaking, is included in the

  5. Extended-soft-core baryon-baryon model. II. Hyperon-nucleon interaction

    SciTech Connect

    Rijken, Th.A.; Yamamoto, Y.

    2006-04-15

    The YN results are presented from the extended soft-core (ESC) interactions. They consist of local and nonlocal potentials because of (i) one-boson exchanges (OBE), which are the members of nonets of pseudoscalar, vector, scalar, and axial mesons; (ii) diffractive exchanges; (iii) two-pseudoscalar exchange; and (iv) meson-pair exchange (MPE). Both the OBE and pair vertices are regulated by Gaussian form factors producing potentials with a soft behavior near the origin. The assignment of the cutoff masses for the baryon-baryon-meson (BBM) vertices is dependent on the SU(3) classification of the exchanged mesons for OBE and a similar scheme for MPE. The particular version of the ESC model, called ESC04 [T. A. Rijken, Phys. Rev. C 73, 044007 (2006)], describes nucleon-nucleon (NN) and hyperon-nucleon (YN) interactions in a unified way using broken SU(3) symmetry. Novel ingredients are the inclusion of (i) the axial-vector meson potentials and (ii) a zero in the scalar- and axial-vector meson form factors. These innovations made it possible for the first time to keep the parameters of the model close to the predictions of the {sup 3}P{sub 0} quark-antiquark creation model. This is also the case for the F/(F+D) ratios. Furthermore, the introduction of the zero helped to avoid the occurrence of unwanted bound states. Broken SU(3) symmetry serves to connect the NN and the YN channels, which leaves after fitting NN only a few free parameters for the determination of the YN interactions. In particular, the meson-baryon coupling constants are calculated via SU(3) using the coupling constants of the NN analysis as input. Here, as a novel feature, medium-strong flavor-symmetry breaking (FSB) of the coupling constants was allowed, using the {sup 3}P{sub 0} model with a Gell-Mann-Okubo hypercharge breaking for the BBM coupling. Very good fits for ESC model with and without FSB were obtained. The charge-symmetry breaking in the {lambda}p and {lambda}n channels, which is an SU(2

  6. The Structure of the Homunculus. II. Modeling the Physical Conditions in η Carinae's Molecular Shell

    NASA Astrophysics Data System (ADS)

    Smith, Nathan; Ferland, Gary J.

    2007-02-01

    We present models that reproduce the observed double-shell structure of the Homunculus Nebula around η Carinae, including the stratification of infrared H2 and [Fe II] emission seen in data obtained with the Phoenix spectrograph on Gemini South, as well as the corresponding stratified grain temperature seen in thermal-infrared data. Tuning the model to match the observed shell thickness allows us to determine the threshold density that permits survival of H2. An average density of nH~=(0.5-1)×107 cm-3 in the outer zone is required to allow H2 to exist at all latitudes in the nebula, and for Fe+ to recombine to Fe0. This gives independent confirmation of the very large mass of the Homunculus, indicating a total of roughly 15-35 Msolar (although we note reasons why the lower end of this range is favored). At the interface between the atomic and molecular zones, we predict a sharp drop in the dust temperature, in agreement with the bimodal dust color temperatures observed in the two zones. In the outer molecular shell, the dust temperature drops to nearly the blackbody temperature, and becomes independent of grain size because of self-shielding at shorter UV wavelengths and increased heating at longer wavelengths. This relaxes constraints on large grain sizes suggested by near-blackbody color temperatures. Finally, from the strength of infrared [Fe II] emission in the inner shell we find that the gas-phase Fe abundance is roughly solar. This is astonishing in such a dusty object, where one normally expects gaseous iron to be depleted by 2 orders of magnitude. Based in part on observations obtained at the Gemini Observatory, which is operated by AURA, under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (US), the Particle Physics and Astronomy Research Council (UK), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), CNPq (Brazil), and CONICET (Argentina).

  7. Angiotensin II type 1 receptor antagonists in animal models of vascular, cardiac, metabolic and renal disease.

    PubMed

    Michel, Martin C; Brunner, Hans R; Foster, Carolyn; Huo, Yong

    2016-08-01

    We have reviewed the effects of angiotensin II type 1 receptor antagonists (ARBs) in various animal models of hypertension, atherosclerosis, cardiac function, hypertrophy and fibrosis, glucose and lipid metabolism, and renal function and morphology. Those of azilsartan and telmisartan have been included comprehensively whereas those of other ARBs have been included systematically but without intention of completeness. ARBs as a class lower blood pressure in established hypertension and prevent hypertension development in all applicable animal models except those with a markedly suppressed renin-angiotensin system; blood pressure lowering even persists for a considerable time after discontinuation of treatment. This translates into a reduced mortality, particularly in models exhibiting marked hypertension. The retrieved data on vascular, cardiac and renal function and morphology as well as on glucose and lipid metabolism are discussed to address three main questions: 1. Can ARB effects on blood vessels, heart, kidney and metabolic function be explained by blood pressure lowering alone or are they additionally directly related to blockade of the renin-angiotensin system? 2. Are they shared by other inhibitors of the renin-angiotensin system, e.g. angiotensin converting enzyme inhibitors? 3. Are some effects specific for one or more compounds within the ARB class? Taken together these data profile ARBs as a drug class with unique properties that have beneficial effects far beyond those on blood pressure reduction and, in some cases distinct from those of angiotensin converting enzyme inhibitors. The clinical relevance of angiotensin receptor-independent effects of some ARBs remains to be determined. PMID:27130806

  8. A plane stress finite element model for elastic-plastic mode I/II crack growth

    NASA Astrophysics Data System (ADS)

    James, Mark Anthony

    A finite element program has been developed to perform quasi-static, elastic-plastic crack growth simulations. The model provides a general framework for mixed-mode I/II elastic-plastic fracture analysis using small strain assumptions and plane stress, plane strain, and axisymmetric finite elements. Cracks are modeled explicitly in the mesh. As the cracks propagate, automatic remeshing algorithms delete the mesh local to the crack tip, extend the crack, and build a new mesh around the new tip. State variable mapping algorithms transfer stresses and displacements from the old mesh to the new mesh. The von Mises material model is implemented in the context of a non-linear Newton solution scheme. The fracture criterion is the critical crack tip opening displacement, and crack direction is predicted by the maximum tensile stress criterion at the crack tip. The implementation can accommodate multiple curving and interacting cracks. An additional fracture algorithm based on nodal release can be used to simulate fracture along a horizontal plane of symmetry. A core of plane strain elements can be used with the nodal release algorithm to simulate the triaxial state of stress near the crack tip. Verification and validation studies compare analysis results with experimental data and published three-dimensional analysis results. Fracture predictions using nodal release for compact tension, middle-crack tension, and multi-site damage test specimens produced accurate results for residual strength and link-up loads. Curving crack predictions using remeshing/mapping were compared with experimental data for an Arcan mixed-mode specimen. Loading angles from 0 degrees to 90 degrees were analyzed. The maximum tensile stress criterion was able to predict the crack direction and path for all loading angles in which the material failed in tension. Residual strength was also accurately predicted for these cases.

  9. Dinuclear zinc(II) complexes with hydrogen bond donors as structural and functional phosphatase models.

    PubMed

    Bosch, Simone; Comba, Peter; Gahan, Lawrence R; Schenk, Gerhard

    2014-09-01

    It is becoming increasingly apparent that the secondary coordination sphere can have a crucial role in determining the functional properties of biomimetic metal complexes. We have therefore designed and prepared a variety of ligands as metallo-hydrolase mimics, where hydrogen bonding in the second coordination sphere is able to influence the structure of the primary coordination sphere and the substrate binding. The assessment of a structure-function relationship is based on derivates of 2,6-bis{[bis(pyridin-2-ylmethyl)amino]methyl}-4-methylphenol (HBPMP = HL(1)) and 2-{[bis(pyridin-2-ylmethyl)amino]methyl}-6-{[(2-hydroxybenzyl)(pyridin-2-ylmethyl)amino]methyl}-4-methylphenol (H2BPBPMP = H2L(5)), well-known phenolate-based ligands for metallo-hydrolase mimics. The model systems provide similar primary coordination spheres but site-specific modifications in the secondary coordination sphere. Pivaloylamide and amine moieties were chosen to mimic the secondary coordination sphere of the phosphatase models, and the four new ligands H3L(2), H3L(3), HL(4), and H4L(6) vary in the type and geometric position of the H-bond donors and acceptors, responsible for the positioning of the substrate and release of the product molecules. Five dinuclear Zn(II) complexes were prepared and structurally characterized in the solid, and four also in solution. The investigation of the phosphatase activity of four model complexes illustrates the impact of the H-bonding network: the Michaelis-Menten constants (catalyst-substrate binding) for all complexes that support hydrogen bonding are smaller than for the reference complex, and this generally leads to higher catalytic efficiency and higher turnover numbers. PMID:25119813

  10. Modeling ecological data in soil ecosystems: A demonstration for heavy metal transport by earthworms using Stella II{trademark}

    SciTech Connect

    Johnston, J.M.; Tomlin, A.D.; Protz, R. ||

    1995-06-01

    Various modeling approaches have been developed for use in aquatic systems, but few exist for terrestrial systems. Using the modeling application software, Stella II{trademark}, we incorporated field data to parameterize the storage compartments and flux rates amongst compartments. This software is intuitive and easy to master yet robust in its application to many types of ecological systems. The applicability of Stella II{trademark} to modeling field data was demonstrated using contaminant cadmium residues as tracers of sludge applications to land near Guelph, Canada. Earthworms were found to be very significant in transporting the Cd (and the sludge) in this soil ecosystem. The utility of this modeling procedure can be extended to carbon and nutrient cycling as well as xenobiotics such as heavy metals and pesticides to predict their transport in soil ecosystems.

  11. Salt II: Illusion and Reality. World Order Models Project. Working Paper Number Nine.

    ERIC Educational Resources Information Center

    Johansen, Robert C.

    The document discusses miscalculations by public officials, arms control experts, journalists, and the general public regarding the Strategic Arms Limitation Talks; assesses the Salt II treaty; and suggests criteria for appraising Salt II. The objective is to stimulate research, education, dialogue, and political action which will contribute to a…

  12. Search for non-standard model signatures in the WZ/ZZ final state at CDF run II

    SciTech Connect

    Norman, Matthew

    2009-01-01

    This thesis discusses a search for non-Standard Model physics in heavy diboson production in the dilepton-dijet final state, using 1.9 fb -1 of data from the CDF Run II detector. New limits are set on the anomalous coupling parameters for ZZ and WZ production based on limiting the production cross-section at high š. Additionally limits are set on the direct decay of new physics to ZZ andWZ diboson pairs. The nature and parameters of the CDF Run II detector are discussed, as are the influences that it has on the methods of our analysis.

  13. Modeling of fluidized-bed combustion of coal: Phase II, final reports. Volume III. Model predictions and results

    SciTech Connect

    Louis, J.F.; Tung, S.E.

    1980-10-01

    This document is the third of a seven volume series of our Phase II Final Report. This volume deals with parametric studies carried out using the FBC model. A comparison with available pilot plant data is included where such data are available. This volume in essence documents model performance; describing predictions on bubble growth, combustion characteristics, sulfur capture, heat transfer and related parameters. The model has approximately forty input variables which are at the disposal of the user. The user has the option to change a few or all of these input variables. In the parametric studies reported here, a large number of input variables whose variation is less critical to the predicted results, were maintained constant at the default values. On the other hand, those parameters whose selection is very important in design and operation of the FBC's were varied in suitable operating regions. The chief among such parameters are: bed temperature, coal feed size distribution (2 parameters), average bed-sorbent size, calcium to sulfur molar ratio, superficial velocity, excess air fraction, and bed weight (or bed height). The computations for obtaining the parametric relationships are based upon selection of a geometrical design for the combustor. Bed cross-section is 6' x 6', bed height is 4', and the freeboard height is 16'. The heat transfer tubes have 2'' OD, a pitch of 10'', and are located on an equilateral triangle pattern. The air distributor is a perforated plate with 0.1'' diameter holes on a rectangular grid with 0.75'' center-to-center spacing.

  14. Modeling Pb (II) adsorption from aqueous solution by ostrich bone ash using adaptive neural-based fuzzy inference system.

    PubMed

    Amiri, Mohammad J; Abedi-Koupai, Jahangir; Eslamian, Sayed S; Mousavi, Sayed F; Hasheminejad, Hasti

    2013-01-01

    To evaluate the performance of Adaptive Neural-Based Fuzzy Inference System (ANFIS) model in estimating the efficiency of Pb (II) ions removal from aqueous solution by ostrich bone ash, a batch experiment was conducted. Five operational parameters including adsorbent dosage (C(s)), initial concentration of Pb (II) ions (C(o)), initial pH, temperature (T) and contact time (t) were taken as the input data and the adsorption efficiency (AE) of bone ash as the output. Based on the 31 different structures, 5 ANFIS models were tested against the measured adsorption efficiency to assess the accuracy of each model. The results showed that ANFIS5, which used all input parameters, was the most accurate (RMSE = 2.65 and R(2) = 0.95) and ANFIS1, which used only the contact time input, was the worst (RMSE = 14.56 and R(2) = 0.46). In ranking the models, ANFIS4, ANFIS3 and ANFIS2 ranked second, third and fourth, respectively. The sensitivity analysis revealed that the estimated AE is more sensitive to the contact time, followed by pH, initial concentration of Pb (II) ions, adsorbent dosage, and temperature. The results showed that all ANFIS models overestimated the AE. In general, this study confirmed the capabilities of ANFIS model as an effective tool for estimation of AE. PMID:23383640

  15. Human mast cells decrease SLPI levels in type II – like alveolar cell model, in vitro

    PubMed Central

    Hollander, Camilla; Nyström, Max; Janciauskiene, Sabina; Westin, Ulla

    2003-01-01

    Background Mast cells are known to accumulate at sites of inflammation and upon activation to release their granule content, e.g. histamine, cytokines and proteases. The secretory leukocyte protease inhibitor (SLPI) is produced in the respiratory mucous and plays a role in regulating the activity of the proteases. Result We have used the HMC-1 cell line as a model for human mast cells to investigate their effect on SLPI expression and its levels in cell co-culture experiments, in vitro. In comparison with controls, we found a significant reduction in SLPI levels (by 2.35-fold, p < 0.01) in a SLPI-producing, type II-like alveolar cell line, (A549) when co-cultured with HMC-1 cells, but not in an HMC-1-conditioned medium, for 96 hours. By contrast, increased SLPI mRNA expression (by 1.58-fold, p < 0.05) was found under the same experimental conditions. Immunohistochemical analysis revealed mast cell transmigration in co-culture with SLPI-producing A549 cells for 72 and 96 hours. Conclusion These results indicate that SLPI-producing cells may assist mast cell migration and that the regulation of SLPI release and/or consumption by mast cells requires interaction between these cell types. Therefore, a "local relationship" between mast cells and airway epithelial cells might be an important step in the inflammatory response. PMID:12952550

  16. Annotation of genomics data using bidirectional hidden Markov models unveils variations in Pol II transcription cycle

    PubMed Central

    Zacher, Benedikt; Lidschreiber, Michael; Cramer, Patrick; Gagneur, Julien; Tresch, Achim

    2014-01-01

    DNA replication, transcription and repair involve the recruitment of protein complexes that change their composition as they progress along the genome in a directed or strand-specific manner. Chromatin immunoprecipitation in conjunction with hidden Markov models (HMMs) has been instrumental in understanding these processes, as they segment the genome into discrete states that can be related to DNA-associated protein complexes. However, current HMM-based approaches are not able to assign forward or reverse direction to states or properly integrate strand-specific (e.g., RNA expression) with non-strand-specific (e.g., ChIP) data, which is indispensable to accurately characterize directed processes. To overcome these limitations, we introduce bidirectional HMMs which infer directed genomic states from occupancy profiles de novo. Application to RNA polymerase II-associated factors in yeast and chromatin modifications in human T cells recovers the majority of transcribed loci, reveals gene-specific variations in the yeast transcription cycle and indicates the existence of directed chromatin state patterns at transcribed, but not at repressed, regions in the human genome. In yeast, we identify 32 new transcribed loci, a regulated initiation–elongation transition, the absence of elongation factors Ctk1 and Paf1 from a class of genes, a distinct transcription mechanism for highly expressed genes and novel DNA sequence motifs associated with transcription termination. We anticipate bidirectional HMMs to significantly improve the analyses of genome-associated directed processes. PMID:25527639

  17. Vitamin C Depletion in Prenatal Guinea Pigs as a Model of Lissencephaly Type II.

    PubMed

    Čapo, I; Hinić, N; Lalošević, D; Vučković, N; Stilinović, N; Marković, J; Sekulić, S

    2015-11-01

    Humans and guinea pigs are unable to produce vitamin C, with deficiency resulting in a well-known disorder of collagen synthesis. Pial basement membrane structure preservation is essential in the proper migration of neurons. In our study, intrauterine deprivation of vitamin C in guinea pig fetuses led to a collagen synthesis disorder, weakness, and finally a breach of pial basement membrane. We found excessive migration of the external germinal layer cells into the subarachnoid space of the cerebellum through defects in the pial basement membrane. The changes ranged from focal rupture of pial basement membranes to their complete disintegration. The loss of proper folia formation resulted in macroscopically visible flattening of the cerebellar surface. Different grades of dysplastic changes in the folia of the cerebellar cortex were observed in 2 experimental groups assigned different limits to mark the time of commencement and duration of vitamin C deprivation. The most severe form of dysplastic changes was characterized by marked irregularity of the cerebellar cortex similar to that in lissencephaly type II. Thus, prenatal vitamin C deficiency represents a novel animal model to study the effects of collagen synthesis on development of breaches in the pial basement membrane, disordered migration of neurons, dysplasia of cerebellar cortex, and the pathogenesis of lissencephaly. PMID:25487414

  18. Damage around the ion path in cellulose triacetate. II. A track model

    NASA Astrophysics Data System (ADS)

    Decossas, J. L.; Vareille, J. C.; Moliton, J. P.; Teyssier, J. L.

    1984-07-01

    In this paper, a model of an ion track is proposed. It is justified by experimental results obtained by electron microscopy. These results show that a track is composed of two parts: (i) a core in which the material is totally destroyed, and (ii) a ``halo'' in which the damage decreases when the distance from the ion path increases. The overall results given in paper I and the calculation of deposited energy density of Fain [J. Fain, M. Monnin, and M. Montret, Proceedings of the 8th International Conference on Nuclear Photo., S.S.N.T.D., Bucarest (1972), p. 34, and J. Fain, M. Monnin, and M. Montret, Radiat. Res. 57, 379 (1974)] led us to the volume density of free radicals at every point inside the latent track. The core radius is established for ions of Z≤18 and E≤10 MeV/amu. A great density of damage close to the ion path is shown, and the influence of this phenomenon on track etching is studied.

  19. Combined chelation of lead (II) by deferasirox and deferiprone in rats as biological model.

    PubMed

    Balooch, F Dahooee; Fatemi, S J; Iranmanesh, M

    2014-02-01

    In order to investigate the capability of two chelators deferasirox (DFX or ICL670) and deferiprone (L1) in removing lead from the body, the present research was performed. Two does levels of 40 and 80 mg/kg body weight of lead (II) chloride was given to rats as biological model for 45 days. After 45 days, some toxicity symptoms were observed in rats such as loss of hair and weight, appearance of red dots around eyes, weakness and irritability. After lead application, chelation therapy with DFX and L1 as mono and combined (DFX, L1 and DFX + L1) was done for 10 days. After chelation therapy, lead level in different tissues reduced. The combined chelation therapy results showed that these chelators are able to remove lead from the body and toxicity symptoms decreased. The combined therapy results (DFX + L1) show higher efficacy and lower toxicity compared to single therapies. PMID:24309925

  20. VISA-II sensitivity study of code calculations: Input and analytical model parameters

    SciTech Connect

    Simonen, E.P.; Johnson, K.I.; Simonen, F.A.; Liebetrau, A.M.

    1986-11-01

    The Vessel Integrity Simulation Analysis (VISA-II) code was developed to allow calculations of the failure probability of a reactor pressure vessel subject to defined pressure/temperature transients. A version of the code, revised by Pacific Northwest Laboratory for the US Nuclear Regulatory Commission, was used to evaluate the sensitivities of calculated through-wall flaw probability to material, flaw and calculational assumptions. Probabilities were more sensitive to flaw assumptions than to material or calculational assumptions. Alternative flaw assumptions changed the probabilities by one to two orders of magnitude, whereas alternative material assumptions typically changed the probabilities by a factor of two or less. Flaw shape, flaw through-wall position and flaw inspection were sensitivities examined. Material property sensitivities included the assumed distributions in copper content and fracture toughness. Methods of modeling flaw propagation that were evaluated included arrest/reinitiation toughness correlations, multiple toughness values along the length of a flaw, flaw jump distance for each computer simulation and added error in estimating irradiated properties caused by the trend curve correlation error.

  1. Synthesis, spectroscopic characterization and molecular modeling of a tetranuclear platinum(II) complex with thiazolidine-4-carboxylic acid

    NASA Astrophysics Data System (ADS)

    Corbi, Pedro P.; Formiga, André L. B.; Bonk, Fábio A.; Quintão, Frederico A.; Ferraresi, Diego K. D.; Lustri, Wilton R.; Massabni, Antonio C.

    2012-07-01

    The synthesis, spectroscopic characterization and molecular modeling of a novel tetranuclear platinum(II) complex with thiazolidine-4-carboxylic acid (THC) are described. Elemental analysis is consistent with the composition PtCl2C4H7NO2S·H2O. Infrared (IR) spectroscopic results and solid-state 13C and 15N nuclear magnetic resonance (NMR) data indicate coordination of the ligand to Pt(II) through the nitrogen and sulfur atoms. The square planar geometry of the platinum(II) complex is completed by chlorine atoms. Density functional theory (DFT) suggests the formation of a tetrameric cluster as the most probable structure, where each THC molecule bridges between two metal centers. The compound is insoluble in water.

  2. Validated Competing Event Model for the Stage I-II Endometrial Cancer Population

    SciTech Connect

    Carmona, Ruben; Gulaya, Sachin; Murphy, James D.; Rose, Brent S.; Wu, John; Noticewala, Sonal; McHale, Michael T.; Yashar, Catheryn M.; Vaida, Florin; Mell, Loren K.

    2014-07-15

    Purpose/Objectives(s): Early-stage endometrial cancer patients are at higher risk of noncancer mortality than of cancer mortality. Competing event models incorporating comorbidity could help identify women most likely to benefit from treatment intensification. Methods and Materials: 67,397 women with stage I-II endometrioid adenocarcinoma after total hysterectomy diagnosed from 1988 to 2009 were identified in Surveillance, Epidemiology, and End Results (SEER) and linked SEER-Medicare databases. Using demographic and clinical information, including comorbidity, we sought to develop and validate a risk score to predict the incidence of competing mortality. Results: In the validation cohort, increasing competing mortality risk score was associated with increased risk of noncancer mortality (subdistribution hazard ratio [SDHR], 1.92; 95% confidence interval [CI], 1.60-2.30) and decreased risk of endometrial cancer mortality (SDHR, 0.61; 95% CI, 0.55-0.78). Controlling for other variables, Charlson Comorbidity Index (CCI) = 1 (SDHR, 1.62; 95% CI, 1.45-1.82) and CCI >1 (SDHR, 3.31; 95% CI, 2.74-4.01) were associated with increased risk of noncancer mortality. The 10-year cumulative incidences of competing mortality within low-, medium-, and high-risk strata were 27.3% (95% CI, 25.2%-29.4%), 34.6% (95% CI, 32.5%-36.7%), and 50.3% (95% CI, 48.2%-52.6%), respectively. With increasing competing mortality risk score, we observed a significant decline in omega (ω), indicating a diminishing likelihood of benefit from treatment intensification. Conclusion: Comorbidity and other factors influence the risk of competing mortality among patients with early-stage endometrial cancer. Competing event models could improve our ability to identify patients likely to benefit from treatment intensification.

  3. Assessment and modelling of Ni(II) retention by an ion-imprinted polymer: application in natural samples.

    PubMed

    Lenoble, Véronique; Meouche, Walid; Laatikainen, Katri; Garnier, Cédric; Brisset, Hugues; Margaillan, André; Branger, Catherine

    2015-06-15

    Three novel Ni(II)-Ion-Imprinted Polymer (IIP) were synthesized by precipitation polymerization of ethylene glycol dimethacrylate (crosslinker) with a complex of nickel(II) and vinylbenzyl iminodiacetic acid (VbIDA). The three IIPs were prepared with various mixtures of porogen solvents: methanol, methanol/2-methoxyethanol and methanol/acetonitrile (IIP1, IIP2 and IIP3, respectively). Non-Imprinted Polymers (NIP1, NIP2 and NIP3) were prepared as control polymers in similar conditions but with pure VbIDA instead of VbIDA-Ni. These polymers were characterized by FTIR, BET, SEM and tested for their efficiency and selectivity in Ni(II) retention. The most efficient (IIP1, around 12 mg g(-1) of nickel) was then positively checked for Ni(II) retention in presence of some competing species over a wide range of concentration. Finally Ni(II) retention by IIP1 was successfully demonstrated in natural samples. The modelling of the different experiments (Langmuir, Freundlich but also PROSECE and WHAM VII, frequently used in environmental studies) allowed demonstrating the presence of completely different binding sites when considering the ion-imprinted polymer and the non-imprinted one, and therefore led to a better understanding of what the imprinting effect is. PMID:25771289

  4. Bulk Scattering Properties for the Remote Sensing of Ice Clouds. Part II: Narrowband Models.

    NASA Astrophysics Data System (ADS)

    Baum, Bryan A.; Yang, Ping; Heymsfield, Andrew J.; Platnick, Steven; King, Michael D.; Hu, Y.-X.; Bedka, Sarah T.

    2005-12-01

    This study examines the development of bulk single-scattering properties of ice clouds, including single-scattering albedo, asymmetry factor, and phase function, for a set of 1117 particle size distributions obtained from analysis of the First International Satellite Cloud Climatology Project Regional Experiment (FIRE)-I, FIRE-II, Atmospheric Radiation Measurement Program intensive observation period, Tropical Rainfall Measuring Mission Kwajalein Experiment (KWAJEX), and the Cirrus Regional Study of Tropical Anvils and Cirrus Layers (CRYSTAL) Florida Area Cirrus Experiment (FACE) data. The primary focus is to develop band-averaged models appropriate for use by the Moderate Resolution Imaging Spectroradiometer (MODIS) imager on the Earth Observing System Terra and Aqua platforms, specifically for bands located at wavelengths of 0.65, 1.64, 2.13, and 3.75 μm. The results indicate that there are substantial differences in the bulk scattering properties of ice clouds formed in areas of deep convection and those that exist in areas of much lower updraft velocities. Band-averaged bulk scattering property results obtained from a particle-size-dependent mixture of ice crystal habits are compared with those obtained assuming only solid hexagonal columns. The single-scattering albedo is lower for hexagonal columns than for a habit mixture for the 1.64-, 2.13-, and 3.75-μm bands, with the differences increasing with wavelength. In contrast, the asymmetry factors obtained from the habit mixture and only the solid hexagonal column are most different at 0.65 μm, with the differences decreasing as wavelength increases. At 3.75 μm, the asymmetry factor results from the two habit assumptions are almost indistinguishable. The asymmetry factor, single-scattering albedo, and scattering phase functions are also compared with the MODIS version-1 (V1) models. Differences between the current and V1 models can be traced to the microphysical models and specifically to the number of both

  5. Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: Synthesis, spectroscopic characterization, molecular modeling and fungicidal study

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Gautam, Seema; Kumar, Amit; Madan, Molly

    2015-02-01

    Complexes of nickel(II), and copper(II) were synthesized with pantadentate ligand i.e. 3,3‧-thiodipropionicacid-bis(5-amino-1,3,4-thiadiazole-2-thiol) (L). The ligand was synthesized by the condensation of thiodipropionic acid and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio, respectively. Synthesized ligand was characterized by elemental analysis, mass, 1H NMR, IR, and molecular modeling. All the complexes were characterized by elemental analysis, molar conductance, magnetic moment, IR, electronic spectra, ESR, and molecular modeling. The newly synthesized complexes possessed general composition [M(L)X2] where M = Ni(II), Cu(II), L = pantadentate ligand and X = Cl-, CH3COO-. The IR spectral data indicated that the ligand behaved as a pantadentate ligand and coordinated to the metal ion through N2S3 donor atoms. The molar conductance value of Ni(II), and Cu(II) complexes in DMSO corresponded to their electrolytic behavior. On the basis of spectral study, octahedral and tetragonal geometry was assigned for Ni(II) and Cu(II) complexes, respectively. In vitro fungicidal study of ligand and its complexes was investigated against fungi Candida albicans, Candida parapsilosis, Candidia krusei, and Candida tropicalis by means of well diffusion method.

  6. Final Report: Phase II Nevada Water Resources Data, Modeling, and Visualization (DMV) Center

    SciTech Connect

    Jackman, Thomas; Minor, Timothy; Pohll, Gregory

    2013-07-22

    Water is unquestionably a critical resource throughout the United States. In the semi-arid west -- an area stressed by increase in human population and sprawl of the built environment -- water is the most important limiting resource. Crucially, science must understand factors that affect availability and distribution of water. To sustain growing consumptive demand, science needs to translate understanding into reliable and robust predictions of availability under weather conditions that could be average but might be extreme. These predictions are needed to support current and long-term planning. Similar to the role of weather forecast and climate prediction, water prediction over short and long temporal scales can contribute to resource strategy, governmental policy and municipal infrastructure decisions, which are arguably tied to the natural variability and unnatural change to climate. Change in seasonal and annual temperature, precipitation, snowmelt, and runoff affect the distribution of water over large temporal and spatial scales, which impact the risk of flooding and the groundwater recharge. Anthropogenic influences and impacts increase the complexity and urgency of the challenge. The goal of this project has been to develop a decision support framework of data acquisition, digital modeling, and 3D visualization. This integrated framework consists of tools for compiling, discovering and projecting our understanding of processes that control the availability and distribution of water. The framework is intended to support the analysis of the complex interactions between processes that affect water supply, from controlled availability to either scarcity or deluge. The developed framework enables DRI to promote excellence in water resource management, particularly within the Lake Tahoe basin. In principle, this framework could be replicated for other watersheds throughout the United States. Phase II of this project builds upon the research conducted during

  7. A two-dimensional model study of the QBO signal in SAGE II NO2 and O3

    NASA Technical Reports Server (NTRS)

    Chipperfield, M. P.; Gray, L. J.; Kinnersley, J. S.; Zawodny, J.

    1994-01-01

    Calculations of the quasi biennial oscillation (QBO) signal in Stratospheric Aerosol and Gas Experiment (SAGE) II O3 and NO2 data between 1984 and 1991 are presented and have been investigated by using a two-dimensional model. The isentropic 2D model is a fully interactive radiative-dynamical-chemical model in which the eddy fluxes of chemical species are calculated in a consistent manner. The QBO in the model has been forced by relaxing the equatorial zonal wind toward the observations at Singapore allowing the comparison of the model with observations from specific years. The model reproduces the observed vertical structure of the equatorial ozone anomaly with the well-known transition from dynamical to photochemical control at around 28km. The model also reproduces the observed vertical structure of the SAGE II observed NO2 anomaly. The model studies have shown that it is the QBO modulation of NO2 which the main cause of QBO signal in O3 above 30 km. The model also reproduces the observed latitudinal structure of the QBO signals in O3 and NO2. Due to the differing horizontal distribution of O3 and NO(y) the ozone signal shows a distinct phase change in the subtropics whereas the NO2 anomaly gives a broader signal.

  8. Comparison of occlusal contact areas of class I and class II molar relationships at finishing using three-dimensional digital models

    PubMed Central

    Lee, Hyejoon; Kim, Minji

    2015-01-01

    Objective This study compared occlusal contact areas of ideally planned set-up and accomplished final models against the initial in class I and II molar relationships at finishing. Methods Evaluations were performed for 41 post-orthodontic treatment cases, of which 22 were clinically diagnosed as class I and the remainder were diagnosed as full cusp class II. Class I cases had four first premolars extracted, while class II cases had maxillary first premolars extracted. Occlusal contact areas were measured using a three-dimensional scanner and RapidForm 2004. Independent t-tests were used to validate comparison values between class I and II finishings. Repeated measures analysis of variance was used to compare initial, set up, and final models. Results Molars from cases in the class I finishing for the set-up model showed significantly greater contact areas than those from class II finishing (p < 0.05). The final model class I finishing showed significantly larger contact areas for the second molars (p < 0.05). The first molars of the class I finishing for the final model showed a tendency to have larger contact areas than those of class II finishing, although the difference was not statistically significant (p = 0.078). Conclusions In set-up models, posterior occlusal contact was better in class I than in class II finishing. In final models, class I finishing tended to have larger occlusal contact areas than class II finishing. PMID:26023539

  9. CENTAR modelling of the TOPAZ-II: Loss of vacuum chamber cooling during full power ground test

    NASA Astrophysics Data System (ADS)

    Standley, Vaughn H.; Morris, D. Brent; Schuller, Michael J.

    1992-01-01

    The Code for Extended Non-linear Transient Analysis of Extraterrestrial Reactors (CENTAR) was used to model an electrically heated TOPAZ-II thermionic space reactor operating at full power following a loss of coolant to its enclosing vacuum chamber. The purpose of the work was to quantity the response time available to Thermionic System Evaluation Test (TSET) operators following an interruption of vacuum chamber cooling and to test the utility of the CENTAR code for modelling a true-to-life application. A parametric study was done to test key assumptions and to refine the TOPAZ-II input deck being used. The vacuum chamber temperature history was then solved for under the assumption that full power would be maintained (at 115 kWth) during the loss of vacuum chamber cooling. The vacuum chamber temperatures were substituted into the CENTAR input deck for the space temperature variable. Each space temperature was associated with a point in time to simulate transient conditions in the electric heaters, thermionic elements, liquid metal coolant, and radiator. It was verified that the TOPAZ-II equilibrated fast enough such that CENTAR could run in steady state mode to generate a quasi-transient solution. Results indicated that TSET operators would have several minutes to regain total or partial cooling and that drastic action (emergency shutdown of the TOPAZ-II electric heater power, for example) would not be required.

  10. The Chemical Properties of Milky Way and M31 Globular Clusters. II. Stellar Population Model Predictions

    NASA Astrophysics Data System (ADS)

    Beasley, Michael A.; Brodie, Jean P.; Strader, Jay; Forbes, Duncan A.; Proctor, Robert N.; Barmby, Pauline; Huchra, John P.

    2005-03-01

    We derive ages, metallicities, and abundance ratios ([α/Fe]) from the integrated spectra of 23 globular clusters in M31 by employing multivariate fits to two different stellar population models. We also perform a parallel analysis on 21 Galactic globular clusters as a consistency check and in order to facilitate a differential analysis. Our analysis shows that the M31 globular clusters separate into three distinct components in age and metallicity; we identify an old, metal-poor group (seven clusters), an old, metal-rich group (10 clusters), and an intermediate-age (3-6 Gyr), intermediate-metallicity ([Z/H]~-1) group (six clusters). This third group is not identified in the Galactic globular cluster sample. We also see evidence that the old, metal-rich Galactic globular clusters are 1-2 Gyr older than their counterparts in M31. The majority of globular clusters in both samples appear to be enhanced in α-elements, but the degree of enhancement is rather model-dependent. The intermediate-age globular clusters appear to be the most enhanced, with [α/Fe]~0.4. These clusters are clearly depressed in CN with respect to the models and the bulk of the M31 and Milky Way sample. Compared with the bulge of M31, M32, and NGC 205, these clusters most resemble the stellar populations in NGC 205 in terms of age, metallicity, and CN abundance. We infer horizontal branch morphologies for the M31 clusters using the Rose Ca II index and demonstrate that blue horizontal branches are not leading to erroneous age estimates in our analysis. We discuss and reject as unlikely the hypothesis that these objects are in fact foreground stars contaminating the optical catalogs. The intermediate-age clusters have generally higher velocities than the bulk of the M31 cluster population. Spatially, three of these clusters are projected onto the bulge region, and the remaining three are distributed at large radii. We discuss these objects within the context of the build-up of the M31 halo and

  11. Hematopoietic Stem Cell Gene Therapy Corrects Neuropathic Phenotype in Murine Model of Mucopolysaccharidosis Type II.

    PubMed

    Wakabayashi, Taichi; Shimada, Yohta; Akiyama, Kazumasa; Higuchi, Takashi; Fukuda, Takahiro; Kobayashi, Hiroshi; Eto, Yoshikatsu; Ida, Hiroyuki; Ohashi, Toya

    2015-06-01

    Mucopolysaccharidosis type II (MPS II) is a neuropathic lysosomal storage disorder caused by a deficiency of iduronate-2-sulfatase (IDS), which leads to the accumulation of glycosaminoglycans (GAGs). We demonstrated that biochemical alterations in the brains of MPS II mice are not corrected by bone marrow transplantation (BMT) or enzyme replacement therapy, although BMT has been shown to be effective for other neurodegenerative MPSs, such as Hurler syndrome. In this study, we demonstrated that lentiviral isogeneic hematopoietic stem cell (HSC) gene therapy corrected neuronal manifestations by ameliorating lysosomal storage and autophagic dysfunction in the brains of MPS II mice. IDS-transduced HSCs increased enzyme activity both in various visceral organs and the CNS. Decreased levels of GAGs were observed in many organs, including cerebra, after transplantation of IDS-transduced HSCs. In addition, lentiviral HSC gene therapy normalized the secondary accumulation of autophagic substrates, such as p62 and ubiquitin-protein conjugates, in cerebra. Furthermore, in contrast to naive MPS II mice, there was no deterioration of neuronal function observed in transplant recipients. These results indicated that lentiviral HSC gene therapy is a promising approach for the treatment of CNS lesions in MPS II. PMID:25761450

  12. Evaluation of anti-diabetic activity of Glucova Active Tablet on Type I and Type II diabetic model in rats

    PubMed Central

    Soni, Hardik; Patel, Sejal; Patel, Ghanshyam; Paranjape, Archana

    2014-01-01

    Background: Glucova Active Tablet is a proprietary Ayurvedic formulation with ingredients reported for anti-hyperglycemic, anti-hyperlipidemic activity and antioxidant properties. Objective: Evaluation of anti-diabetic activity of Glucova Active Tablet on Type I and Type II diabetic model in rats. Materials and Methods: Experimental Type I diabetes was induced in 24 albino rats with intra-peritoneal injection of streptozotocin (50 mg/kg). Type II diabetes was induced in 18 albino rats by intra-peritoneal injection of streptozotocin (35 mg/kg) along with high fat diet. The rats were divided in 5 groups for Type I model and 4 groups for Type II model. Normal control group was kept common for both experimental models. Glucova Active Tablet (108 mg/kg) treatment was provided for 28 days twice daily orally. Fasting blood glucose level, serum lipid profile and liver anti-oxidant parameters like superoxide dismutase and reduced glutathione was carried out in both experimental models. Pancreas histopathology was also done. Statistical analysis were done by ‘analysis of variance’ test followed by post hoc Tukey's test, with significant level of P < 0.05. Results and Discussion: Glucova Active Tablet showed significant effect on fasting blood glucose level. It also showed significant alteration in lipid profile and antioxidant parameters. Histopathology study revealed restoration of beta cells in pancreas in Glucova Active Tablet treated group. Conclusion: Finding of this study concludes that Glucova Active Tablet has shown promising anti-diabetic activity in Type I and Type II diabetic rats. It was also found showing good anti-hyperlipidemic activity and anti-oxidant property. PMID:24948860

  13. Plumes and Blooms: Modeling the Case II Waters of the Santa Barbara Channel. Chapter 15

    NASA Technical Reports Server (NTRS)

    Siegel, D. A.; Maritorena, S.; Nelson, N. B.

    2003-01-01

    The goal of the Plumes and Blooms (PnB) project is to develop, validate and apply to imagery state-of-the-art ocean color algorithms for quantifying sediment plumes and phytoplankton blooms for the Case II environment of the Santa Barbara Channel. We conduct monthly to twice-monthly transect observations across the Santa Barbara Channel to develop an algorithm development and product validation data set. The PnB field program started in the summer of 1996. At each of the 7 PnB stations, a complete verification bio-geo-optical data set is collected. Included are redundant measures of apparent optical properties (remote sensing reflectance and diffuse attenuation spectra), as well as in situ profiles of spectral absorption, beam attenuation and backscattering coefficients. Water samples are analyzed for component in vivo absorption spectra, fluorometric chlorophyll, phytoplankton pigment (by the SDSU CHORS laboratory), and inorganic nutrient concentrations. A primary goal is to use the PnB field data set to objectively tune semi-analytical models of ocean color for this site and apply them using available satellite imagery (SeaWiFS and MODIS). In support of this goal, we have also been addressing SeaWiFS ocean color and AVHRR SST imagery. We also are using the PnB data set to address time/space variability of water masses in the Santa Barbara Channel and its relationship to the 1997/1998 El Nino. However, the comparison between PnB field observations and satellite estimates of primary products has been disappointing. We find that field estimates of water-leaving radiance, L(sub wN)(lambda), correspond poorly to satellite estimates for both SeaWiFS and MODIS local area coverage imagery. We believe this is due to poor atmospheric correction due to complex mixtures of aerosol types found in these near-coastal regions. Last, we remain active in outreach activities.

  14. Transgenic mouse model for estrogen-regulated lipoprotein metabolism: studies on apoVLDL-II expression in transgenic mice.

    PubMed

    Zsigmond, E; Nakanishi, M K; Ghiselli, F E; Chan, L

    1995-07-01

    We have produced transgenic mice that express an estrogen-responsive avian apolipoprotein, apoVLDL-II. An apoVLDL-II natural gene construct containing 4.7 kb of 5' flanking and 19 bp of 3' flanking sequences together with the 4 exon/3 intron structural gene was expressed in a liver-specific manner in transgenic mice. A single injection of estrogen caused a 5.9- to 7.5-fold stimulation of apoVLDL-II mRNA in the liver. The transgene mRNA had the same initiation sites of transcription as the native mRNA isolated from laying hen liver, and the same sites were used before and after estrogen treatment. The number of hepatocytes that stain positive for immunoreactive apoVLDL-II increased from < 1% to 40-60% in 24 h after estrogen treatment. Thus, in trangenic mice as in the cockerel, hepatocytes are biochemically heterogeneous and induction of apoVLDL-II synthesis occurs by recruitment of hepatocytes. In the plamsa compartment, compared to controls, transgenic mice have a 3- to 5-fold higher basal total plasma triglyceride which was accounted for by a 5.4-fold high basal VLDL triglyceride. Estrogen treatment results in a approximately 2-fold increase in the VLDL triglycerides over basal levels and 8.5-fold increase over nontransgenic mice, which did not show any change in VLDL in response to estrogen. Transgenic mice with the integrated apoVLDL-II gene provide a useful model for the study of the regulation of lipoprotein metabolism by estrogen. PMID:7595069

  15. Electronic Structure of a CuII-Alkoxide Complex Modeling Intermediates in Copper-Catalyzed Alcohol Oxidations

    PubMed Central

    Hayes, Ellen C.; Porter, Thomas R.; Barrows, Charles J.; Kaminsky, Werner; Mayer, James M.; Stoll, Stefan

    2016-01-01

    In the copper-catalyzed oxidation of alcohols to aldehydes, a CuII-alkoxide (CuII-OR) intermediate is believed to modulate the αC-H bond strength of the deprotonated substrate to facilitate the oxidation. As a structural model for these intermediates, we characterized the electronic structure of the stable compound TptBuCuII(OCH2CF3) (TptBu = (hydro-tris (3-tert-butyl-pyrazolyl) borate) and investigated the influence of the trifluoroethoxide ligand on the electronic structure of the complex. The compound exhibits an electron paramagnetic resonance (EPR) spectrum with an unusually large gzz value of 2.44 and a small copper hyperfine coupling Azz of 40·10−4 cm−1 (120 MHz). Single-crystal electron nuclear double resonance (ENDOR) spectra show that the unpaired spin population is highly localized on the copper ion (≈ 68 %), with no more than 15 % on the ethoxide oxygen. Electronic absorption and magnetic circular dichroism (MCD) spectra show weak ligand-field transitions between 5000 and 12000 cm−1 and an intense ethoxide-to-copper charge transfer (LMCT) transition at 24000 cm−1, resulting in the red color of this complex. Resonance Raman (rR) spectroscopy reveals a Cu-O stretch mode at 592 cm−1. Quantum chemical calculations support the interpretation and assignment of the experimental data. Compared to known CuII-thiolate and CuII-alkylperoxo complexes from the literature, we found an increased σ interaction in the CuII-OR bond that results in the spectroscopic features. These insights lay the basis for further elucidating the mechanism of copper-catalyzed alcohol oxidations. PMID:26907976

  16. A model of nitrous oxide evolution from soil driven by rainfall events. I - Model structure and sensitivity. II - Model applications

    NASA Technical Reports Server (NTRS)

    Changsheng, LI; Frolking, Steve; Frolking, Tod A.

    1992-01-01

    Simulations of N2O and CO2 emissions from soils were conducted with a rain-event driven, process-oriented model (DNDC) of nitrogen and carbon cycling processes in soils. The magnitude and trends of simulated N2O (or N2O + N2) and CO2 emissions were consistent with the results obtained in field experiments. The successful simulation of these emissions from the range of soil types examined demonstrates that the DNDC will be a useful tool for the study of linkages among climate, soil-atmosphere interactions, land use, and trace gas fluxes.

  17. Application of WRF/Chem over East Asia: Part II. Model improvement and sensitivity simulations

    NASA Astrophysics Data System (ADS)

    Zhang, Yang; Zhang, Xin; Wang, Kai; Zhang, Qiang; Duan, Fengkui; He, Kebin

    2016-01-01

    To address the problems and limitations identified through a comprehensive evaluation in Part I paper, several modifications are made in model inputs, treatments, and configurations and sensitivity simulations with improved model inputs and treatments are performed in this Part II paper. The use of reinitialization of meteorological variables reduces the biases and increases the spatial correlations in simulated temperature at 2-m (T2), specific humidity at 2-m (Q2), wind speed at 10-m (WS10), and precipitation (Precip). The use of a revised surface drag parameterization further reduces the biases in simulated WS10. The adjustment of only the magnitudes of anthropogenic emissions in the surface layer does not help improve overall model performance, whereas the adjustment of both the magnitudes and vertical distributions of anthropogenic emissions shows moderate to large improvement in simulated surface concentrations and column mass abundances of species in terms of domain mean performance statistics, hourly and monthly mean concentrations, and vertical profiles of concentrations at individual sites. The revised and more advanced dust emission schemes can help improve PM predictions. Using revised upper boundary conditions for O3 significantly improves the column O3 abundances. Using a simple SOA formation module further improves the predictions of organic carbon and PM2.5. The sensitivity simulation that combines all above model improvements greatly improves the overall model performance. For example, the sensitivity simulation gives the normalized mean biases (NMBs) of -6.1% to 23.8% for T2, 2.7-13.8% for Q2, 22.5-47.6% for WS10, and -9.1% to 15.6% for Precip, comparing to -9.8% to 75.6% for T2, 0.4-23.4% for Q2, 66.5-101.0% for WS10, and 11.4%-92.7% for Precip from the original simulation without those improvements. It also gives the NMBs for surface predictions of -68.2% to -3.7% for SO2, -73.8% to -20.6% for NO2, -8.8%-128.7% for O3, -61.4% to -26.5% for PM2

  18. An exploratory study of proficient undergraduate Chemistry II students' application of Lewis's model

    NASA Astrophysics Data System (ADS)

    Lewis, Sumudu R.

    This exploratory study was based on the assumption that proficiency in chemistry must not be determined exclusively on students' declarative and procedural knowledge, but it should be also described as the ability to use variety of reasoning strategies that enrich and diversify procedural methods. The study furthermore assumed that the ability to describe the structure of a molecule using Lewis's model and use it to predict its geometry as well as some of its properties is indicative of proficiency in the essential concepts of covalent bonding and molecule structure. The study therefore inquired into the reasoning methods and procedural techniques of proficient undergraduate Chemistry II students when solving problems, which require them to use Lewis's model. The research design included an original survey, designed by the researcher for this study, and two types of interviews, with students and course instructors. The purpose of the survey was two-fold. First and foremost, the survey provided a base for the student interview selection, and second it served as the foundation for the inquiry into the strategies the student use when solving survey problems. Twenty two students were interviewed over the course of the study. The interview with six instructors allowed to identify expected prior knowledge and skills, which the students should have acquired upon completion of the Chemistry I course. The data, including videos, audios, and photographs of the artifacts produced by students during the interviews, were organized and analyzed manually and using QSR NVivo 10. The research found and described the differences between proficient and non-proficient students' reasoning and procedural strategies when using Lewis's model to describe the structure of a molecule. One of the findings clearly showed that the proficient students used a variety of cues to reason, whereas other students used one memorized cue, or an algorithm, which often led to incorrect representations in

  19. 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

  20. Dynamic regime marginal structural mean models for estimation of optimal dynamic treatment regimes, Part II: proofs of results.

    PubMed

    Orellana, Liliana; Rotnitzky, Andrea; Robins, James M

    2010-01-01

    In this companion article to "Dynamic Regime Marginal Structural Mean Models for Estimation of Optimal Dynamic Treatment Regimes, Part I: Main Content" [Orellana, Rotnitzky and Robins (2010), IJB, Vol. 6, Iss. 2, Art. 7] we present (i) proofs of the claims in that paper, (ii) a proposal for the computation of a confidence set for the optimal index when this lies in a finite set, and (iii) an example to aid the interpretation of the positivity assumption. PMID:20405047

  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. Complex of manganese (II) with curcumin: Spectroscopic characterization, DFT study, model-based analysis and antiradical activity

    NASA Astrophysics Data System (ADS)

    Gorgannezhad, Lena; Dehghan, Gholamreza; Ebrahimipour, S. Yousef; Naseri, Abdolhossein; Nazhad Dolatabadi, Jafar Ezzati

    2016-04-01

    The complex formation between curcumin (Cur) and Manganese (II) chloride tetrahydrate (MnCl2.4H2O) was studied by UV-Vis and IR spectroscopy. Spectroscopic data suggest that Cur can chelate Manganese cations. A simple multi-wavelength model-based method was used to define stability constant for complexation reaction regardless of the spectra overlapping of components. Also, pure spectra and concentration profiles of all components were extracted using this method. Density functional theory (DFT) was also used to view insight into complexation mechanism. Antioxidant activity of Cur and Cur-Mn(II) complex was evaluated using 1,1-diphenyl-2-picrylhydrazyl (DPPH) scavenging method. Bond dissociation energy (BDE), the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and Molecular electrostatic potential (MEP) of Cur and the complex also were calculated at PW91/TZ2P level of theory using ADF 2009.01 package. The experimental results show that Cur has a higher DPPH radical scavenging activity than Cur-Mn(II). This observation is theoretically justified by means of lower BDE and higher HOMO and LUMO energy values of Cur ligand as compared with those of Cur-Mn(II) complex.

  3. Combined Modeling of Acceleration, Transport, and Hydrodynamic Response in Solar Flares. II. Inclusion of Radiative Transfer with RADYN

    NASA Astrophysics Data System (ADS)

    Rubio da Costa, Fatima; Liu, Wei; Petrosian, Vahé; Carlsson, Mats

    2015-11-01

    Solar flares involve complex processes that are coupled and span a wide range of temporal, spatial, and energy scales. Modeling such processes self-consistently has been a challenge in the past. Here we present results from simulations that couple particle kinetics with hydrodynamics (HD) of the atmospheric plasma. We combine the Stanford unified Fokker-Planck code that models particle acceleration and transport with the RADYN HD code that models the atmospheric response to collisional heating by accelerated electrons through detailed radiative transfer calculations. We perform simulations using two different electron spectra, one an ad hoc power law and the other predicted by the model of stochastic acceleration by turbulence or plasma waves. Surprisingly, the later model, even with energy flux \\ll {10}10 {erg} {{{s}}}-1 {{cm}}-2, can cause “explosive” chromospheric evaporation and drive stronger up- and downflows (and HD shocks). This is partly because our acceleration model, like many others, produces a spectrum consisting of a quasi-thermal component plus a power-law tail. We synthesize emission-line profiles covering different heights in the lower atmosphere, including Hα 6563 Å, He ii 304 Å, Ca ii K 3934 Å, and Si iv 1393 Å. One interesting result is the unusual high temperature (up to a few times 105 K) of the formation site of He ii 304 Å, which is expected owing to photoionization-recombination under flare conditions, compared to those in the quiet Sun dominated by collisional excitation. When compared with observations, our results can constrain the properties of nonthermal electrons and thus the poorly understood particle acceleration mechanism.

  4. Synthesis, characterization, molecular modeling and antioxidant activity of (1E,5E)-1,5-bis(1-(pyridin-2-yl)ethylidene)carbonohydrazide (H2APC) and its zinc(II), cadmium(II) and mercury(II) complexes

    NASA Astrophysics Data System (ADS)

    El-Gammal, O. A.; Abu El-Reash, G. M.; Ghazy, S. E.; Radwan, A. H.

    2012-08-01

    A new series of Zn(II), Cd(II) and Hg(II) complexes of (1E,5E)-1,5-bis(1-(pyridin-2-yl)ethylidene)carbonohydrazide (H2APC) have been prepared and characterized by elemental analyses, spectral (IR, UV-visible, mass and 1H NMR) as well as magnetic and thermal measurements. The data revealed that the ligand acts a monobasic hexadentate, neutral tri- and monodentate in Zn(II), Cd(II) and Hg(II) complexes, respectively. An octahedral geometry is proposed for Zn(II) complex, a trigonal bi-pyramid for Cd(II) complex and a tetrahedral one for Hg(II) complex. The bond length, bond angle, HOMO, LUMO and charges on the atoms have been calculated to confirm the geometry of the ligand and the investigated complexes using material studio program. Kinetic parameters were determined for each thermal degradation stage of some complexes using Coats-Redfern and Horowitz-Metzger methods. The antioxidant, anti-hemolytic, and cytotoxic activities of the compounds have been screened. H2APC showed moderate antioxidant activity using ABTS and DPPH methods. With respect to erythrocyte hemolysis and in vitro Ehrlich ascites assay, H2APC exhibited the potent antioxidative activity followed by Cd(II) and Zn(II) complexes while Hg(II) complex showed very weak activity.

  5. Geothermal completion technology life cycle cost model (GEOCOM). Volume I. Final report. Volume II. User instruction manual

    SciTech Connect

    Anderson, E.R.; Hoessel, W.C.; Mansure, A.J.; McKissen, P.

    1982-07-01

    Just as with petroleum wells, drilling and completing a geothermal well at minimum original cost may not be the most cost-effective way to exploit the resource. The impacts of the original completion activities on production and costs later in the life of the well must also be considered. In order to evaluate alternate completion and workover technologies, a simple computer model has been developed to compare total life-cycle costs for a geothermal well to total production or injection. Volume I discusses the mechanics of the model and then presents detailed results from its application to different completion and workover questions. Volume II is the user instruction manual.

  6. Phase II Contaminant Transport Parameters for the Groundwater Flow and Contaminant Transport Model of Corrective Action Unit 98: Frenchman Flat, Nye County, Nevada, Rev. No.: 0

    SciTech Connect

    DeNovio, Nicole M.; Bryant, Nathan; King, Chrissi B.; Bhark, Eric; Drellack, Sigmund L.; Pickens, John F.; Farnham, Irene; Brooks, Keely M.; Reimus, Paul; Aly, Alaa

    2005-04-01

    This report documents pertinent transport data and data analyses as part of the Phase II Corrective Action Investigation (CAI) for Frenchman Flat (FF) Corrective Action Unit (CAU) 98. The purpose of this data compilation and related analyses is to provide the primary reference to support parameterization of the Phase II FF CAU transport model.

  7. CONTINUOUS MULTILIGAND DISTRIBUTION MODEL USED TO PREDICT THE STABILITY CONSTANT OF CU(II) METAL COMPLEXATION WITH HUMIC MATERIAL FROM FLUORESCENCE QUENCHING DATA

    EPA Science Inventory

    We report the use of a pH-dependent continuous multiligand distribution model to determine the stability constant between Cu(II) and dissolved humic material. luorescence quenching of the humic material by Cu(II) is used to produce spectral titration curves. he values form the ti...

  8. Person Heterogeneity of the BDI-II-C and Its Effects on Dimensionality and Construct Validity: Using Mixture Item Response Models

    ERIC Educational Resources Information Center

    Wu, Pei-Chen; Huang, Tsai-Wei

    2010-01-01

    This study was to apply the mixed Rasch model to investigate person heterogeneity of Beck Depression Inventory-II-Chinese version (BDI-II-C) and its effects on dimensionality and construct validity. Person heterogeneity was reflected by two latent classes that differ qualitatively. Additionally, person heterogeneity adversely affected the…

  9. Potential scorpionate antibiotics: targeted hydrolysis of lipid II containing model membranes by vancomycin-TACzyme conjugates and modulation of their antibacterial activity by Zn-ions.

    PubMed

    Bauke Albada, H; Arnusch, Christopher J; Branderhorst, Hilbert M; Verel, Anne-Marie; Janssen, Wouter T M; Breukink, Eefjan; de Kruijff, Ben; Pieters, Roland J; Liskamp, Rob M J

    2009-07-15

    The antibiotic vancomycin-that binds lipid II in the bacterial cell membrane-was conjugated to a mono- and tetravalent mimic of the tris-histidine catalytic triad of metalloenzymes. Targeted hydrolysis by the conjugate was observed using model membranes containing lipid II, and in vitro MIC-values of the targeted mimic constructs could be modulated by Zn-ions. PMID:19524434

  10. Phase II Hydrologic Data for the Groundwater Flow and Contaminant Transport Model of Corrective Action Unit 98: Frenchman Flat, Nye County, Nevada, Rev. No.: 0

    SciTech Connect

    John McCord

    2004-12-01

    This report documents pertinent hydrologic data and data analyses as part of the Phase II Corrective Action Investigation (CAI) for Frenchman Flat (FF) Corrective Action Unit (CAU): CAU 98. The purpose of this data compilation and related analyses is to provide the primary reference to support the development of the Phase II FF CAU groundwater flow model.

  11. Phylogenetic relationships and protein modelling revealed two distinct subfamilies of group II HKT genes between crop and model grasses.

    PubMed

    Ariyarathna, H A Chandima K; Francki, Michael G

    2016-07-01

    Molecular evolution of large protein families in closely related species can provide useful insights on structural functional relationships. Phylogenetic analysis of the grass-specific group II HKT genes identified two distinct subfamilies, I and II. Subfamily II was represented in all species, whereas subfamily I was identified only in the small grain cereals and possibly originated from an ancestral gene duplication post divergence from the coarse grain cereal lineage. The core protein structures were highly analogous despite there being no more than 58% amino acid identity between members of the two subfamilies. Distinctly variable regions in known functional domains, however, indicated functional divergence of the two subfamilies. The subsets of codons residing external to known functional domains predicted signatures of positive Darwinian selection potentially identifying new domains of functional divergence and providing new insights on the structural function and relationships between protein members of the two subfamilies. PMID:27203707

  12. Understanding Shock Dynamics in the Inner Heliosphere with Modeling and Type II Radio Data: the 2010-04-03 event

    NASA Astrophysics Data System (ADS)

    Xie, H.; Odstrcil, D.; Mays, M. L.; St Cyr, O. C.; Gopalswamy, N.; Cremades, H.

    2011-12-01

    The 2010 April 03 solar event was studied using observations from STEREO A and B SECCHI, SOHO LASCO, and kilometric type II data combined with the WSA-Cone-ENLIL model. In particular, we identified the origin of the coronal mass ejection (CME) using STEREO EUVI and SOHO EIT images. A flux-rope model fit to the SECCHI A and B, and LASCO images were used to determine the CME's direction, size, and actual speed. J-maps from STEREO COR2/HI-1/HI-2 and simulations from the ENLIL model were used to study the formation and evolution of the shock in the inner heliosphere. In addition, we also studied the time-distance profile of the shock propagation from kilometric type II (kmTII) radio burst observations. Here we report on a comparison of two methods of predicting interplanetary shock arrival time: the ENLIL model and the kmTII method; and investigate whether or not using the ENLIL model density improves the kmTII rediction. We found that the ENLIL model predicted the kinematics of shock evolution well. The shock arrival times (SAT) and linear fit shock velocities in the ENLIL model agreed well with those measurements in the J-maps along both the CME leading edge and the Sun-Earth line. The model also reproduced most of the large scale structures of the shock propagation and gave the SAT prediction at Earth with an error of 1.5 hours. The kmTII method predicted the SAT at Earth with an error of 8 hours when using the ENLIL model plasma density at near Earth; but it improved to 3 hours when using the model density near the CME leading edge at 1 AU.

  13. FORUM - FutureTox II: In vitro Data and In Silico Models for Predictive Toxicology

    EPA Science Inventory

    FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo resp...

  14. TRANSITION PROBABILITIES FOR STUDENT-TEACHER POPULATION GROWTH MODEL (DYNAMOD II).

    ERIC Educational Resources Information Center

    ZINTER, JUDITH R.

    THIS NOTE PRESENTS THE TRANSITION PROBABILITIES CURRENTLY IN USE IN DYNAMOD II. THE ESTIMATING PROCEDURES USED TO DERIVE THESE PROBABILITIES WERE DISCUSSED IN THESE RELATED DOCUMENTS--EA 001 016, EA 001 017, EA 001 018, AND EA 001 063. THE TRANSIT ON PROBABILITIES FOR FOUR SEX-RACE GROUPS ARE SHOWN ALONG WITH THE DONOR-RECEIVER CODES TO WHICH THEY…

  15. Wusor II: A Computer Aided Instruction Program with Student Modelling Capabilities. AI Memo 417.

    ERIC Educational Resources Information Center

    Carr, Brian

    Wusor II is the second intelligent computer aided instruction (ICAI) program that has been developed to monitor the progress of, and offer suggestions to, students playing Wumpus, a computer game designed to teach logical thinking and problem solving. From the earlier efforts with Wusor I, it was possible to produce a rule-based expert which…

  16. DISPOSITION OF TCDD IN A MOUSE MODEL OF OBESITY AND TYPE II DIABETESE

    EPA Science Inventory

    Recent epidemiology studies have shown an association between type II diabetes and exposure to TCDD (2,3,7,8-tetrachlorodibenzo-p-dioxin). A possible explanation is that diabetics have a slower elimination of TCDD than non-diabetics. The objective of the present study was to ex...

  17. FORUM - FutureTox II: In vitro Data and In Silico Models forPredictive Toxicology

    EPA Science Inventory

    FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo resp...

  18. Luminosity Improvement at PEP-II Based on Optics Model and Beam-Beam Simulation

    SciTech Connect

    Cai, Y.; Colocho, W.; Diecker, F-J.; Nosochkov, Y.; Raimondi, P.; Seeman, J.; Sonnad, K.; Sullivan, M.; Turner, J.; Weaver, M.; Wienands, U.; Wittmer, W.; Woodley, M.; Yan, Y.; Yock, G.; /SLAC

    2006-06-21

    Since the beginning of this year, we have made significant improvements in the machine optics at PEP-II. As a result, the specific luminosity increased nearly 20%. The largest luminosity gain actually came from minimizing nonlinear chromatic effects and running both rings much closer to the half integer resonance in the horizontal plane.

  19. TEMPORAL EVOLUTION OF THE SCATTERING POLARIZATION OF THE Ca II IR TRIPLET IN HYDRODYNAMICAL MODELS OF THE SOLAR CHROMOSPHERE

    SciTech Connect

    Carlin, E. S.; Asensio Ramos, A.; Trujillo Bueno, J.

    2013-02-10

    Velocity gradients in a stellar atmospheric plasma have an effect on the anisotropy of the radiation field that illuminates each point within the medium, and this may in principle influence the scattering line polarization that results from the induced atomic level polarization. Here, we analyze the emergent linear polarization profiles of the Ca II infrared triplet after solving the radiative transfer problem of scattering polarization in time-dependent hydrodynamical models of the solar chromosphere, taking into account the effect of the plasma macroscopic velocity on the atomic level polarization. We discuss the influence that the velocity and temperature shocks in the considered chromospheric models have on the temporal evolution of the scattering polarization signals of the Ca II infrared lines as well as on the temporally averaged profiles. Our results indicate that the increase of the linear polarization amplitudes caused by macroscopic velocity gradients may be significant in realistic situations. We also study the effect of the integration time, the microturbulent velocity, and the photospheric dynamical conditions, and discuss the feasibility of observing with large-aperture telescopes the temporal variation of the scattering polarization profiles. Finally, we explore the possibility of using a Hanle effect line-ratio technique in the IR triplet of Ca II to facilitate magnetic field diagnostics in dynamic situations.

  20. 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

  1. Modeling the adsorption of mercury(II) on (hydr)oxides. 2: {alpha}-FeOOH (goethite) and amorphous silica

    SciTech Connect

    Bonnissel-Gissinger, P.; Alnot, M.; Ehrhardt, J.J.; Lickes, J.P.; Behra, P.

    1999-07-15

    The surface complexation model is used to describe sorption experiments of inorganic mercury(II) in the presence of an amorphous silica, Aerosil 200, or an iron (hydr)oxide, the goethite {alpha}-FeOOH (Bayferrox 910). In the simulations, one assumes the formation of a monodentate surface complex {triple_bond}S{single_bond}OHgOH and {triple_bond}S{single_bond}OHgCl, when chlorides are present in solution. Participation of the complex {triple_bond}S{single_bond}OHgCl has been especially evidenced. Comparisons with other data from the literature have been made to investigate the influence of the nature of the oxide on the mechanism of mercury(II) adsorption. X-ray photoelectron spectroscopy was used to characterize the surface of the (hydr)oxides prior to adsorption and to observe when possible the mercury surface compounds.

  2. Enrollment and Financial Aid Models for Higher Education, Phase II Final Report.

    ERIC Educational Resources Information Center

    Mathematica, Inc., Bethesda, MD.

    In this report four models are formulated which forecast the enrollment and financial needs of students in higher education. The four models are: the undergraduate enrollment model, postbaccalaureate enrollment model, undergraduate student aid model, and postbaccalaureate student aid model. In addition to computing total financial needs, these…

  3. CP violation in neutrino mixing with δ = - π / 2 in A4 Type-II seesaw model

    NASA Astrophysics Data System (ADS)

    Li, Guan-Nan; He, Xiao-Gang

    2015-11-01

    We study a class of models for neutrino mass matrix in Type-II seesaw with A4 family symmetry. The resulting neutrino mass matrix can be naturally made to respect a μ- τ exchange plus CP conjugate symmetry (GLS) with the CP violating phase δ and the mixing angle θ23 predicted to be ± π / 2 and π / 4, respectively. When GLS is explicitly broken by complex Yukawa couplings, the model predictions for δ and θ23 can be significantly modified. Should future experiments indeed determine θ23 and δCP away from the GLS limit values, one then had to consider models with broken GLS. We study several simple scenarios to show how the modifications arise w&barbelow;hen GLS is broken and how future experiments can test this class of models.

  4. Comparison of original EuroSCORE, EuroSCORE II and STS risk models in a Turkish cardiac surgical cohort†

    PubMed Central

    Kunt, Ayse Gul; Kurtcephe, Murat; Hidiroglu, Mete; Cetin, Levent; Kucuker, Aslihan; Bakuy, Vedat; Ruchan Akar, Ahmet; Sener, Erol

    2013-01-01

    OBJECTIVES The aim of this study was to compare additive and logistic European System for Cardiac Operative Risk Evaluation (EuroSCORE), EuroSCORE II and the Society of Thoracic Surgeons (STS) models in calculating mortality risk in a Turkish cardiac surgical population. METHODS The current patient population consisted of 428 patients who underwent isolated coronary artery bypass grafting (CABG) between 2004 and 2012, extracted from the TurkoSCORE database. Observed and predicted mortalities were compared for the additive/logistic EuroSCORE, EuroSCORE II and STS risk calculator. The area under the receiver operating characteristics curve (AUC) values were calculated for these models to compare predictive power. RESULTS The mean patient age was 74.5 ± 3.9 years at the time of surgery, and 35.0% were female. For the entire cohort, actual hospital mortality was 7.9% (n = 34; 95% confidence interval [CI] 5.4–10.5). However, the additive EuroSCORE-predicted mortality was 6.4% (P = 0.23 vs observed; 95% CI 6.2–6.6), logistic EuroSCORE-predicted mortality was 7.9% (P = 0.98 vs observed; 95% CI 7.3–8.6), EuroSCORE II- predicted mortality was 1.7% (P = 0.00 vs observed; 95% CI 1.6–1.8) and STS predicted mortality was 5.8% (P = 0.10 vs observed; 95% CI 5.4–6.2). The mean predictive performance of the analysed models for the entire cohort was fair, with 0.7 (95% CI 0.60–0.79). AUC values for additive EuroSCORE, logistic EuroSCORE, EuroSCORE II and STS risk calculator were 0.70 (95% CI 0.60–0.79), 0.70 (95% CI 0.59–0.80), 0.72 (95% CI 0.62–0.81) and 0.62 (95% CI 0.51–0.73), respectively. CONCLUSIONS EuroSCORE II significantly underestimated mortality risk for Turkish cardiac patients, whereas additive and logistic EuroSCORE and STS risk calculators were well calibrated. PMID:23403767

  5. Modeling Lost-Particle Backgrounds in PEP-II Using LPTURTLE

    SciTech Connect

    Fieguth, T.; Barlow, R.; Kozanecki, W.; /DAPNIA, Saclay

    2005-05-17

    Background studies during the design, construction, commissioning, operation and improvement of BaBar and PEP-II have been greatly influenced by results from a program referred to as LPTURTLE (Lost Particle TURTLE) which was originally conceived for the purpose of studying gas background for SLC. This venerable program is still in use today. We describe its use, capabilities and improvements and refer to current results now being applied to BaBar.

  6. Primordial 4He abundance: a determination based on the largest sample of H II regions with a methodology tested on model H II regions

    NASA Astrophysics Data System (ADS)

    Izotov, Y. I.; Stasińska, G.; Guseva, N. G.

    2013-10-01

    We verified the validity of the empirical method to derive the 4He abundance used in our previous papers by applying it to CLOUDY (v13.01) models. Using newly published He i emissivities for which we present convenient fits as well as the output CLOUDY case B hydrogen and He i line intensities, we found that the empirical method is able to reproduce the input CLOUDY 4He abundance with an accuracy of better than 1%. The CLOUDY output data also allowed us to derive the non-recombination contribution to the intensities of the strongest Balmer hydrogen Hα, Hβ, Hγ, and Hδ emission lines and the ionisation correction factors for He. With these improvements we used our updated empirical method to derive the 4He abundances and to test corrections for several systematic effects in a sample of 1610 spectra of low-metallicity extragalactic H ii regions, the largest sample used so far. From this sample we extracted a subsample of 111 H ii regions with Hβ equivalent width EW(Hβ) ≥ 150 Å, with excitation parameter x = O2+/O ≥ 0.8, and with helium mass fraction Y derived with an accuracy better than 3%. With this subsample we derived the primordial 4He mass fraction Yp = 0.254 ± 0.003 from linear regression Y - O/H. The derived value of Yp is higher at the 68% confidence level (CL) than that predicted by the standard big bang nucleosynthesis (SBBN) model, possibly implying the existence of different types of neutrino species in addition to the three known types of active neutrinos. Using the most recently derived primordial abundances D/H = (2.60 ± 0.12) × 10-5 and Yp = 0.254 ± 0.003 and the χ2 technique, we found that the best agreement between abundances of these light elements is achieved in a cosmological model with baryon mass density Ωbh2 = 0.0234 ± 0.0019 (68% CL) and an effective number of the neutrino species Neff = 3.51 ± 0.35 (68% CL). Based on observations collected at the European Southern Observatory, Chile, programs 073.B-0283(A), 081.C-0113(A

  7. Spectroscopic characterization and molecular modeling of novel palladium(II) complexes with carbazates and hydrazides

    NASA Astrophysics Data System (ADS)

    Sousa, L. M.; Corbi, P. P.; Formiga, A. L. B.; Lancellotti, Marcelo; Marzano, I. M.; Pereira-Maia, E. C.; Von Poelhsitz, G.; Guerra, W.

    2015-10-01

    Palladium(II) complexes of the type trans-[Pd(L)2Cl2], where L = 4-methoxybenzylcarbazate (4-MC), benzyl carbazate (BC), 4-fluorophenoxyacetic acid hydrazide (4-FH), 3-methoxybenzoic acid hydrazide (3-MH), ethyl carbazate (EC) and tert-butyl carbazate (TC) were synthesized by the slow addition of the ligand to K2PdCl4 previously dissolved in water or ethanol. These complexes were characterized by elemental analyses, conductivity measurements, TG/DTA, FT-IR, mass spectrometric and NMR spectroscopy (solution and solid-state). All coordination compounds exhibit a square planar coordination geometry in which the palladium(II) ion coordinates to two nitrogen atoms and two chlorine atoms. The structures of the palladium(II) complexes were optimized and theoretical data show that the trans isomer is more stable, in accordance with the experimental data. Preliminary in vitro tests of some these new palladium complexes in a chronic myelogenous leukemia cell line (k562 cells) are also reported.

  8. Heavy metals in wastewater: Modelling the hydroxide precipitation of copper(II) from wastewater using lime as the precipitant

    SciTech Connect

    Baltpurvins, K.A.; Burns, R.C.; Lawrance, G.A.

    1996-12-31

    The effect of effluent composition (Cl{sup {minus}}, SO{sub 4}{sup 2{minus}} or CO{sub 3}{sup 2{minus}}) on the efficiency of the hydroxide precipitation of Cu(II) modelling lime (CaO) as the precipitant has been predicted using the solubility domain approach and has been experimentally validated. Solubility domains were based on the phases that were found to be solubility-limiting for systems representing potential effluent chemical composition limits. The generated solubility domains generally encompassed the experimentally observed solubilities, thereby providing effluent treatment quality assurance ranges for the hydroxide precipitation process. The presence of gypsum (CaSO{sub 4{center_dot}}2H{sub 2}O) and calcite (CaCO{sub 3}) as secondary precipitates had little effect on the observed residual Cu(II) solubilities, with Cu(II) mobility being governed by the least-soluble kinetically precipitated (rather than thermodynamically favored) phase in the system under study.

  9. Theoretical Modeling of the Magnetic Behavior of Thiacalix[4]arene Tetranuclear Mn(II)2Gd(III)2 and Co(II)2Eu(III)2 Complexes.

    PubMed

    Aldoshin, Sergey M; Sanina, Nataliya A; Palii, Andrew V; Tsukerblat, Boris S

    2016-04-01

    In view of a wide perspective of 3d-4f complexes in single-molecule magnetism, here we propose an explanation of the magnetic behavior of the two thiacalix[4]arene tetranuclear heterometallic complexes Mn(II)2Gd(III)2 and Co(II)2Eu(III)2. The energy pattern of the Mn(II)2Gd(III)2 complex evaluated in the framework of the isotropic exchange model exhibits a rotational band of the low-lying spin excitations within which the Landé intervals are affected by the biquadratic spin-spin interactions. The nonmonotonic temperature dependence of the χT product observed for the Mn(II)2Gd(III)2 complex is attributed to the competitive influence of the ferromagnetic Mn-Gd and antiferromagnetic Mn-Mn exchange interactions, the latter being stronger (J(Mn, Mn) = -1.6 cm(-1), Js(Mn, Gd) = 0.8 cm(-1), g = 1.97). The model for the Co(II)2Eu(III)2 complex includes uniaxial anisotropy of the seven-coordinate Co(II) ions and an isotropic exchange interaction in the Co(II)2 pair, while the Eu(III) ions are diamagnetic in their ground states. Best-fit analysis of χT versus T showed that the anisotropic contribution (arising from a large zero-field splitting in Co(II) ions) dominates (weak-exchange limit) in the Co(II)2Eu(III)2 complex (D = 20.5 cm(-1), J = -0.4 cm(-1), gCo = 2.22). This complex is concluded to exhibit an easy plane of magnetization (arising from the Co(II) pair). It is shown that the low-lying part of the spectrum can be described by a highly anisotropic effective spin-(1)/2 Hamiltonian that is deduced for the Co(II)2 pair in the weak-exchange limit. PMID:26974224

  10. Constraining the reservoir model of an injected CO2 plume with crosswell CASSM at the Frio-II brine plot

    SciTech Connect

    Daley, T.M.; Ajo-Franklin, J.; Doughty, C.A.

    2011-02-15

    Crosswell CASSM (continuous active-source seismic monitoring) data was acquired as part of the Frio-II brine pilot CO{sub 2} injection experiment. To gain insight into the CO{sub 2} plume evolution, we have integrated the 3D multiphase flow modeling code TOUGH2 with seismic simulation codes via a petrophysical model that predicts seismic velocity for a given CO{sub 2} saturation. Results of forward seismic modeling based on the CO{sub 2} saturation distribution produced by an initial TOUGH2 model compare poorly with the CASSM data, indicating that the initial flow model did not capture the actual CO{sub 2} plume dynamics. Updates to the TOUGH2 model required to better match the CASSM field data indicate vertical flow near the injection well, with increased horizontal plume growth occurring at the top of the reservoir sand. The CASSM continuous delay time data are ideal for constraining the modeled spatiotemporal evolution of the CO{sub 2} plume and allow improvement in reservoir model and estimation of CO{sub 2} plume properties.

  11. Modelling Energy Loss Mechanisms and a Determination of the Electron Energy Scale for the CDF Run II W Mass Measurement

    SciTech Connect

    Riddick, Thomas

    2012-06-15

    The calibration of the calorimeter energy scale is vital to measuring the mass of the W boson at CDF Run II. For the second measurement of the W boson mass at CDF Run II, two independent simulations were developed. This thesis presents a detailed description of the modification and validation of Bremsstrahlung and pair production modelling in one of these simulations, UCL Fast Simulation, comparing to both geant4 and real data where appropriate. The total systematic uncertainty on the measurement of the W boson mass in the W → eve channel from residual inaccuracies in Bremsstrahlung modelling is estimated as 6.2 ±3.2 MeV/c2 and the total systematic uncertainty from residual inaccuracies in pair production modelling is estimated as 2.8± 2.7 MeV=c2. Two independent methods are used to calibrate the calorimeter energy scale in UCL Fast Simulation; the results of these two methods are compared to produce a measurement of the Z boson mass as a cross-check on the accuracy of the simulation.

  12. Theoretical model of Case-II diffusion based on molecular-dynamics study of methanol in PMMA

    NASA Astrophysics Data System (ADS)

    Miao, Jiayuan; Tsige, Mesfin; Taylor, Philip

    In Case-II diffusion, a sharp diffusion front moves at a nearly constant speed. An obstacle to the theoretical prediction of the form of this front lies in the large mismatch between the time scale of atomic motion, which is measured in femtoseconds, and the time scale of diffusion in a macroscopic sample, which is measured in millions of seconds. We attempt to overcome this limitation by using the short-time results of atomistic molecular-dynamics simulations to construct a stochastic model valid over all time scales. The ability of this model to yield Case-II diffusion behavior was confirmed, and it was then developed into a continuum mathematical model in which the diffusivity D has a strong dependence on the concentration of the penetrant. We anticipate that solution of the appropriate non-linear diffusion equation will yield an accurate portrayal of the characteristics of the diffusion process. Work supported by the Petroleum Research Fund of the American Chemical Society.

  13. Modeled black carbon radiative forcing and atmospheric lifetime in AeroCom Phase II constrained by aircraft observations

    NASA Astrophysics Data System (ADS)

    Samset, B. H.; Myhre, G.; Herber, A.; Kondo, Y.; Li, S.-M.; Moteki, N.; Koike, M.; Oshima, N.; Schwarz, J. P.; Balkanski, Y.; Bauer, S. E.; Bellouin, N.; Berntsen, T. K.; Bian, H.; Chin, M.; Diehl, T.; Easter, R. C.; Ghan, S. J.; Iversen, T.; Kirkevåg, A.; Lamarque, J.-F.; Lin, G.; Liu, X.; Penner, J. E.; Schulz, M.; Seland, Ø.; Skeie, R. B.; Stier, P.; Takemura, T.; Tsigaridis, K.; Zhang, K.

    2014-08-01

    Atmospheric black carbon (BC) absorbs solar radiation, and exacerbates global warming through exerting positive radiative forcing (RF). However, the contribution of BC to ongoing changes in global climate is under debate. Anthropogenic BC emissions, and the resulting distribution of BC concentration, are highly uncertain. In particular, long range transport and processes affecting BC atmospheric lifetime are poorly understood. Here we discuss whether recent assessments may have overestimated present day BC radiative forcing in remote regions. We compare vertical profiles of BC concentration from four recent aircraft measurement campaigns to simulations by 13 aerosol models participating in the AeroCom Phase II intercomparision. An atmospheric lifetime of BC of less than 5 days is shown to be essential for reproducing observations in remote ocean regions, in line with other recent studies. Adjusting model results to measurements in remote regions, and at high altitudes, leads to a 25% reduction in AeroCom Phase II median direct BC forcing, from fossil fuel and biofuel burning, over the industrial era. The sensitivity of modeled forcing to BC vertical profile and lifetime highlights an urgent need for further flight campaigns, close to sources and in remote regions, to provide improved quantification of BC effects for use in climate policy.

  14. Modelled black carbon radiative forcing and atmospheric lifetime in AeroCom Phase II constrained by aircraft observations

    NASA Astrophysics Data System (ADS)

    Samset, B. H.; Myhre, G.; Herber, A.; Kondo, Y.; Li, S.-M.; Moteki, N.; Koike, M.; Oshima, N.; Schwarz, J. P.; Balkanski, Y.; Bauer, S. E.; Bellouin, N.; Berntsen, T. K.; Bian, H.; Chin, M.; Diehl, T.; Easter, R. C.; Ghan, S. J.; Iversen, T.; Kirkevåg, A.; Lamarque, J.-F.; Lin, G.; Liu, X.; Penner, J. E.; Schulz, M.; Seland, Ø.; Skeie, R. B.; Stier, P.; Takemura, T.; Tsigaridis, K.; Zhang, K.

    2014-11-01

    Atmospheric black carbon (BC) absorbs solar radiation, and exacerbates global warming through exerting positive radiative forcing (RF). However, the contribution of BC to ongoing changes in global climate is under debate. Anthropogenic BC emissions, and the resulting distribution of BC concentration, are highly uncertain. In particular, long-range transport and processes affecting BC atmospheric lifetime are poorly understood. Here we discuss whether recent assessments may have overestimated present-day BC radiative forcing in remote regions. We compare vertical profiles of BC concentration from four recent aircraft measurement campaigns to simulations by 13 aerosol models participating in the AeroCom Phase II intercomparison. An atmospheric lifetime of BC of less than 5 days is shown to be essential for reproducing observations in remote ocean regions, in line with other recent studies. Adjusting model results to measurements in remote regions, and at high altitudes, leads to a 25% reduction in AeroCom Phase II median direct BC forcing, from fossil fuel and biofuel burning, over the industrial era. The sensitivity of modelled forcing to BC vertical profile and lifetime highlights an urgent need for further flight campaigns, close to sources and in remote regions, to provide improved quantification of BC effects for use in climate policy.

  15. Amarogentin can reduce hyperproliferation by downregulation of Cox-II and upregulation of apoptosis in mouse skin carcinogenesis model.

    PubMed

    Saha, Prosenjit; Mandal, Suvra; Das, Ashes; Das, Sukta

    2006-12-01

    Swertia chirata, is a bitter plant, used in the Indian system of medicine (Ayurveda) for various human ailments. Our laboratory was the first to report the chemopreventive effect of this plant. The antiproliferative and pro-apoptotic action of amarogentin rich fraction of S. chirata is now demonstrated on a mouse skin carcinogenesis model. Immunohistochemical localization revealed a reduction in proliferating and increase in apoptotic cells in skin lesion following treatment, also reflected in the expression of molecular markers--Cox-II and caspase-3 proteins. It may be possible to calculate relative risk, relative protection and attributable risk from the action of test agents on proliferation and apoptosis. PMID:16517061

  16. Acoustical analysis and modeling of reciprocating compressors, noise produced by gas pulsation, using four-pole method. II

    NASA Astrophysics Data System (ADS)

    Herfat, Ali T.; Seel, Robert V.

    2003-04-01

    Presented in Paper II is the noise analysis of reciprocating compressors (such as air conditioning and refrigeration reciprocating compressors) using the four-pole method. The gas pulsation noise inside compressor head cavities, mufflers, and through-valves can be analyzed by applying the FPM. This method formulates the characteristics of acoustic elements by establishing a relationship between their input and output gas pressures and volume flow rates. When the acoustic elements in the system (compressor) are connected at points between them, the FPM allows an easy assembly of element equations to obtain system acoustical model.

  17. CONTINUITY OF AXES I AND II: TOWARD A UNIFIED MODEL OF PERSONALITY, PERSONALITY DISORDERS, AND CLINICAL DISORDERS

    PubMed Central

    Krueger, Robert F.

    2008-01-01

    In the current standard psychiatric nomenclature, the DSM–IV–TR (APA, 2000), mental disorders are divided into two groups: Clinical Disorders (CDs) and Personality Disorders (PDs), and CD and PD diagnoses are recorded on two separate axes (Axes I and II, respectively). This article considers evidence regarding putative bases for distinguishing between CDs and PDs, and finds that these constructs are more similar than distinct. Links between the domains may be better understood by focusing on how personality connects CDs and PDs. This perspective underlines the need to work toward a more unified model of personality, PDs, and CDs in research and in future editions of the DSM. PMID:16175735

  18. Three-dimensional structural model analysis of the binding site of lithocholic acid, an inhibitor of DNA polymerase beta and DNA topoisomerase II.

    PubMed

    Mizushina, Y; Kasai, N; Sugawara, F; Iida, A; Yoshida, H; Sakaguchi, K

    2001-11-01

    The molecular action of lithocholic acid (LCA), a selective inhibitor of mammalian DNA polymerase beta (pol beta), was investigated. We found that LCA could also strongly inhibit the activity of human DNA topoisomerase II (topo II). No other DNA metabolic enzymes tested were affected by LCA. Therefore, LCA should be classified as an inhibitor of both pol beta and topo II. Here, we report the molecular interaction of LCA with pol beta and topo II. By three-dimensional structural model analysis and by comparison with the spatial positioning of specific amino acids binding to LCA on pol beta (Lys60, Leu77, and Thr79), we obtained supplementary information that allowed us to build a structural model of topo II. Modeling analysis revealed that the LCA-interaction interface in both enzymes has a pocket comprised of three amino acids in common, which binds to the LCA molecule. In topo II, the three amino acid residues were Lys720, Leu760, and Thr791. These results suggested that the LCA binding domains of pol beta and topo II are three-dimensionally very similar. PMID:11686928

  19. Evaluation of regional climate simulations over the CORDEX-EA-II domain using the COSMO-CLM model

    NASA Astrophysics Data System (ADS)

    Zhou, Weidan; Tang, Jianping; Wang, Xueyuan; Wang, Shuyu; Niu, Xiaorui; Wang, Yuan

    2016-05-01

    The COSMO-CLM (CCLM) model is applied to perform regional climate simulation over the second phase of CORDEX-East Asia (CORDEX-EA-II) domain in this study. Driven by the ERAInterim reanalysis data, the model was integrated from 1988 to 2010 with a high resolution of 0.22°. The model's ability to reproduce mean climatology and climatic extremes is evaluated based on various aspects. The CCLM model is capable of capturing the basic features of the East Asia climate, including the seasonal mean patterns, interannual variations, annual cycles and climate extreme indices for both surface air temperature and precipitation. Some biases are evident in certain areas and seasons. Warm and wet biases appear in the arid and semi-arid areas over the northwestern and northern parts of the domain. The simulated climate over the Tibetan Plateau is colder and wetter than the observations, while South China, East China, and India are drier. The model biases may be caused by the simulated anticyclonic and cyclonic biases in low-level circulations, the simulated water vapor content biases, and the inadequate physical parameterizations in the CCLM model. A parallel 0.44° simulation is conducted and the comparison results show some added value introduced by the higher resolution 0.22° simulation. As a result, the CCLM model could be an adequate member for the next stage of the CORDEX-EA project, while further studies should be encouraged.

  20. BWR Full Integral Simulation Test (FIST) Phase II test results and TRAC-BWR model qualification

    SciTech Connect

    Sutherland, W A; Alamgir, M; Findlay, J A; Hwang, W S

    1985-10-01

    Eight matrix tests were conducted in the FIST Phase I. These tests investigated the large break, small break and steamline break LOCA's, as well as natural circulation and power transients. There are nine tests in Phase II of the FIST program. They include the following LOCA tests: BWR/6 LPCI line break, BWR/6 intermediate size recirculation break, and a BWR/4 large break. Steady state natural circulation tests with feedwater makeup performed at high and low pressure, and at high pressure with HPCS makeup, are included. Simulation of a transient without rod insertion, and with controlled depressurization, was performed. Also included is a simulation of the Peach Bottom turbine trip test. The final two tests simulated a failure to maintain water level during a postulated accident. A FIST program objective is to assess the TRAC code by comparisons with test data. Two post-test predictions made with TRACB04 are compared with Phase II test data in this report. These are for the BWR/6 LPCI line break LOCA, and the Peach Bottom turbine trip test simulation.

  1. Novel Growth Regime of MDCK II Model Tissues on Soft Substrates

    PubMed Central

    Kaliman, Sara; Jayachandran, Christina; Rehfeldt, Florian; Smith, Ana-Sunčana

    2014-01-01

    It is well established that MDCK II cells grow in circular colonies that densify until contact inhibition takes place. Here, we show that this behavior is only typical for colonies developing on hard substrates and report a new growth phase of MDCK II cells on soft gels. At the onset, the new phase is characterized by small, three-dimensional droplets of cells attached to the substrate. When the contact area between the agglomerate and the substrate becomes sufficiently large, a very dense monolayer nucleates in the center of the colony. This monolayer, surrounded by a belt of three-dimensionally packed cells, has a well-defined structure, independent of time and cluster size, as well as a density that is twice the steady-state density found on hard substrates. To release stress in such dense packing, extrusions of viable cells take place several days after seeding. The extruded cells create second-generation clusters, as evidenced by an archipelago of aggregates found in a vicinity of mother colonies, which points to a mechanically regulated migratory behavior. PMID:24703316

  2. Novel growth regime of MDCK II model tissues on soft substrates.

    PubMed

    Kaliman, Sara; Jayachandran, Christina; Rehfeldt, Florian; Smith, Ana-Sunčana

    2014-04-01

    It is well established that MDCK II cells grow in circular colonies that densify until contact inhibition takes place. Here, we show that this behavior is only typical for colonies developing on hard substrates and report a new growth phase of MDCK II cells on soft gels. At the onset, the new phase is characterized by small, three-dimensional droplets of cells attached to the substrate. When the contact area between the agglomerate and the substrate becomes sufficiently large, a very dense monolayer nucleates in the center of the colony. This monolayer, surrounded by a belt of three-dimensionally packed cells, has a well-defined structure, independent of time and cluster size, as well as a density that is twice the steady-state density found on hard substrates. To release stress in such dense packing, extrusions of viable cells take place several days after seeding. The extruded cells create second-generation clusters, as evidenced by an archipelago of aggregates found in a vicinity of mother colonies, which points to a mechanically regulated migratory behavior. PMID:24703316

  3. Renormalization group analysis of a Guersey-model-inspired field theory. II

    SciTech Connect

    Luetfueoglu, B. C.; Taskin, F.

    2007-11-15

    Recently a model, which is equivalent to the scalar form of a Guersey model, is shown to be a nontrivial field theoretical model when it is gauged with a SU(N) field. In this paper we study another model that is equivalent to the vector form of the Guersey model. We get a trivial theory when it is coupled with a scalar field. This result changes drastically when it is coupled with an additional SU(N) field. We find a nontrivial field theoretical model under certain conditions.

  4. Development of a livestock odor dispersion model: part II. Evaluation and validation.

    PubMed

    Yu, Zimu; Guo, Huiqing; Laguë, Claude

    2011-03-01

    A livestock odor dispersion model (LODM) was developed to predict odor concentration and odor frequency using routine hourly meteorological data input. The odor concentrations predicted by the LODM were compared with the results obtained from other commercial models (Industrial Source Complex Short-Term model, version 3, CALPUFF) to evaluate its appropriateness. Two sets of field odor plume measurement data were used to validate the model. The model-predicted mean odor concentrations and odor frequencies were compared with those measured. Results show that this model has good performance for predicting odor concentrations and odor frequencies. PMID:21416754

  5. Response surface modeling of Pb(II) removal from aqueous solution by Pistacia vera L.: Box-Behnken experimental design.

    PubMed

    Yetilmezsoy, Kaan; Demirel, Sevgi; Vanderbei, Robert J

    2009-11-15

    A three factor, three-level Box-Behnken experimental design combining with response surface modeling (RSM) and quadratic programming (QP) was employed for maximizing Pb(II) removal from aqueous solution by Antep pistachio (Pistacia vera L.) shells based on 17 different experimental data obtained in a lab-scale batch study. Three independent variables (initial pH of solution (pH(0)) ranging from 2.0 to 5.5, initial concentration of Pb(II) ions (C(0)) ranging from 5 to 50 ppm, and contact time (t(C)) ranging from 5 to 120 min) were consecutively coded as x(1), x(2) and x(3) at three levels (-1, 0 and 1), and a second-order polynomial regression equation was then derived to predict responses. The significance of independent variables and their interactions were tested by means of the analysis of variance (ANOVA) with 95% confidence limits (alpha=0.05). The standardized effects of the independent variables and their interactions on the dependent variable were also investigated by preparing a Pareto chart. The optimum values of the selected variables were obtained by solving the quadratic regression model, as well as by analysing the response surface contour plots. The optimum coded values of three test variables were computed as x(1)=0.125, x(2)=0.707, and x(3)=0.107 by using a LOQO/AMPL optimization algorithm. The experimental conditions at this global point were determined to be pH(0)=3.97, C(0)=43.4 ppm, and t(C)=68.7 min, and the corresponding Pb(II) removal efficiency was found to be about 100%. PMID:19577844

  6. [Algorithm for estimating chlorophyll-a concentration in case II water body based on bio-optical model].

    PubMed

    Yang, Wei; Chen, Jin; Mausushita, Bunki

    2009-01-01

    In the present study, a novel retrieval method for estimating chlorophyll-a concentration in case II waters based on bio-optical model was proposed and was tested with the data measured in the laboratory. A series of reflectance spectra, with which the concentration of each sample constituent (for example chlorophyll-a, NPSS etc.) was obtained from accurate experiments, were used to calculate the absorption and backscattering coefficients of the constituents of the case II waters. Then non-negative least square method was applied to calculate the concentration of chlorophyll-a and non-phytoplankton suspended sediments (NPSS). Green algae was firstly collected from the Kasumigaura lake in Japan and then cultured in the laboratory. The reflectance spectra of waters with different amounts of phytoplankton and NPSS were measured in the dark room using FieldSpec Pro VNIR (Analytical Spectral Devises Inc. , Boulder, CO, USA). In order to validate whether this method can be applied in multispectral data (for example Landsat TM), the spectra measured in the laboratory were resampled with Landsat TM bands 1, 2, 3 and 4. Different combinations of TM bands were compared to derive the most appropriate wavelength for detecting chlorophyll-a in case II water for green algae. The results indicated that the combination of TM bands 2, 3 and 4 achieved much better accuracy than other combinations, and the estimated concentration of chlorophyll-a was significantly more accurate than empirical methods. It is expected that this method can be directly applied to the real remotely sensed image because it is based on bio-optical model. PMID:19385201

  7. Two-Higgs-doublet type-II and -III models and t→ c h at the LHC

    NASA Astrophysics Data System (ADS)

    Arhrib, A.; Benbrik, R.; Chen, Chuan-Hung; Gomez-Bock, Melina; Semlali, Souad

    2016-06-01

    We study the constraints of the generic two-Higgs-doublet model (2HDM) type-III and the impacts of the new Yukawa couplings. For comparisons, we revisit the analysis in the 2HDM type-II. To understand the influence of all involving free parameters and to realize their correlations, we employ a χ -square fitting approach by including theoretical and experimental constraints, such as the S, T, and U oblique parameters, the production of standard model Higgs and its decay to γ γ , WW^*/ZZ^*, τ ^+τ ^-, etc. The errors of the analysis are taken at 68, 95.5, and 99.7 % confidence levels. Due to the new Yukawa couplings being associated with \\cos (β -α ) and sin (β -α ), we find that the allowed regions for sin α and tan β in the type-III model can be broader when the dictated parameter χ _F is positive; however, for negative χ _F, the limits are stricter than those in the type-II model. By using the constrained parameters, we find that the deviation from the SM in h→ Zγ can be of mathcal{O}(10 %). Additionally, we also study the top-quark flavor-changing processes induced at the tree level in the type-III model and find that when all current experimental data are considered, we get Br(t→ c(h, H) )< 10^{-3} for m_h=125.36 and m_H=150 GeV, and Br(t→ cA) slightly exceeds 10^{-3} for m_A =130 GeV.

  8. Diacetylbis(N(4)-methylthiosemicarbazonato) Copper(II) (CuII(atsm)) Protects against Peroxynitrite-induced Nitrosative Damage and Prolongs Survival in Amyotrophic Lateral Sclerosis Mouse Model*

    PubMed Central

    Soon, Cynthia P. W.; Donnelly, Paul S.; Turner, Bradley J.; Hung, Lin W.; Crouch, Peter J.; Sherratt, Nicki A.; Tan, Jiang-Li; Lim, Nastasia K.-H.; Lam, Linh; Bica, Laura; Lim, SinChun; Hickey, James L.; Morizzi, Julia; Powell, Andrew; Finkelstein, David I.; Culvenor, Janetta G.; Masters, Colin L.; Duce, James; White, Anthony R.; Barnham, Kevin J.; Li, Qiao-Xin

    2011-01-01

    Amyotrophic lateral sclerosis (ALS) is a progressive paralyzing disease characterized by tissue oxidative damage and motor neuron degeneration. This study investigated the in vivo effect of diacetylbis(N(4)-methylthiosemicarbazonato) copper(II) (CuII(atsm)), which is an orally bioavailable, blood-brain barrier-permeable complex. In vitro the compound inhibits the action of peroxynitrite on Cu,Zn-superoxide dismutase (SOD1) and subsequent nitration of cellular proteins. Oral treatment of transgenic SOD1G93A mice with CuII(atsm) at presymptomatic and symptomatic ages was performed. The mice were examined for improvement in lifespan and motor function, as well as histological and biochemical changes to key disease markers. Systemic treatment of SOD1G93A mice significantly delayed onset of paralysis and prolonged lifespan, even when administered to symptomatic animals. Consistent with the properties of this compound, treated mice had reduced protein nitration and carbonylation, as well as increased antioxidant activity in spinal cord. Treatment also significantly preserved motor neurons and attenuated astrocyte and microglial activation in mice. Furthermore, CuII(atsm) prevented the accumulation of abnormally phosphorylated and fragmented TAR DNA-binding protein-43 (TDP-43) in spinal cord, a protein pivotal to the development of ALS. CuII(atsm) therefore represents a potential new class of neuroprotective agents targeting multiple major disease pathways of motor neurons with therapeutic potential for ALS. PMID:22033929

  9. Unbound position II in MXCXXC metallochaperone model peptides impacts metal binding mode and reactivity: Distinct similarities to whole proteins.

    PubMed

    Shoshan, Michal S; Dekel, Noa; Goch, Wojciech; Shalev, Deborah E; Danieli, Tsafi; Lebendiker, Mario; Bal, Wojciech; Tshuva, Edit Y

    2016-06-01

    The effect of position II in the binding sequence of copper metallochaperones, which varies between Thr and His, was investigated through structural analysis and affinity and oxidation kinetic studies of model peptides. A first Cys-Cu(I)-Cys model obtained for the His peptide at acidic and neutral pH, correlated with higher affinity and more rapid oxidation of its complex; in contrast, the Thr peptide with the Cys-Cu(I)-Met coordination under neutral conditions demonstrated weaker and pH dependent binding. Studies with human antioxidant protein 1 (Atox1) and three of its mutants where S residues were replaced with Ala suggested that (a) the binding affinity is influenced more by the binding sequence than by the protein fold (b) pH may play a role in binding reactivity, and (c) mutating the Met impacted the affinity and oxidation rate more drastically than did mutating one of the Cys, supporting its important role in protein function. Position II thus plays a dominant role in metal binding and transport. PMID:26901629

  10. METHANOGENESIS AND SULFATE REDUCTION IN CHEMOSTATS: II. MODEL DEVELOPMENT AND VERIFICATION

    EPA Science Inventory

    A comprehensive dynamic model is presented that simulates methanogenesis and sulfate reduction in a continuously stirred tank reactor (CSTR). his model incorporates the complex chemistry of anaerobic systems. alient feature of the model is its ability to predict the effluent conc...

  11. SCIENTIFIC UNCERTAINTIES IN ATMOSPHERIC MERCURY MODELS II: SENSITIVITY ANALYSIS IN THE CONUS DOMAIN

    EPA Science Inventory

    In this study, we present the response of model results to different scientific treatments in an effort to quantify the uncertainties caused by the incomplete understanding of mercury science and by model assumptions in atmospheric mercury models. Two sets of sensitivity simulati...

  12. METHANOGENESIS AND SULFATE REDUCTION IN CHEMOSTATS: II. MODEL DEVELOPMENT AND VERIFICATION

    EPA Science Inventory

    A comprehensive dynamic model is presented that simulates methanogenesis and sulfate reduction in a continuously stirred tank reactor (CSTR). This model incorporates the complex chemistry of anaerobic systems. A salient feature of the model is its ability to predict the effluent ...

  13. The STEM-II regional scale acid deposition and photochemical oxidant model—I. An overview of model development and applications

    NASA Astrophysics Data System (ADS)

    Carmichael, Gregory R.; Peters, Leonard K.; Saylor, Rick D.

    The STEM-II pollutant transport/transformation/removal model has been enhanced to include scavenging by clouds and precipitation. The Advanced Scavenging Model (ASM) and Reactive Scavenging Model (RSM) have been coupled to STEM-II to enable comprehensive simulation and diagnosis analysis of field experiments designed to study acid deposition. In this paper, the STEM-II/ASM/RSM model is described. The coupled model is being used to analyze the PRECP-I field studies on an urban/suburban scale (Philadelphia), mesoscale (lower Ohio River Valley), and regional scale (eastern U.S.). The time period selected for detailed simulations and analysis is 29 April-5 May 1985. Subsequent papers will detail the results of these simulations.

  14. AERMOD: A Dispersion Model for Industrial Source Applications. Part II: Model Performance against 17 Field Study Databases.

    NASA Astrophysics Data System (ADS)

    Perry, Steven G.; Cimorelli, Alan J.; Paine, Robert J.; Brode, Roger W.; Weil, Jeffrey C.; Venkatram, Akula; Wilson, Robert B.; Lee, Russell F.; Peters, Warren D.

    2005-05-01

    The performance of the American Meteorological Society (AMS) and U.S. Environmental Protection Agency (EPA) Regulatory Model (AERMOD) Improvement Committee's applied air dispersion model against 17 field study databases is described. AERMOD is a steady-state plume model with significant improvements over commonly applied regulatory models. The databases are characterized, and the performance measures are described. Emphasis is placed on statistics that demonstrate the model's abilities to reproduce the upper end of the concentration distribution. This is most important for applied regulatory modeling. The field measurements are characterized by flat and complex terrain, urban and rural conditions, and elevated and surface releases with and without building wake effects. As is indicated by comparisons of modeled and observed concentration distributions, with few exceptions AERMOD's performance is superior to that of the other applied models tested. This is the second of two articles, with the first describing the model formulations.

  15. Prediction of the copper (II) ions dynamic removal from a medium by using mathematical models with analytical solution.

    PubMed

    Borba, Carlos Eduardo; da Silva, Edson Antônio; Fagundes-Klen, Márcia R; Kroumov, Alexander D; Guirardello, Reginaldo

    2008-03-21

    A copper (II) ions biosorption by Sargassum sp. biomass was studied in a fixed bed column at 30 degrees C and pH 3.5. The experimental curves were obtained for the following feed concentrations -2.08, 4.16, 6.42 and 12.72mmol/L of the copper ions. The mathematical models developed by Thomas and Bohart-Adams were used for description of ions sorption process in the column. The models principle hypothesis is that the mass transfer controlling stage of the process is the adsorption kinetics between sorbate and adsorbent. The phenomena such as intraparticle diffusion, a mass transfer external resistance and axial dispersion effects were out of considerations. Some of the models parameters were experimentally determined (rho(B), epsilon, u(0), C(0)) and the others were evaluated on the bases of the experimental data (k(a1), k(a2)). The unique fitting parameter in all models was the adsorption kinetic constant. The identification procedure was based on the least square statistical method. Simulation results show that the models describe well a copper ions sorption process in a fixed bed column. The used models can be considered as useful tools for adsorption process design and optimization in fixed bed column by using algae biomass of Sargassum sp. as an adsorbent. PMID:17706867

  16. Model for oxygen recombination on silicon-dioxide surfaces. II - Implications toward reentry heating

    NASA Technical Reports Server (NTRS)

    Jumper, E. J.; Seward, W. A.

    1992-01-01

    This paper briefly reviews the model for recombination of oxygen on a silicon-dioxide surface presented in detail in a previous paper. New data supporting the model is also presented. The ramifications of the model toward the production of excited molecular oxygen is examined as it pertains to surface heating. A reentry simulation is given and compared to STS-2 reentry data, and conclusions are drawn as to the implications of the recombination model toward reentry heating. A possible buffering of the heating above a critical temperature associated with the physics of the model is also discussed.

  17. Phase II Testing of Liquid Cooling Garments Using a Sweating Manikin, Controlled by a Human Physiological Model

    NASA Technical Reports Server (NTRS)

    Paul, Heather; Trevino, Luis; Bue,Grant; Rugh, John

    2006-01-01

    An Advanced Automotive Manikin (ADAM) developed at the National Renewable Energy Laboratory (NREL) is used to evaluate NASA's liquid cooling garments (LCGs) used in advanced space suits for extravehicular applications. The manikin has 120 separate heated/sweating zones and is controlled by a finite element physiological model of the human thermoregulatory system. Previous testing showed the thermal sensation and comfort followed the expected trends as the LCG inlet fluid temperature was changed. The Phase II test data demonstrates the repeatability of ADAM by retesting the baseline LCG. Skin and core temperature predictions using ADAM in an LCG/Arctic suit combination are compared to NASA physiological data to validate the manikin/model. Additional LCG configurations are assessed using the manikin and compared to the baseline LCG. Results can extend to other personal protective clothing, including HAZMAT suits, nuclear/biological/chemical protective suits, and fire protection suits.

  18. Dynamical behavior of a rumor transmission model with Holling-type II functional response in emergency event

    NASA Astrophysics Data System (ADS)

    Huo, Liang'an; Jiang, Jiehui; Gong, Sixing; He, Bing

    2016-05-01

    Rumor transmission has become an important issue in emergency event. In this paper, a rumor transmission model with Holling-type II functional response was proposed, which provides excellent explanations of the scientific knowledge effect with rumor spreading. By a global analysis of the model and studying the stability of the rumor-free equilibrium and the rumor-endemic equilibrium, we found that the number of infective individuals equal to zero or positive integer as time went on. A numerical simulation is carried out to illustrate the feasibility of our main results. The results will provide the theoretical support to rumor control in emergency event and also provide decision makers references for the public opinions management.

  19. Validating the Serpent Model of FiR 1 Triga Mk-II Reactor by Means of Reactor Dosimetry

    NASA Astrophysics Data System (ADS)

    Viitanen, Tuomas; Leppänen, Jaakko

    2016-02-01

    A model of the FiR 1 Triga Mk-II reactor has been previously generated for the Serpent Monte Carlo reactor physics and burnup calculation code. In the current article, this model is validated by comparing the predicted reaction rates of nickel and manganese at 9 different positions in the reactor to measurements. In addition, track-length estimators are implemented in Serpent 2.1.18 to increase its performance in dosimetry calculations. The usage of the track-length estimators is found to decrease the reaction rate calculation times by a factor of 7-8 compared to the standard estimator type in Serpent, the collision estimators. The differences in the reaction rates between the calculation and the measurement are below 20%.

  20. Bianisotropic-critical-state model to study flux cutting in type-II superconductors at parallel geometry

    NASA Astrophysics Data System (ADS)

    Romero-Salazar, C.

    2016-04-01

    A critical-state model is postulated that incorporates, for the first time, the structural anisotropy and flux-line cutting effect in a type-II superconductor. The model is constructed starting from the theoretical scheme of Romero-Salazar and Pérez-Rodríguez to study the anisotropy induced by flux cutting. Here, numerical calculations of the magnetic induction and static magnetization are presented for samples under an alternating magnetic field, orthogonal to a static dc-bias one. The interplay of the two anisotropies is analysed by comparing the numerical results with available experimental data for an yttrium barium copper oxide (YBCO) plate, and a vanadium-titanium (VTi) strip, subjected to a slowly oscillating field {H}y({H}z) in the presence of a static field {H}z({H}y).

  1. Elastic and Piezoelectric Properties of Boron Nitride Nanotube Composites. Part II; Finite Element Model

    NASA Technical Reports Server (NTRS)

    Kim, H. Alicia; Hardie, Robert; Yamakov, Vesselin; Park, Cheol

    2015-01-01

    This paper is the second part of a two-part series where the first part presents a molecular dynamics model of a single Boron Nitride Nanotube (BNNT) and this paper scales up to multiple BNNTs in a polymer matrix. This paper presents finite element (FE) models to investigate the effective elastic and piezoelectric properties of (BNNT) nanocomposites. The nanocomposites studied in this paper are thin films of polymer matrix with aligned co-planar BNNTs. The FE modelling approach provides a computationally efficient way to gain an understanding of the material properties. We examine several FE models to identify the most suitable models and investigate the effective properties with respect to the BNNT volume fraction and the number of nanotube walls. The FE models are constructed to represent aligned and randomly distributed BNNTs in a matrix of resin using 2D and 3D hollow and 3D filled cylinders. The homogenisation approach is employed to determine the overall elastic and piezoelectric constants for a range of volume fractions. These models are compared with an analytical model based on Mori-Tanaka formulation suitable for finite length cylindrical inclusions. The model applies to primarily single-wall BNNTs but is also extended to multi-wall BNNTs, for which preliminary results will be presented. Results from the Part 1 of this series can help to establish a constitutive relationship for input into the finite element model to enable the modeling of multiple BNNTs in a polymer matrix.

  2. Signal classification using global dynamical models, Part II: SONAR data analysis

    NASA Astrophysics Data System (ADS)

    Kremliovsky, Michael; Kadtke, James

    1996-06-01

    In Part I of this paper, we described a numerical method for nonlinear signal detection and classification which made use of techniques borrowed from dynamical systems theory. Here in Part II of the paper, we will describe an example of data analysis using this method, for data consisting of open ocean acoustic (SONAR) recordings of marine mammal transients, supplied from NUWC sources. The purpose here is two-fold: first to give a more operational description of the technique and provide rules-of-thumb for parameter choices; and second to discuss some new issues raised by the analysis of non-ideal (real-world) data sets. The particular data set considered here is quite non-stationary, relatively noisy, is not clearly localized in the background, and as such provides a difficult challenge for most detection/classification schemes.

  3. A dynamic model for PC4 coactivator function in RNA polymerase II transcription

    PubMed Central

    Malik, Sohail; Guermah, Mohamed; Roeder, Robert G.

    1998-01-01

    Human positive cofactor (PC4) acts as a general coactivator for activator-dependent transcription by RNA polymerase II. Here we show that PC4 coactivator function, in contrast to basal (activator-independent) transcription, is dependent both on TATA binding protein (TBP)-associated factors (TAFs) in TFIID and on TFIIH. Surprisingly, PC4 strongly represses transcription initiation by minimal preinitiation complexes in the absence of TAFs and TFIIH, while simultaneously promoting the formation of these complexes. Furthermore, TFIIH and TAFII250, the largest subunit of TFIID, can both phosphorylate PC4. These results provide evidence for an inactive, PC4-induced intermediate in preinitiation complex assembly and point to TFIIH and TAF requirements for its progression into a functional preinitiation complex. Thus PC4 coactivator activity is realized in a stepwise series of events reminiscent of prokaryotic activation pathways involving conversion of inactive RNA polymerase-promoter complexes to an initiation-competent state. PMID:9482861

  4. Genetic effects of ATP1A2 in familial hemiplegic migraine type II and animal models

    PubMed Central

    2013-01-01

    Na+/K+-ATPase alpha 2 (Atp1a2) is an integral plasma membrane protein belonging to the P-type ATPase family that is responsible for maintaining the sodium (Na+) and potassium (K+) gradients across cellular membranes with hydrolysis of ATP. Atp1a2 contains two subunits, alpha and beta, with each having various isoforms and differential tissue distribution. In humans, mutations in ATP1A2 are associated with a rare form of hereditary migraines with aura known as familial hemiplegic migraine type II. Genetic studies in mice have revealed other neurological effects of Atp1a2 in mice including anxiety, fear, and learning and motor function disorders. This paper reviews the recent findings in the literature concerning Atp1a2. PMID:23561701

  5. Signal classification using global dynamical models, Part II: SONAR data analysis

    SciTech Connect

    Kremliovsky, M.; Kadtke, J.

    1996-06-01

    In Part I of this paper, we described a numerical method for nonlinear signal detection and classification which made use of techniques borrowed from dynamical systems theory. Here in Part II of the paper, we will describe an example of data analysis using this method, for data consisting of open ocean acoustic (SONAR) recordings of marine mammal transients, supplied from NUWC sources. The purpose here is two-fold: first to give a more operational description of the technique and provide rules-of-thumb for parameter choices; and second to discuss some new issues raised by the analysis of non-ideal (real-world) data sets. The particular data set considered here is quite non-stationary, relatively noisy, is not clearly localized in the background, and as such provides a difficult challenge for most detection/classification schemes. {copyright} {ital 1996 American Institute of Physics.}

  6. Modeling of Iron K Lines: Radiative and Auger Decay Data for Fe II-Fe IX

    NASA Technical Reports Server (NTRS)

    Palmeri, P.; Mendoza, C.; Kallman, T. R.; Bautista, M. A.; Melendez, M.

    2003-01-01

    A detailed analysis of the radiative and Auger de-excitation channels of K-shell vacancy states in Fe II-Fe IX has been carried out. Level energies, wavelengths, A-values, Auger rates and fluorescence yields have been calculated for the lowest fine-structure levels populated by photoionization of the ground state of the parent ion. Different branching ratios, namely K alpha 2/K alpha 1, K beta/K alpha, KLM/KLL, KMM/KLL, and the total K-shell fluorescence yields, omega(sub k), obtained in the present work have been compared with other theoretical data and solid-state measurements, finding good general agreement with the latter. The Kalpha 2/K alpha l ratio is found to be sensitive to the excitation mechanism. From these comparisons it has been possible to estimate an accuracy of approx.10% for the present transition probabilities.

  7. Microscopic Modeling of Intersubband Optical Processes in Type II Semiconductor Quantum Wells: Linear Absorption

    NASA Technical Reports Server (NTRS)

    Li, Jian-Zhong; Kolokolov, Kanstantin I.; Ning, Cun-Zheng

    2003-01-01

    Linear absorption spectra arising from intersubband transitions in semiconductor quantum well heterostructures are analyzed using quantum kinetic theory by treating correlations to the first order within Hartree-Fock approximation. The resulting intersubband semiconductor Bloch equations take into account extrinsic dephasing contributions, carrier-longitudinal optical phonon interaction and carrier-interface roughness interaction which is considered with Ando s theory. As input for resonance lineshape calculation, a spurious-states-free 8-band kp Hamiltonian is used, in conjunction with the envelop function approximation, to compute self-consistently the energy subband structure of electrons in type II InAs/AlSb single quantum well structures. We demonstrate the interplay of nonparabolicity and many-body effects in the mid-infrared frequency range for such heterostructures.

  8. Adsorption models of 137Cs radionuclide and Sr (II) on some Egyptian soils.

    PubMed

    Kamel, Nariman H M

    2010-04-01

    Distribution of cesium (134Cs and 137Cs) and strontium (Sr-II) between soil/water phases depends on many factors such as concentration of these ions between phases, the cation exchange capacity (CEC) of the soil as well as its clay content, chemical composition (especially Na, K, Ca, and Mg ions), grain size distribution, calcite, iron oxide content, and organic coatings. Distribution coefficients (Kd) of cesium (labeled with 137Cs) and strontium were measured on the grain size distributions > or = 32 microm of four soil samples. These soils were obtained from four different locations within Inshas site in Egypt and three groundwater samples were obtained from the same site locations. X-ray diffraction showed that the soil samples consisted mainly of quartz mixed with the minor amounts of kaolonite and clay minerals. Sorption experiments were carried out at strontium aqueous concentrations range 10(-7) to 10(-4) mol l(-1). The CEC and Kds for cesium and strontium were measured at the same metal concentrations range. Distribution coefficients of cesium were found to be influenced by the composition of the soil, while the distribution coefficients of strontium were found to depend on calcium concentrations in the soil/groundwater system. The aim of this study was to determine the safety assessment of disposal 137Cs radionuclide and Sr(II) in the aquifer regions inside the Inshas site. Sequential extraction tests showed that, strontium was associated with the carbonate fractions and majority of cesium was sorbed on the iron oxides and the residue. PMID:20167404

  9. Performance of the ITER ICRH system as expected from TOPICA and ANTITER II modelling

    NASA Astrophysics Data System (ADS)

    Messiaen, A.; Koch, R.; Weynants, R. R.; Dumortier, P.; Louche, F.; Maggiora, R.; Milanesio, D.

    2010-02-01

    The performance on plasma of the antennas of the proposed ITER ICRF system is evaluated by means of the antenna 24 × 24 impedance matrix provided by the TOPICA code and confirmed and interpreted by the semi-analytical code ANTITER II (summarized in an appendix). From this analysis the following system characteristics can be derived: (1) a roughly constant power capability in the entire 40-55 MHz frequency band with the same maximum voltage in the eight feeding lines is obtained for all the considered heating and current drive phasings on account of the broadbanding effect of service stubs. (2) The power capability of the array significantly depends on the distance of the antenna to the separatrix, the density profile in the scrape-off layer (SOL) and on the strap current toroidal and poloidal phasings. The dependence on phasing is stronger for wider SOL. (3) To exceed a radiated power capability of 20 MW per antenna array in the upper part of the frequency band, with a separatrix-wall distance of 17 cm and a conservative short decay plasma edge density profile, the system voltage stand-off must be 45 kV and well chosen combinations of toroidal and poloidal phasing are needed. (4) On account of the plasma gyrotropy and of poloidal magnetic field, special care must be taken in choosing the optimal toroidal current drive and poloidal phasings. The ANTITER II analysis shows furthermore that important coaxial and surface mode excitation can only be expected in the monopole toroidal phasing, that strong wave reflection from a steep density profile significantly reduces the coupling even if the separatrix is closer to the antenna and that the part of the edge density profile having a density lower than the cut-off density pertaining to the considered phasing does not significantly contribute to the coupling.

  10. A theory of drug tolerance and dependence II: the mathematical model.

    PubMed

    Peper, Abraham

    2004-08-21

    The preceding paper presented a model of drug tolerance and dependence. The model assumes the development of tolerance to a repeatedly administered drug to be the result of a regulated adaptive process. The oral detection and analysis of exogenous substances is proposed to be the primary stimulus for the mechanism of drug tolerance. Anticipation and environmental cues are in the model considered secondary stimuli, becoming primary in dependence and addiction or when the drug administration bypasses the natural-oral-route, as is the case when drugs are administered intravenously. The model considers adaptation to the effect of a drug and adaptation to the interval between drug taking autonomous tolerance processes. Simulations with the mathematical model demonstrate the model's behaviour to be consistent with important characteristics of the development of tolerance to repeatedly administered drugs: the gradual decrease in drug effect when tolerance develops, the high sensitivity to small changes in drug dose, the rebound phenomenon and the large reactions following withdrawal in dependence. The present paper discusses the mathematical model in terms of its design. The model is a nonlinear, learning feedback system, fully satisfying control theoretical principles. It accepts any form of the stimulus-the drug intake-and describes how the physiological processes involved affect the distribution of the drug through the body and the stability of the regulation loop. The mathematical model verifies the proposed theory and provides a basis for the implementation of mathematical models of specific physiological processes. PMID:15246786

  11. A Model for Providing Guidance Services in Elementary Schools: A Generalist-Preventive Approach. Implemented Model. Maxi II Practicum.

    ERIC Educational Resources Information Center

    Horne, Sydney B.

    The purpose of this practicum was to develop, implement, and evaluate a model for elementary school guidance at Northwoods Elementary School, if the need for such a model could be demonstrated. The need was demonstrated, the model was developed and tested. Subsequent investigation demonstrated that guidance services were increased as a result of…

  12. AERMOD: A DISPERSION MODEL FOR INDUSTRIAL SOURCE APPLICATIONS PART II: MODEL PERFORMANCE AGAINST 17 FIELD STUDY DATABASES

    EPA Science Inventory

    The formulations of the AMS/EPA Regulatory Model Improvement Committee's applied air dispersion model (AERMOD) are described. This is the second in a series of three articles. Part I describes the model's methods for characterizing the atmospheric boundary layer and complex ter...

  13. Understanding Shock Dynamics in the Inner Heliosphere with Modeling and Type II Radio Data: the 2010-04-03 Event

    NASA Technical Reports Server (NTRS)

    Xie, Hong Na; Odstrcil, Dusan; Mays, L.; Cyr, O. C. St.; Gopalswamy, N.; Cremades, H.

    2012-01-01

    The 2010 April 03 solar event was studied using observations from STEREO SECCHI, SOHO LASCO, and Wind kilometric Type II data (kmTII) combined with WSA-Cone-ENLIL model simulations performed at the Community Coordinated Modeling Center (CCMC). In particular, we identified the origin of the coronal mass ejection (CME) using STEREO EUVI and SOHO EIT images. A flux-rope model was fit to the SECCHI A and B, and LASCO images to determine the CMEs direction, size, and actual speed. J-maps from STEREO COR2HI-1HI-2 and simulations fromCCMC were used to study the formation and evolution of the shock in the inner heliosphere. In addition, we also studied the time-distance profile of the shock propagation from kmTII radio burst observations. The J-maps together with in-situ datafrom the Wind spacecraft provided an opportunity to validate the simulation results andthe kmTII prediction. Here we report on a comparison of two methods of predictinginterplanetary shock arrival time: the ENLIL model and the kmTII method; andinvestigate whether or not using the ENLIL model density improves the kmTIIprediction. We found that the ENLIL model predicted the kinematics of shock evolutionwell. The shock arrival times (SAT) and linear-fit shock velocities in the ENLILmodel agreed well with those measurements in the J-maps along both the CME leading edge and the Sun-Earth line. The ENLIL model also reproduced most of the largescale structures of the shock propagation and gave the SAT prediction at Earth with an error of 17 hours. The kmTII method predicted the SAT at Earth with an error of 15 hours when using n0 4.16 cm3, the ENLIL model plasma density near Earth; but itimproved to 2 hours when using n0 6.64 cm3, the model density near the CMEleading edge at 1 AU.

  14. Modeling of the HiPco process for carbon nanotube production. II. Reactor-scale analysis

    NASA Technical Reports Server (NTRS)

    Gokcen, Tahir; Dateo, Christopher E.; Meyyappan, M.

    2002-01-01

    The high-pressure carbon monoxide (HiPco) process, developed at Rice University, has been reported to produce single-walled carbon nanotubes from gas-phase reactions of iron carbonyl in carbon monoxide at high pressures (10-100 atm). Computational modeling is used here to develop an understanding of the HiPco process. A detailed kinetic model of the HiPco process that includes of the precursor, decomposition metal cluster formation and growth, and carbon nanotube growth was developed in the previous article (Part I). Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. The diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by the Boudouard reaction with metal catalysts. Based on the detailed model simulations, a reduced kinetic model was also developed in Part I for use in reactor-scale flowfield calculations. Here this reduced kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance. Carbon nanotube growth is examined with respect to several process variables (peripheral jet temperature, reactor pressure, and Fe(CO)5 concentration) with the use of the axisymmetric model, and the computed results are compared with existing experimental data. The model yields most of the qualitative trends observed in the experiments and helps to understanding the fundamental processes in HiPco carbon nanotube production.

  15. Improving the modelling of redshift-space distortions - II. A pairwise velocity model covering large and small scales

    NASA Astrophysics Data System (ADS)

    Bianchi, Davide; Percival, Will J.; Bel, Julien

    2016-09-01

    We develop a model for the redshift-space correlation function, valid for both dark matter particles and halos on scales >5 h-1Mpc. In its simplest formulation, the model requires the knowledge of the first three moments of the line-of-sight pairwise velocity distribution plus two well-defined dimensionless parameters. The model is obtained by extending the Gaussian-Gaussianity prescription for the velocity distribution, developed in a previous paper, to a more general concept allowing for local skewness, which is required to match simulations. We compare the model with the well known Gaussian streaming model and the more recent Edgeworth streaming model. Using N-body simulations as a reference, we show that our model gives a precise description of the redshift-space clustering over a wider range of scales. We do not discuss the theoretical prescription for the evaluation of the velocity moments, leaving this topic to further investigation.

  16. D1 fragmentation in photosystem II repair caused by photo-damage of a two-step model.

    PubMed

    Kato, Yusuke; Ozawa, Shin-Ichiro; Takahashi, Yuichiro; Sakamoto, Wataru

    2015-12-01

    Light energy drives photosynthesis, but it simultaneously inactivates photosynthetic mechanisms. A major target site of photo-damage is photosystem II (PSII). It further targets one reaction center protein, D1, which is maintained efficiently by the PSII repair cycle. Two proteases, FtsH and Deg, are known to contribute to this process, respectively, by efficient degradation of photo-damaged D1 protein processively and endoproteolytically. This study tested whether the D1 cleavage accomplished by these proteases is affected by different monochromic lights such as blue and red light-emitting-diode light sources, remaining mindful that the use of these lights distinguishes the current models for photoinhibition: the excess-energy model and the two-step model. It is noteworthy that in the two-step model, primary damage results from the absorption of light energy in the Mn-cluster, which can be enhanced by a blue rather than a red light source. Results showed that blue and red lights affect D1 degradation differently. One prominent finding was that D1 fragmentation that is specifically generated by luminal Deg proteases was enhanced by blue light but not by red light in the mutant lacking FtsH2. Although circumstantial, this evidence supports a two-step model of PSII photo-damage. We infer that enhanced D1 fragmentation by luminal Deg proteases is a response to primary damage at the Mn-cluster. PMID:25893898

  17. On the quasi-steady aerodynamics of normal hovering flight part II: model implementation and evaluation.

    PubMed

    Nabawy, Mostafa R A; Crowther, William J

    2014-05-01

    This paper introduces a generic, transparent and compact model for the evaluation of the aerodynamic performance of insect-like flapping wings in hovering flight. The model is generic in that it can be applied to wings of arbitrary morphology and kinematics without the use of experimental data, is transparent in that the aerodynamic components of the model are linked directly to morphology and kinematics via physical relationships and is compact in the sense that it can be efficiently evaluated for use within a design optimization environment. An important aspect of the model is the method by which translational force coefficients for the aerodynamic model are obtained from first principles; however important insights are also provided for the morphological and kinematic treatments that improve the clarity and efficiency of the overall model. A thorough analysis of the leading-edge suction analogy model is provided and comparison of the aerodynamic model with results from application of the leading-edge suction analogy shows good agreement. The full model is evaluated against experimental data for revolving wings and good agreement is obtained for lift and drag up to 90° incidence. Comparison of the model output with data from computational fluid dynamics studies on a range of different insect species also shows good agreement with predicted weight support ratio and specific power. The validated model is used to evaluate the relative impact of different contributors to the induced power factor for the hoverfly and fruitfly. It is shown that the assumption of an ideal induced power factor (k = 1) for a normal hovering hoverfly leads to a 23% overestimation of the generated force owing to flapping. PMID:24554578

  18. Cathode pressure modeling of the Buckeye Bullet II 500kW PEM fuel cell system

    NASA Astrophysics Data System (ADS)

    Hillstrom, Edward T.

    This dissertation details the development of a model that simulates the pressure dynamics of the cathode supply system for the Buckeye Bullet 2, the worlds fastest hydrogen fuel cell vehicle. Due to the extreme power levels of the BB2 system, and the unique use of heliox as the oxidant supply, it is shown that existing system level models for predicting the fuel cell pressure dynamics do not adequately capture the dynamics of the BB2 system. Several modeling attempts are evaluated, and eventually the most robust model is a model which is derived from a rational system decomposition of the cathode system. By separating the major losses of the cathode system into an upstream and downstream resistance, the performance of the model is significantly improved. It is shown that the rate at which water exits the cathode plays a significant role accurately capturing the pressure dynamics. With this in mind, a distributed parameter model is developed to provide estimates of how the rate of liquid water removal from cathode changes with time. The results of this model are validated through physical testing. The resulting model relies on five empirically tunable parameters to tune the model performance to match that of the system. The method of calibrating these parameters is outlined, and the resulting model developed with stationary test data is compared to data from the actual BB2 race data. Only a few parameters need to be recalibrated, which is due to physical system differences between the data from the stationary tests and the race data.

  19. Probing cosmology with weak lensing selected clusters. II. Dark energy and f(R) gravity models

    NASA Astrophysics Data System (ADS)

    Shirasaki, Masato; Hamana, Takashi; Yoshida, Naoki

    2016-02-01

    Ongoing and future wide-field galaxy surveys can be used to locate a number of clusters of galaxies with cosmic shear measurement alone. We study constraints on cosmological models using statistics of weak lensing selected galaxy clusters. We extend our previous theoretical framework to model the statistical properties of clusters in variants of cosmological models as well as in the standard ΛCDM model. Weak lensing selection of clusters does not rely on conventional assumptions such as the relation between luminosity and mass and/or hydrostatic equilibrium, but a number of observational effects compromise robust identification. We use a large set of realistic mock weak lensing catalogs as well as analytic models to perform a Fisher analysis and make a forecast for constraining two competing cosmological models, the wCDM model and f(R) model proposed by Hu and Sawicki (2007, Phys. Rev. D, 76, 064004), with our lensing statistics. We show that weak lensing selected clusters are excellent probes of cosmology when combined with cosmic shear power spectrum even in the presence of galaxy shape noise and masked regions. With the information from weak lensing selected clusters, the precision of cosmological parameter estimates can be improved by a factor of ˜1.6 and ˜8 for the wCDM model and f(R) model, respectively. The Hyper Suprime-Cam survey with sky coverage of 1250 degrees squared can constrain the equation of state of dark energy w0 with a level of Δw0 ˜ 0.1. It can also constrain the additional scalar degree of freedom in the f(R) model with a level of |fR0| ˜ 5 × 10-6, when constraints from cosmic microwave background measurements are incorporated. Future weak lensing surveys with sky coverage of 20000 degrees squared will place tighter constraints on w0 and |fR0| even without cosmic microwave background measurements.

  20. Assessing Wildlife Habitat Value of New England Salt Marshes: II. Model Testing and Validation

    EPA Science Inventory

    We test a previously described model to assess the wildlife habitat value of New England salt marshes by comparing modeled habitat values and scores with bird abundance and species richness at sixteen salt marshes in Narragansett Bay, Rhode Island USA. Assessment scores ranged f...

  1. Reanalysis of x ray emission from M87 II: Multiphase models

    NASA Technical Reports Server (NTRS)

    Tsai, John C.; Bertschinger, Edmund

    1992-01-01

    In a previous paper by the authors (hereafter TB), it was shown that the hot intracluster gas around M87 could not be adequately explained in terms of a spherically symmetric, single phase model. It was found that although data from the Einstein satellite High Resolution Imager (HRI), Imaging Proportional Counter (IPC), and Focal Point Crystal Spectrometer (FPCS) could indeed be simultaneously explained by a single phase model, data from the Solid State Spectrometer (SSS) and optically determined mass estimates could not be similarly explained. A qualitative discussion was then given to indicate how the adoption of a specific multiphase model could plausibly improve upon the single phase model, but a detailed discussion was delayed until now. The x ray data is reanalyzed for the gas around M87 in the same spirit as the work in TB. That is, by assuming several cooling flow models, the shortcomings are improved upon. The procedure of TB was adopted and the data reanalyzed in the following manner: a multiphase model is assumed which can compute the surface brightness as seen by HRI and IPC. Also, the line fluxes can be computed of the lines seen by the FPCS and the mass profile after assuming hydrostatic equilibrium. The parameters of the model are then adjusted to fit the data. A check is then made to see whether the resulting model is consistent with the SSS spectrum and the equivalent width of the 7 keV complex of Fe lines as seen by large field of view instruments.

  2. PREDICTING ER BINDING AFFINITY FOR EDC RANKING AND PRIORITIZATION: MODEL II

    EPA Science Inventory

    The training set used to derive a common reactivity pattern (COREPA) model for estrogen receptor (ER) binding affinity in Model I (see Abstract I in this series) was extended to include 47 rat estrogen receptor (rER) relative binding affinity (RBA) measurements in addition to the...

  3. A MATHEMATICAL MODEL OF ELECTROSTATIC PRECIPITATION. (REVISION 1): VOLUME II. USER MANUAL

    EPA Science Inventory

    The report gives a comprehensive description of how to use the computer program which performs the calculations in the mathematical model of electrostatic precipitation, and instructs in the proper usage of the model. It describes in detail input and output data associated with t...

  4. 78 FR 5765 - Wireline Competition Bureau Releases Connect America Phase II Cost Model Virtual Workshop...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-28

    ... Communications Commission (Commission) released the USF/ICC Transformation Order, 76 FR 73829, November 29, 2011... Bureau released the Request for Models PN, 76 FR 80941, December 27, 2011, inviting interested parties to..., and thereafter, on June 8, 2012, the Bureau released the Model Design PN, 77 FR 38804, June 29,...

  5. Game Object Model Version II: A Theoretical Framework for Educational Game Development

    ERIC Educational Resources Information Center

    Amory, Alan

    2007-01-01

    Complex computer and video games may provide a vehicle, based on appropriate theoretical concepts, to transform the educational landscape. Building on the original game object model (GOM) a new more detailed model is developed to support concepts that educational computer games should: be relevant, explorative, emotive, engaging, and include…

  6. Evaluation of Vocational Technical Education. Phase II. A Skeletal Model with Suggested Research and Development Activities.

    ERIC Educational Resources Information Center

    New Educational Directions, Crawfordsville, IN.

    Phase 2 of this project presents a skeletal model for evaluating vocational education programs which can be applied to secondary, post-secondary, and adult education programs. The model addresses 13 main components of the vocational education system: descriptive information, demonstration of need, student recruitment and selection, curriculum,…

  7. A REGIONAL ATMOSPHERIC FATE AND TRANSPORT MODEL FOR ATRAZINE PART II: EVALUATION

    EPA Science Inventory

    The Community Multiscale Air Quality (CMAQ) modeling system has been adapted to simulate the fate and transport of atrazine. The simulation spans April to mid-July 1995 for a domain encompassing the United States and southern Canada east of the Rocky Mountains. Model results ...

  8. Modeling of fluidized-bed combustion of coal: Phase II, final reports. Volume 1. Model evolution and development

    SciTech Connect

    Louis, J.F.; Tung, S.E.

    1980-10-01

    The Energy Laboratory of the Massachusetts Institute of Technology (M.I.T.), under Department of Energy (DOE) sponsorship, has been engaged in the development of a comprehensive mechanistic model of Fluidized Bed Combustors (FBC). The primary aims of this modeling effort are the generation and to the extent possible, validation of an analytical framework for the design and scale-up of fluidized bed combustors. In parallel with this modeling effort, M.I.T. also embarked upon the development of an FBC-Data Base Management System (FBC-DBMS) aimed at facilitating the coordination, interpretation and utilization of the experimental data that are or will become available from diverse sources, as well as in the identification of areas of large uncertainty or having a paucity of experimental results. The synergistic operation of the FBC-Model and FBC-Data Base promises to offer a powerful tool for the design and optimization of FBC's and represents the ultimate goal of the M.I.T. effort. The modeling effort was initially focused upon evaluation and application of state-of-the-art models. The initial system model was divided into five basic components: fluid dynamics, combustion, sulfur capture, heat transfer and emissions. Due to the technical complexity of modeling FBC operation and the initial primitive nature of models for these components, it was deemed necessary to be able to incorporate evolutionary improvements in understanding and correlating FBC phenomena: the M.I.T. system model is, therefore, modular in nature, i.e., each sub-model can be replaced by an updated or equivalent sub-model without necessitating reprogramming of the entire system model.

  9. Systems approach to excitation-energy and electron transfer reaction networks in photosystem II complex: model studies for chlorophyll a fluorescence induction kinetics.

    PubMed

    Matsuoka, Takeshi; Tanaka, Shigenori; Ebina, Kuniyoshi

    2015-09-01

    Photosystem II (PS II) is a protein complex which evolves oxygen and drives charge separation for photosynthesis employing electron and excitation-energy transfer processes over a wide timescale range from picoseconds to milliseconds. While the fluorescence emitted by the antenna pigments of this complex is known as an important indicator of the activity of photosynthesis, its interpretation was difficult because of the complexity of PS II. In this study, an extensive kinetic model which describes the complex and multi-timescale characteristics of PS II is analyzed through the use of the hierarchical coarse-graining method proposed in the authors׳ earlier work. In this coarse-grained analysis, the reaction center (RC) is described by two states, open and closed RCs, both of which consist of oxidized and neutral special pairs being in quasi-equilibrium states. Besides, the PS II model at millisecond scale with three-state RC, which was studied previously, could be derived by suitably adjusting the kinetic parameters of electron transfer between tyrosine and RC. Our novel coarse-grained model of PS II can appropriately explain the light-intensity dependent change of the characteristic patterns of fluorescence induction kinetics from O-J-I-P, which shows two inflection points, J and I, between initial point O and peak point P, to O-J-D-I-P, which shows a dip D between J and I inflection points. PMID:26025316

  10. Using DFT methodology for more reliable predictive models: Design of inhibitors of Golgi α-Mannosidase II.

    PubMed

    Bobovská, Adela; Tvaroška, Igor; Kóňa, Juraj

    2016-05-01

    Human Golgi α-mannosidase II (GMII), a zinc ion co-factor dependent glycoside hydrolase (E.C.3.2.1.114), is a pharmaceutical target for the design of inhibitors with anti-cancer activity. The discovery of an effective inhibitor is complicated by the fact that all known potent inhibitors of GMII are involved in unwanted co-inhibition with lysosomal α-mannosidase (LMan, E.C.3.2.1.24), a relative to GMII. Routine empirical QSAR models for both GMII and LMan did not work with a required accuracy. Therefore, we have developed a fast computational protocol to build predictive models combining interaction energy descriptors from an empirical docking scoring function (Glide-Schrödinger), Linear Interaction Energy (LIE) method, and quantum mechanical density functional theory (QM-DFT) calculations. The QSAR models were built and validated with a library of structurally diverse GMII and LMan inhibitors and non-active compounds. A critical role of QM-DFT descriptors for the more accurate prediction abilities of the models is demonstrated. The predictive ability of the models was significantly improved when going from the empirical docking scoring function to mixed empirical-QM-DFT QSAR models (Q(2)=0.78-0.86 when cross-validation procedures were carried out; and R(2)=0.81-0.83 for a testing set). The average error for the predicted ΔGbind decreased to 0.8-1.1kcalmol(-1). Also, 76-80% of non-active compounds were successfully filtered out from GMII and LMan inhibitors. The QSAR models with the fragmented QM-DFT descriptors may find a useful application in structure-based drug design where pure empirical and force field methods reached their limits and where quantum mechanics effects are critical for ligand-receptor interactions. The optimized models will apply in lead optimization processes for GMII drug developments. PMID:27035259

  11. The 1995 revision of the joint US/UK geomagnetic field models. II: Main field

    USGS Publications Warehouse

    Quinn, J.M.; Coleman, R.J.; Macmillan, S.; Barraclough, D.R.

    1997-01-01

    This paper presents the 1995 main-field revision of the World Magnetic Model (WMM-95). It is based on Project MAGNET high-level (??? 15,000 ft.) vector aeromagnetic survey data collected between 1988 and 1994 and on scalar total intensity data collected by the Polar Orbiting Geomagnetic Survey (POGS) satellite during the period 1991 through 1993. The spherical harmonic model produced from these data describes that portion of the Earth's magnetic field generated internal to the Earth's surface at the 1995.0 Epoch. When combined with the spherical harmonic model of the Earth's secular variation described in paper I, the Earth's main magnetic field is fully characterized between the years 1995 and 2000. Regional magnetic field models for the conterminous United States, Alaska and, Hawaii were generated as by-products of the global modeling process.

  12. Development and Evaluation of a Reactive-Dispersive Plume Model: TexAQS II 2006 Case Study

    NASA Astrophysics Data System (ADS)

    Kim, Yong Hoon; Kim, Hyun Soo; Song, Chul Han

    2015-04-01

    We describe the development and evaluation of a reactive-dispersive plume model (RDPM) that combines a photo-chemistry model with a plume dilution driven by turbulent dispersion of a power-plant plume. The plume transport and turbulent dispersion are derived from a Gaussian plume model and the plume chemistry model uses 71 HxOy-NxOy-CH4 chemistry-related reactions and 184 NMHC-related reactions. Emissions from large-scale point sources have continuously increased due to the rapid industrial growth. To extensively understand and assess atmospheric impacts of the power-plant emissions, a general RDPM was applied to simultaneously simulate the dynamics and photo-chemistry of the Texas power-plant plumes. During the second Texas Air Quality Study 2006 (TexAQS II 2006) on 16 September 2006, pollutant concentrations were measured by NOAA WP-3D aircraft with successive transects across power-plant plumes in Texas, USA. The simulation performances of the RDPM were evaluated by a comparison study, using the observation data obtained from the measurements of a NOAA WP-3D flight during TexAQS II 2006 airborne field campaign. On 16 September, the WP-3D aircraft observed mainly meteorological parameters and particulate species concentrations, traversing the Monticello and Welsh power-plant plumes four times from transects A to D. In addition, some meteorological variables in an initial condition for model simulation were obtained from the Weather Research and Forecasting (WRF) model output for the specific objects. These power-plant plume cases were selected in this study, because a large number of nitrogen oxides and sulfur dioxide concentrations inside the power-plant plumes were measured without any interruption of other emission sources. For the Monticello and Welsh power-plant plumes, the model-predicted concentrations showed good agreements with the observed concentrations of ambient species (e.g., nitrogen oxides, ozone, sulfur dioxide, etc.) at the four transects. Based

  13. Efficient catalytic phosphate ester cleavage by binuclear zinc(II) pyrazolate complexes as functional models of metallophosphatases.

    PubMed

    Penkova, Larysa V; Maciag, Anna; Rybak-Akimova, Elena V; Haukka, Matti; Pavlenko, Vadim A; Iskenderov, Turganbay S; Kozłowski, Henryk; Meyer, Franc; Fritsky, Igor O

    2009-07-20

    A series of dizinc(II) complexes based on the pyrazolate ligands 3-[(1E)-N-hydroxyethanimidoyl]-4-methyl-1H-pyrazole-5-carboxylic acid (H(3)L(1)), (1E,1'E)-1,1'-(4-methyl-1H-pyrazole-3,5-diyl)diethanone dihydrazone (HL(2)), (E,E)-(4-methyl-1H-pyrazole-3,5-diyl)bis(methylmethanone) dioxime (H(3)L(3)), (E,E)-(4-phenyl-1H-pyrazole-3,5-diyl)bis(phenylmethanone) dioxime (H(3)L(4)), and 1H-pyrazole-3,5-dicarboxylic acid (H(3)L(5)) have been synthesized and investigated as functional models of phosphoesterases, focusing on correlations between the hydrolytic activity and molecular parameters of the bimetallic core. Speciation of the various dizinc complexes in solution has been determined potentiometrically, and the structures in the solid state have been established by X-ray crystallography. The hydrolysis of two phosphoesters, an RNA model 2-hydroxypropyl-p-nitrophenyl phosphate (HPNP) and the pesticide paraoxon-ethyl (POE), promoted by the dinuclear phosphoesterase model complexes has been investigated in DMSO/buffered water (1:1) at 50 degrees C as a function of complex concentration, substrate concentration, and pH. Drastic differences in the hydrolytic activities of [Zn(2)(HL(1))(2)](0), [Zn(2)(L(2))(2)](2+), [Zn(2)(H(2)L(3))(2)](2+), and [Zn(2)(HL(5))(2)](2-) are observed and can be attributed to molecular peculiarities. Pyrazolate-bridged dinuclear zinc(II) complexes seem to provide a sufficient number of coordination sites for both activating the substrate and generating the nucleophile, where the phosphate esters are preferentially bound in a bidentate bridging fashion (in the case of HPNP) and in a monodentate fashion (in the case of POE). PMID:19548638

  14. Population II stars and the Spite plateau. Stellar evolution models with mass loss

    NASA Astrophysics Data System (ADS)

    Vick, M.; Michaud, G.; Richer, J.; Richard, O.

    2013-04-01

    Aims: We aim to determine the constraints that observed chemical abundances put on the potential role of mass loss in metal poor dwarfs. Methods: Self-consistent stellar evolutionary models that include all the effects of atomic diffusion and radiative accelerations for 28 chemical species were computed for stellar masses between 0.6 and 0.8 M⊙. Models with an initial metallicity of Z0 = 0.00017 and mass loss rates from 10-15 M⊙ yr-1 to 10-12 M⊙ yr-1 were calculated. They were then compared to previous models with mass loss, as well as to models with turbulent mixing. Results: For models with an initial metallicity of [Fe/H]0 = -2.31, mass loss rates of about 10-12 M⊙ yr-1 lead to surface abundance profiles that are very similar to those obtained in models with turbulence. Both models have about the same level of agreement with observations of galactic-halo lithium abundances, as well as lithium and other elemental abundances from metal poor globular clusters such as NGC 6397. In this cluster, models with mass loss agree slightly better with subgiant observations of Li abundance than those with turbulence. Lower red giant branch stars instead favor the models with turbulence. Larger differences between models with mass loss and those with turbulence appear in the interior concentrations of metals. Conclusions: The relatively high mass loss rates required to reproduce plateau-like lithium abundances appear unlikely when compared to the solar mass-loss rate. However the presence of a chromosphere on these stars justifies further investigation of the mass-loss rates. Appendix A is available in electronic form at http://www.aanda.org

  15. VizieR Online Data Catalog: SSP in NIR. II. Synthesis models (Meneses-Goytia+, 2015)

    NASA Astrophysics Data System (ADS)

    Meneses-Goytia, S.; Peletier, R. F.; Trager, S. C.; Vazdekis, A.

    2015-08-01

    The present Single Stellar Populations (SSP) models are derived from my Ph.D.'s thesis and this paper. The following nomenclature is used throughout the paper and the website (http://smg.astro-research.net/ssp-models/the-models/) to describe the models, e.g. MarS models use the M08 isochrones (Mar) and the Salpeter (S) IMF. General information about the models is given in table1. For further information, please refer to the paper. Each set of models and their corresponding predictions are available in the website and VIZIER. The spectral energy distributions (SEDs) can be downloaded in a zip-file from those pages in ascii format . The spectral energy distributions (SEDs) can be downloaded in a zip-file from t hose pages in ascii format . The nomenclature of each SED is as follows: isochroneIMFsedXXXXHZX.XXXXXXXXXTgXX.XXXXXXXe+XX - where XXXX tells whether those models contain C-stars or no (COMBO or NOCS respectively) H is the spectral band in which normalization occurred Z_X.XXXXXXXXX is the metallicity in terms of Z Tg_XX.XXXXXXXe+XX is the age in years. Each set of models contains MarS - 96 SEDs GirS - 96 SEDs BaSS - 116 SEDs We have also included in the websites the Integrated colours and line-strength indices from all our models (MarS, GirS and BaSS). The SEDs were convolved to a velocity dispersion of 350km/s before calculating indices. (5 data files).

  16. Assessing the wildlife habitat value of New England salt marshes: II. Model testing and validation.

    PubMed

    McKinney, Richard A; Charpentier, Michael A; Wigand, Cathleen

    2009-07-01

    We tested a previously described model to assess the wildlife habitat value of New England salt marshes by comparing modeled habitat values and scores with bird abundance and species richness at sixteen salt marshes in Narragansett Bay, Rhode Island USA. As a group, wildlife habitat value assessment scores for the marshes ranged from 307-509, or 31-67% of the maximum attainable score. We recorded 6 species of wading birds (Ardeidae; herons, egrets, and bitterns) at the sites during biweekly survey. Species richness (r (2)=0.24, F=4.53, p=0.05) and abundance (r (2)=0.26, F=5.00, p=0.04) of wading birds significantly increased with increasing assessment score. We optimized our assessment model for wading birds by using Akaike information criteria (AIC) to compare a series of models comprised of specific components and categories of our model that best reflect their habitat use. The model incorporating pre-classification, wading bird habitat categories, and natural land surrounding the sites was substantially supported by AIC analysis as the best model. The abundance of wading birds significantly increased with increasing assessment scores generated with the optimized model (r (2)=0.48, F=12.5, p=0.003), demonstrating that optimizing models can be helpful in improving the accuracy of the assessment for a given species or species assemblage. In addition to validating the assessment model, our results show that in spite of their urban setting our study marshes provide substantial wildlife habitat value. This suggests that even small wetlands in highly urbanized coastal settings can provide important wildlife habitat value if key habitat attributes (e.g., natural buffers, habitat heterogeneity) are present. PMID:18597178

  17. Evolutionary stellar population synthesis with MILES - II. Scaled-solar and α-enhanced models

    NASA Astrophysics Data System (ADS)

    Vazdekis, A.; Coelho, P.; Cassisi, S.; Ricciardelli, E.; Falcón-Barroso, J.; Sánchez-Blázquez, P.; Barbera, F. La; Beasley, M. A.; Pietrinferni, A.

    2015-05-01

    We present models that predict spectra of old- and intermediate-aged stellar populations at 2.51 Å (FWHM) with varying [α/Fe] abundance. The models are based on the MILES library and on corrections from theoretical stellar spectra. The models employ recent [Mg/Fe] determinations for the MILES stars and BaSTI scaled-solar and α-enhanced isochrones. We compute models for a suite of initial mass function (IMF) shapes and slopes, covering a wide age/metallicity range. Using BaSTI, we also compute `base models' matching the Galactic abundance pattern. We confirm that the α-enhanced models show a flux excess with respect to the scaled-solar models blueward ˜4500 Å, which increases with age and metallicity. We also confirm that both [MgFe] and [MgFe]' indices are [α/Fe]-insensitive. We show that the sensitivity of the higher order Balmer lines to [α/Fe] resides in their pseudo-continua, with narrower index definitions yielding lower sensitivity. We confirm that the α-enhanced models yield bluer (redder) colours in the blue (red) spectral range. To match optical colours of massive galaxies, we require both α-enhancement and a bottom-heavy IMF. The comparison of globular cluster line-strengths with our predictions match the [Mg/Fe] determinations from their individual stars. We obtain good fits to both full spectra and indices of galaxies with varying [α/Fe]. Using thousands of SDSS galaxy spectra, we obtain a linear relation between a proxy for the abundance, [ZMg/ZFe]SS(BaSTI), using solely scaled-solar models and the [Mg/Fe] derived with models with varying abundance ([Mg/Fe] = 0.59[ZMg/ZFe]SS(BaSTI)). Finally, we provide a user-friendly, web-based facility, which allows composite populations with varying IMF and [α/Fe].

  18. Comparison of Analytical Models of Propagation of CMEs and its Validation Using Type II Radio Bursts Observations

    NASA Astrophysics Data System (ADS)

    Perez Alanis, C. A.; Aguilar-Rodriguez, E.; Corona Romero, P.

    2015-12-01

    Coronal Mass Ejections (CMEs) are large-scale eruptive events arising from the solar corona that are expelled into the interplanetary (IP) medium. The CMEs can be associated with interplanetary shocks and this associated with type II radio-burst emissions. Some of the CMEs carry a magnetic configuration that can generate geomagnetic storm, the main interest in space weather. It is therefore important to predict arrival times of CMEs that are potential to generate a geomagnetic storm. We used a number of hydrodynamic (viscous and inertial) drag force models to approximate the trajectory of a CME. We focus on obtaining proportionality constants to achieve good approximations to CME arrivals. We analized a set of fast CMEs by finding the appropiate drag coefficients that simultaneusly approximated: the in-situ arrivals of the events, their associated type II radio-burst and satellite observations of these phenomena. Our results suggest that quadratic and inertial drag are the dynamic agent that prevails for fast CMEs propagation. Our studies may contribute to future 'space weather forescasting' at the Earth.

  19. Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.

    PubMed

    Jongbloed, Linda S; García-López, Diego; van Heck, Richard; Siegler, Maxime A; Carbó, Jorge J; van der Vlugt, Jarl Ivar

    2016-08-15

    Coordination of the reactive phosphinitopyridylphenyl PONCPh ligand L(H) to NiBr2 initially yields paramagnetic brown NiBr2(L(H)) (1), but addition of triethylamine results in fast and facile cyclometalation at Ni(II), giving NiBr(κ(3)-P,N,C-L) (2) as well-defined species. This is a rare example of direct cyclometalation at Ni(II) from a C-H bond in a ligand structure other than encumbering ligands (e.g., ECE pincers). Diamagnetic yellow complex 2 reacts instantaneously with HBF4 to give purple [NiBr(κ(3)-P,N-L(H))]BF4 (3). A very unusual (an)agostic Ni(CPh-H) interaction in the solid-state structure of 3 was unequivocally demonstrated using single-crystal X-ray crystallography and was interpreted by density functional theory calculations (quantum theory of atoms in molecules and electron localization function analysis). These compounds may be viewed as models for key intermediates in the Ni-catalyzed C-H functionalization of arenes. PMID:27479533

  20. Holographic Roberge Weiss transitions II: Defect theories and the Sakai Sugimoto model

    NASA Astrophysics Data System (ADS)

    Rafferty, James

    2011-09-01

    We extend the work of [1], including an imaginary chemical potential for quark number into the Sakai Sugimoto model and codimension k defect theories. The phase diagram of these models are a function of three parameters, the temperature, chemical potential and the asymptotic separation of the flavour branes, related to a mass for the quarks in the boundary theories. We compute the phase diagrams and the pressure due to the flavours of the theories as a function of these parameters and show that there are Roberge Weiss transitions in the high temperature phases, chiral symmetry restored for the Sakai Sugimoto model and deconfined for the defect models, while at low temperatures there are no Roberge Weiss transitions. In all the models we consider the transitions between low and high temperature phases are first order, hence the points where they meet the Roberge Weiss lines are triple points. The pressure for the defect theories scales in the way we expect from dimensional analysis while the Sakai Sugimoto model exhibits unusual scaling. We show that the models we consider are all analytic in μ 2 when μ 2 is small.

  1. Hot-gas cleanup system model development. Volume II. Final report

    SciTech Connect

    Ushimaru, K.; Bennett, A.; Bekowies, P.J.

    1982-11-01

    Under Contract to the Department of Energy (DOE) through the Morgantown Energy Technology Center (METC), Flow Industries, Inc., has developed computer models to simulate the physical performance of five hot-gas cleanup devices for pressurized, fluidized-bed combustion (PFBC), combined-cycle power plants. Separate cost models have also been developed to estimate the cost of each device. The work leading to the development of these models is described in Volume I of this report. This volume contains the user's manuals for both the physical and cost models. The manuals for the physical models are given first followed by those for the cost models. Each manual is a complete and separate document. The model names and devices and their respective subroutine names are: (1) Moving Granular Bed Filter by Combustion Power Company, USRCGB, QFCOST; (2) Ceramic Bag Filter by Acurex, USRACB, QDCOST; (3) Electrostatic Granular Bed Filter by General Electric, USRGGB, QACOST; (4) Electrostatic Precipitator by Research Cottrell, USRCEP, QECOST; and (5) Electrocyclone by General Electric, USRGCY, QBCOST.

  2. A dynamical systems analysis of afferent control in a neuromechanical model of locomotion. II. Phase asymmetry

    PubMed Central

    Spardy, Lucy E.; Markin, Sergey N.; Shevtsova, Natalia A.; Prilutsky, Boris I.; Rybak, Ilya A.; Rubin, Jonathan E.

    2012-01-01

    We analyze a closed loop neuromechanical model of locomotor rhythm generation. The model is composed of a spinal central pattern generator (CPG) and a single-joint limb, with CPG outputs projecting via motoneurons to muscles that control the limb and afferent signals from the muscles feeding back to the CPG. In a preceding companion paper, we analyzed how the model generates oscillations in the presence or absence of feedback, identified curves in a phase plane associated with the limb that signify where feedback levels induce phase transitions within the CPG, and explained how increasing feedback strength restores oscillations in a model representation of spinal cord injury; from these steps, we derived insights about features of locomotor rhythms in several scenarios and made predictions about rhythm responses to various perturbations. In this paper, we exploit our analytical observations to construct a reduced model that retains important characteristics from the original system. We prove the existence of an oscillatory solution to the reduced model using a novel version of a Melnikov function, adapted for discontinuous systems and also comment on the uniqueness and stability of this solution. Our analysis yields a deeper understanding of how the model must be tuned to generate oscillations and how the details of the limb dynamics shape overall model behavior. In particular, we explain how, due to the feedback signals in the model, changes in the strength of a tonic supra-spinal drive to the CPG yield asymmetric alterations in the durations of different locomotor phases, despite symmetry within the CPG itself. PMID:22058275

  3. A dynamical systems analysis of afferent control in a neuromechanical model of locomotion: II. Phase asymmetry.

    PubMed

    Spardy, Lucy E; Markin, Sergey N; Shevtsova, Natalia A; Prilutsky, Boris I; Rybak, Ilya A; Rubin, Jonathan E

    2011-12-01

    In this paper we analyze a closed loop neuromechanical model of locomotor rhythm generation. The model is composed of a spinal central pattern generator (CPG) and a single-joint limb, with CPG outputs projecting via motoneurons to muscles that control the limb and afferent signals from the muscles feeding back to the CPG. In a preceding companion paper (Spardy et al 2011 J. Neural Eng. 8 065003), we analyzed how the model generates oscillations in the presence or absence of feedback, identified curves in a phase plane associated with the limb that signify where feedback levels induce phase transitions within the CPG, and explained how increasing feedback strength restores oscillations in a model representation of spinal cord injury; from these steps, we derived insights about features of locomotor rhythms in several scenarios and made predictions about rhythm responses to various perturbations. In this paper, we exploit our analytical observations to construct a reduced model that retains important characteristics from the original system. We prove the existence of an oscillatory solution to the reduced model using a novel version of a Melnikov function, adapted for discontinuous systems, and also comment on the uniqueness and stability of this solution. Our analysis yields a deeper understanding of how the model must be tuned to generate oscillations and how the details of the limb dynamics shape overall model behavior. In particular, we explain how, due to the feedback signals in the model, changes in the strength of a tonic supra-spinal drive to the CPG yield asymmetric alterations in the durations of different locomotor phases, despite symmetry within the CPG itself. PMID:22058275

  4. Prediction and assimilation of surf-zone processes using a Bayesian network: Part II: Inverse models

    USGS Publications Warehouse

    Plant, Nathaniel G.; Holland, K. Todd

    2011-01-01

    A Bayesian network model has been developed to simulate a relatively simple problem of wave propagation in the surf zone (detailed in Part I). Here, we demonstrate that this Bayesian model can provide both inverse modeling and data-assimilation solutions for predicting offshore wave heights and depth estimates given limited wave-height and depth information from an onshore location. The inverse method is extended to allow data assimilation using observational inputs that are not compatible with deterministic solutions of the problem. These inputs include sand bar positions (instead of bathymetry) and estimates of the intensity of wave breaking (instead of wave-height observations). Our results indicate that wave breaking information is essential to reduce prediction errors. In many practical situations, this information could be provided from a shore-based observer or from remote-sensing systems. We show that various combinations of the assimilated inputs significantly reduce the uncertainty in the estimates of water depths and wave heights in the model domain. Application of the Bayesian network model to new field data demonstrated significant predictive skill (R2 = 0.7) for the inverse estimate of a month-long time series of offshore wave heights. The Bayesian inverse results include uncertainty estimates that were shown to be most accurate when given uncertainty in the inputs (e.g., depth and tuning parameters). Furthermore, the inverse modeling was extended to directly estimate tuning parameters associated with the underlying wave-process model. The inverse estimates of the model parameters not only showed an offshore wave height dependence consistent with results of previous studies but the uncertainty estimates of the tuning parameters also explain previously reported variations in the model parameters.

  5. Modeling of the HiPco process for carbon nanotube production. II. Reactor-scale analysis.

    PubMed

    Gökçen, Tahir; Dateo, Christopher E; Meyyappan, M

    2002-10-01

    The high-pressure carbon monoxide (HiPco) process, developed at Rice University, has been reported to produce single-walled carbon nanotubes from gas-phase reactions of iron carbonyl in carbon monoxide at high pressures (10-100 atm). Computational modeling is used here to develop an understanding of the HiPco process. A detailed kinetic model of the HiPco process that includes of the precursor, decomposition metal cluster formation and growth, and carbon nanotube growth was developed in the previous article (Part I). Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. The diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by the Boudouard reaction with metal catalysts. Based on the detailed model simulations, a reduced kinetic model was also developed in Part I for use in reactor-scale flowfield calculations. Here this reduced kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance. Carbon nanotube growth is examined with respect to several process variables (peripheral jet temperature, reactor pressure, and Fe(CO)5 concentration) with the use of the axisymmetric model, and the computed results are compared with existing experimental data. The model yields most of the qualitative trends observed in the experiments and helps to understanding the fundamental processes in HiPco carbon nanotube production. PMID:12908292

  6. A dynamical systems analysis of afferent control in a neuromechanical model of locomotion: II. Phase asymmetry

    NASA Astrophysics Data System (ADS)

    Spardy, Lucy E.; Markin, Sergey N.; Shevtsova, Natalia A.; Prilutsky, Boris I.; Rybak, Ilya A.; Rubin, Jonathan E.

    2011-10-01

    In this paper we analyze a closed loop neuromechanical model of locomotor rhythm generation. The model is composed of a spinal central pattern generator (CPG) and a single-joint limb, with CPG outputs projecting via motoneurons to muscles that control the limb and afferent signals from the muscles feeding back to the CPG. In a preceding companion paper (Spardy et al 2011 J. Neural Eng. 8 065003), we analyzed how the model generates oscillations in the presence or absence of feedback, identified curves in a phase plane associated with the limb that signify where feedback levels induce phase transitions within the CPG, and explained how increasing feedback strength restores oscillations in a model representation of spinal cord injury; from these steps, we derived insights about features of locomotor rhythms in several scenarios and made predictions about rhythm responses to various perturbations. In this paper, we exploit our analytical observations to construct a reduced model that retains important characteristics from the original system. We prove the existence of an oscillatory solution to the reduced model using a novel version of a Melnikov function, adapted for discontinuous systems, and also comment on the uniqueness and stability of this solution. Our analysis yields a deeper understanding of how the model must be tuned to generate oscillations and how the details of the limb dynamics shape overall model behavior. In particular, we explain how, due to the feedback signals in the model, changes in the strength of a tonic supra-spinal drive to the CPG yield asymmetric alterations in the durations of different locomotor phases, despite symmetry within the CPG itself.

  7. Modeling Contamination Migration on the Chandra X-ray Observatory - II

    NASA Technical Reports Server (NTRS)

    O'Dell, Stephen L.; Swartz, Douglas A.; Tice, Neil W.; Plucinsky, Paul P.; Grant, Catherine E.; Marshall, Herman L.; Vikhlinin, Alexey A.; Tennant, Allyn F.

    2013-01-01

    During its first 14 years of operation, the cold (about -60C) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X-ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low-energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition have changed. This evolution has motivated further analysis of contamination migration within and near the ACIS cavity. To this end, the current study employs a higher-fidelity geometric model of the ACIS cavity, detailed thermal modeling based upon temperature data, and a refined model of the molecular transport.

  8. Explicit Finite Element Modeling of Multilayer Composite Fabric for Gas Turbine Engine Containment Systems, Phase II. Part 3; Material Model Development and Simulation of Experiments

    NASA Technical Reports Server (NTRS)

    Simmons, J.; Erlich, D.; Shockey, D.

    2009-01-01

    A team consisting of Arizona State University, Honeywell Engines, Systems & Services, the National Aeronautics and Space Administration Glenn Research Center, and SRI International collaborated to develop computational models and verification testing for designing and evaluating turbine engine fan blade fabric containment structures. This research was conducted under the Federal Aviation Administration Airworthiness Assurance Center of Excellence and was sponsored by the Aircraft Catastrophic Failure Prevention Program. The research was directed toward improving the modeling of a turbine engine fabric containment structure for an engine blade-out containment demonstration test required for certification of aircraft engines. The research conducted in Phase II began a new level of capability to design and develop fan blade containment systems for turbine engines. Significant progress was made in three areas: (1) further development of the ballistic fabric model to increase confidence and robustness in the material models for the Kevlar(TradeName) and Zylon(TradeName) material models developed in Phase I, (2) the capability was improved for finite element modeling of multiple layers of fabric using multiple layers of shell elements, and (3) large-scale simulations were performed. This report concentrates on the material model development and simulations of the impact tests.

  9. DO-BOD modeling of River Yamuna for national capital territory, India using STREAM II, a 2D water quality model.

    PubMed

    Sharma, Deepshikha; Singh, Ram Karan

    2009-12-01

    The study illustrates the utility of STREAM II as a modeling package to determine the pollution load due to organic matter in the River Yamuna during its course through the National Capital Territory that is Delhi, India. The study was done for a period from 1995-2005. Model simulates the dissolved oxygen and biochemical oxygen demand parameters in a two-dimensional fashion by performing the numerical solution to a set of differential equations representing aquatic life with the help of Crank-Nicholson finite difference method. The model was simulated and calibrated through the field water-quality primary data and the secondary data which were taken from Central Pollution Control Board. The main reasons for the high river pollution is increasing population of Delhi and other states, leading to generation of huge amounts of domestic sewage into the river Yamuna. The model gave a good agreement between calibrated and observed data, thus, actualizing the validity of the model. However, discrepancies noticed during model calibrations were attributed to the assumptions adopted in the model formulation and to lack of field data. PMID:19020982

  10. The modelling of an SF6 arc in a supersonic nozzle: II. Current zero behaviour of the nozzle arc

    NASA Astrophysics Data System (ADS)

    Zhang, Q.; Liu, J.; Yan, J. D.; Fang, M. T. C.

    2016-08-01

    The present work (part II) forms the second part of an investigation into the behaviour of SF6 nozzle arc. It is concerned with the aerodynamic and electrical behaviour of a transient nozzle arc under a current ramp specified by a rate of current decay (di/dt) before current zero and a voltage ramp (dV/dt) after current zero. The five flow models used in part I [1] for cold gas flow and DC nozzle arcs have been applied to study the transient arc at three stagnation pressures (P 0) and two values of di/dt for the current ramp, representing a wide range of arcing conditions. An analysis of the physical mechanisms encompassed in each flow model is given with an emphasis on the adequacy of a particular model in describing the rapidly varying arc around current zero. The critical rate of rise of recovery voltage (RRRV) is found computationally and compared with test results of Benenson et al [2]. For transient nozzle arcs, the RRRV is proportional to the square of P 0, rather than to the square root of P 0 for DC nozzle arcs. The physical mechanisms responsible for the strong dependence of RRRV on P 0 have been investigated. The relative merits of the flow models employed are discussed.

  11. The Development of Midlatitude Cirrus Models for MODIS Using FIRE-I, FIRE-II, and ARM In Situ Data

    NASA Technical Reports Server (NTRS)

    Nasiri, Shaima L.; Baum, Bryan A.; Heymsfield, Andrew J.; Yang, Ping; Poellot, Michael R.; Kratz, David P.; Hu, Yong-Xiang

    2002-01-01

    Detailed in situ data from cirrus clouds have been collected during dedicated field Campaigns, but the use of the size and habit distribution data has been lagging in the development of more realistic cirrus scattering models. In this study, the authors examine the use of in situ cirrus data collected during three field campaigns to develop more realistic midlatitude cirrus microphysical models. Data are used from the First International Satellite Cloud Climatology Project (ISCCP) Regional Experiment (FIRE)-I (1986) and FIRE-II (1991) campaigns and from a recent Atmospheric Radiation Measurement (ARM) Program campaign held in March-April of 2000. The microphysical models are based on measured vertical distributions of both particle size and particle habit and are used to develop new scattering models for a suite of moderate-resolution imaging spectroradiometer (MODIS) bands spanning visible. near-infrared, and infrared wavelengths. The sensitivity of the resulting scattering properties to the underlying assumptions of the assumed particle size and habit distributions are examined. It is found that the near-infrared bands are sensitive not only to the discretization of the size distribution but also to the assumed habit distribution. In addition. the results indicate that the effective diameter calculated from a given size distribution tends to be sensitive to the number of size bins that are used to discretize the data and also to the ice-crystal habit distribution.

  12. Black liquor combustion validated recovery boiler modeling: Final year report. Volume 2 (Appendices I, section 5 and II, section 1)

    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 2 contains the last section of Appendix I, Radiative heat transfer in kraft recovery boilers, and the first section of Appendix II, The effect of temperature and residence time on the distribution of carbon, sulfur, and nitrogen between gaseous and condensed phase products from low temperature pyrolysis of kraft black liquor.

  13. Predictive modeling of infrared radiative heating in tomato dry-peeling process: Part II. Model validation and sensitivity analysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A predictive mathematical model was developed to simulate heat transfer in a tomato undergoing double sided infrared (IR) heating in a dry-peeling process. The aims of this study were to validate the developed model using experimental data and to investigate different engineering parameters that mos...

  14. A global thermospheric model based on mass spectrometer and incoherent scatter data MSIS. II - Composition

    NASA Technical Reports Server (NTRS)

    Hedin, A. E.; Reber, C. A.; Newton, G. P.; Spencer, N. W.; Brinton, H. C.; Mayr, H. G.; Potter, W. E.

    1977-01-01

    Measurements of O, He, and Ar from neutral gas mass spectrometers on four satellites (Ogo 6, San Marco 3, Aeros A, and AEC-C) and inferred oxygen and hydrogen densities from an ion mass spectrometer on AE-C have been combined with a neutral temperature and nitrogen density model to produce a global model of thermospheric composition in terms of inferred variations at 120 km. The data set covers the time period from mid-1969 to mid-1975. The MSIS (mass spectrometer and incoherent scatter data) model is compared with the Ogo 6 model (Hedin et al., 1974). Ar variations at 120 km tend to be in phase with temperature variations and inverse to the He, O, and H variations.

  15. SEMILLAC II: A new model for spectral behavior of hot plasmas

    NASA Astrophysics Data System (ADS)

    Frank, Yechiel; Mandelbaum, Pinchas; Henis, Zohar

    2014-09-01

    Radiative properties of plasmas are of fundamental importance in many physical fields such as laser plasma interactions and astrophysical plasmas. In this paper we present a new model developed to be used with radiation-hydrodynamic codes. This requires a fast calculation of the opacities and emissivities for a wide range of plasma conditions. This model is based on a limited set of detailed MCDF calculations, extended to a wider set of atomic configurations using simple algebraic relations. The model uses similar principles to those used in the SEMILLAC population dynamics code [1]. The model can be used in local thermal equilibrium and non local thermal equilibrium conditions. Results are presented for emission and absorption spectra as well as for average radiative properties.

  16. A physical model of the bidirectional reflectance of vegetation canopies. I - Theory. II - Inversion and validation

    NASA Technical Reports Server (NTRS)

    Verstraete, Michel M.; Pinty, Bernard; Dickinson, Robert E.

    1990-01-01

    A new physically based analytical model of the bidirectional reflectance of vegetation canopies is derived. The model expresses the bidirectional reflectance field of a semiinfinite canopy as a combination of functions describing (1) the optical properties of the leaves through their single-scattering albedo and their phase function, (2) the average distribution of leaf orientations, and (3) the architecture of the canopy. The model is validated against laboratory and ground-based measurements in the visible and IR spectral regions, taken over two vegetation covers. The intrinsic optical properties of leaves and the information on the geometrical canopy arrangements in space were obtained using an inversion procedure based on a nonlinear optimization technique. Model predictions of bidirectional reflectances obtained using the inversion procedure compare well with actual observations.

  17. Charge-state-dependent energy loss of slow ions. II. Statistical atom model

    NASA Astrophysics Data System (ADS)

    Wilhelm, Richard A.; Möller, Wolfhard

    2016-05-01

    A model for charge-dependent energy loss of slow ions is developed based on the Thomas-Fermi statistical model of atoms. Using a modified electrostatic potential which takes the ionic charge into account, nuclear and electronic energy transfers are calculated, the latter by an extension of the Firsov model. To evaluate the importance of multiple collisions even in nanometer-thick target materials we use the charge-state-dependent potentials in a Monte Carlo simulation in the binary collision approximation and compare the results to experiment. The Monte Carlo results reproduce the incident charge-state dependence of measured data well [see R. A. Wilhelm et al., Phys. Rev. A 93, 052708 (2016), 10.1103/PhysRevA.93.052708], even though the experimentally observed charge exchange dependence is not included in the model.

  18. An active membrane model of the cerebellar Purkinje cell II. Simulation of synaptic responses.

    PubMed

    De Schutter, E; Bower, J M

    1994-01-01

    1. Both excitatory and inhibitory postsynaptic channels were added to a previously described complex compartmental model of a cerebellar Purkinje cell to examine model responses to synaptic inputs. All model parameters remained as described previously, leaving maximum synaptic conductance as the only parameter that was tuned in the studies described in this paper. Under these conditions the model was capable of reproducing physiological recorded responses to each of the major types of synaptic input. 2. When excitatory synapses were activated on the smooth dendrites of the model, the model generated a complex dendritic Ca2+ spike similar to that generated by climbing fiber inputs. Examination of the model showed that activation of P-type Ca2+ channels in both the smooth and spiny dendrites augmented the depolarization during the complex spike and that Ca(2+)-activated K+ channels in the same dendritic regions determined the duration of the spike. When these synapses were activated under simulated current-clamp conditions the model also generated the characteristic dual reversal potential of the complex spike. The shape of the dendritic complex spike could be altered by changing the maximum conductance of the climbing fiber synapse and thus the amount of Ca2+ entering the cell. 3. To explore the background simple spike firing properties of Purkinje cells in vivo we added excitatory "parallel fiber" synapses to the spiny dendritic branches of the model. Continuous asynchronous activation of these granule cell synapses resulted in the generation of spontaneous sodium spikes. However, very low asynchronous input frequencies produced a highly regular, very fast rhythm (80-120 Hz), whereas slightly higher input frequencies resulted in Purkinje cell bursting. Both types of activity are uncharacteristic of in vivo Purkinje cell recordings. 4. Inhibitory synapses of the sort presumably generated by stellate cells were also added to the dendritic tree. When asynchronous

  19. Improved angular momentum evolution model for solar-like stars. II. Exploring the mass dependence

    NASA Astrophysics Data System (ADS)

    Gallet, F.; Bouvier, J.

    2015-05-01

    Context. Understanding the physical processes that dictate the angular momentum evolution of solar-type stars from birth to maturity remains a challenge for stellar physics. Aims: We aim to account for the observed rotational evolution of low-mass stars over the age range from 1 Myr to 10 Gyr. Methods: We developed angular momentum evolution models for 0.5 and 0.8 M⊙ stars. The parametric models include a new wind braking law based on recent numerical simulations of magnetised stellar winds, specific dynamo and mass-loss rate prescriptions, as well as core-envelope decoupling. We compare model predictions to the distributions of rotational periods measured for low-mass stars belonging to star-forming regions and young open clusters. Furthermore, we explore the mass dependence of model parameters by comparing these new models to the solar-mass models we developed earlier. Results: Rotational evolution models are computed for slow, median, and fast rotators at each stellar mass. The models reproduce reasonably well the rotational behaviour of low-mass stars between 1 Myr and 8-10 Gyr, including pre-main sequence to zero-age main sequence spin up, prompt zero-age main sequence spin down, and early-main sequence convergence of the surface rotation rates. Fast rotators are found to have systematically shorter disk lifetimes than moderate and slow rotators, thus enabling dramatic pre-main sequence spin up. They also have shorter core-envelope coupling timescales, i.e., more uniform internal rotation. As for the mass dependence, lower mass stars require significantly longer core-envelope coupling timescales than solar-type stars, which results in strong differential rotation developing in the stellar interior on the early main sequence. Lower mass stars also require a weaker braking torque to account for their longer spin-down timescale on the early main sequence, while they ultimately converge towards lower rotational velocities than solar-type stars in the longer term

  20. The photometric evolution of dissolving star clusters. II. Realistic models. Colours and M/L ratios

    NASA Astrophysics Data System (ADS)

    Anders, P.; Lamers, H. J. G. L. M.; Baumgardt, H.

    2009-08-01

    Context: Evolutionary synthesis models are the primary means of constructing spectrophotometric models of stellar populations, and deriving physical parameters from observations compared with these models. One of the basic assumptions of evolutionary synthesis models has been the time-independence of the stellar mass function, apart from the successive removal of high-mass stars by stellar evolution. However, dynamical simulations of star clusters in tidal fields have demonstrated that the mass function can be changed by the preferential removal of low-mass stars from clusters. Aims: We combine the results of dynamical simulations of star clusters in tidal fields with our evolutionary synthesis code GALEV. We extend the models to consider the total cluster disruption time as additional parameter. Methods: Following up on our earlier work, which was based on simplifying assumptions, we reanalyse the mass-function evolution found in N-body simulations of star clusters in tidal fields, parametrise it as a function of age and total disruption time of the cluster, and use this parametrisation to compute GALEV models as a function of age, metallicity, and total cluster disruption time. Results: We study the impact of cluster dissolution on colours (which generally become redder) and magnitudes (which become fainter) of star clusters, their mass-to-light ratios (which can deviate by a factor of ~2-4 from predictions of standard models without cluster dissolution), and quantify the effect of the altered integrated photometry on cluster age determination. In most cases, clusters appear to be older than they are, where the age difference can range from 20% to 200%. By comparing our model results with observed M/L ratios for old compact objects in the mass range 104.5-108 M_⊙, we find a strong discrepancy for objects more massive than 107 M_⊙, such that observed M/L ratios are higher than predicted by our models. This could be caused either by differences in the

  1. Stability of the human respiratory control system. II. Analysis of a three-dimensional delay state-space model.

    PubMed

    Batzel, J J; Tran, H T

    2000-07-01

    A number of mathematical models of the human respiratory control system have been developed since 1940 to study a wide range of features of this complex system. Among them, periodic breathing (including Cheyne-Stokes respiration and apneustic breathing) is a collection of regular but involuntary breathing patterns that have important medical implications. The hypothesis that periodic breathing is the result of delay in the feedback signals to the respiratory control system has been studied since the work of Grodins et al. in the early 1950's [1]. The purpose of this paper is to study the stability characteristics of a feedback control system of five differential equations with delays in both the state and control variables presented by Khoo et al. [4] in 1991 for modeling human respiration. The paper is divided in two parts. Part I studies a simplified mathematical model of two nonlinear state equations modeling arterial partial pressures of O2 and CO2 and a peripheral controller. Analysis was done on this model to illuminate the effect of delay on the stability. It shows that delay dependent stability is affected by the controller gain, compartmental volumes and the manner in which changes in the ventilation rate is produced (i.e., by deeper breathing or faster breathing). In addition, numerical simulations were performed to validate analytical results. Part II extends the model in Part I to include both peripheral and central controllers. This, however, necessitates the introduction of a third state equation modeling CO2 levels in the brain. In addition to analytical studies on delay dependent stability, it shows that the decreased cardiac output (and hence increased delay) resulting from the congestive heart condition can induce instability at certain control gain levels. These analytical results were also confirmed by numerical simulations. PMID:10958416

  2. Development of Polarizable Models for Molecular Mechanical Calculations II: Induced Dipole Models Significantly Improve Accuracy of Intermolecular Interaction Energies

    PubMed Central

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

    2011-01-01

    In the companion paper, we presented a set of induced dipole interaction models using four types of screening functions, which include the Applequist (no screening), the Thole linear, the Thole exponential model, and the Thole Tinker-like (another form of exponential screening function) functions. In this work, we evaluate the performance of polarizability models using large set of amino acid analog pairs that are frequently observed in protein structures as a benchmark. For each amino acid pair we calculated quantum mechanical interaction energies at the MP2/aug-cc-pVTZ//MP2/6-311++G(d,p) level with the basis set superposition error (BSSE) correction and compared them with molecular mechanics results. Encouragingly, all the polarizable models significantly outperform the additive F94 and F03 models (mimicking AMBER ff94/ff99 and ff03 force fields, respectively) in reproducing the BSSE-corrected quantum mechanical interaction energies. Particularly, the root-mean-square errors (RMSE) for three Thole models in Set A (where the 1–2 and 1–3 interactions are turned off and all 1–4 interactions are included) are 1.456, 1.417 and 1.406 kcal/mol for Model AL (Thole Linear), Model AE (Thole exponential) and Model AT (Thole Tinker-like), respectively. In contrast, the RMSE are 3.729 and 3.433 kcal/mol for F94 and F03 models, respectively. A similar trend was observed for the average unsigned errors (AUE), which are 1.057, 1.025, 1.011, 2.219 and 2.070 kcal/mol for AL, AE, AT, F94/ff99 and F03, respectively. Analyses based on the trend line slopes indicate that the two fixed charge models substantially underestimate the relative strengths of non-charge-charge interactions by 24% (F03) and 35% (F94), respectively, whereas the four polarizable models over-estimate the relative strengths by 5% (AT), 3% (AL, AE) and 13% (AA), respectively. Agreement was further improved by adjusting the van der Waals parameters. Judging from the notably improved accuracy in comparison to

  3. Development of polarizable models for molecular mechanical calculations II: induced dipole models significantly improve accuracy of intermolecular interaction energies.

    PubMed

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

    2011-03-31

    In the companion paper, we presented a set of induced dipole interaction models using four types of screening functions, which include the Applequist (no screening), the Thole linear, the Thole exponential model, and the Thole Tinker-like (another form of exponential screening function) functions. In this work, we evaluate the performance of polarizability models using a large set of amino acid analog pairs in conformations that are frequently observed in protein structures as a benchmark. For each amino acid pair, we calculated quantum mechanical interaction energies at the MP2/aug-cc-pVTZ//MP2/6-311++G(d,p) level with the basis set superposition error (BSSE) correction and compared them with molecular mechanics results. Encouragingly, all polarizable models significantly outperform the additive F94 and F03 models (mimicking AMBER ff94/ff99 and ff03 force fields, respectively) in reproducing the BSSE-corrected quantum mechanical interaction energies. In particular, the root-mean-square errors (RMSEs) for three Thole models in Set A (where the 1-2 and 1-3 interactions are turned off and all 1-4 interactions are included) are 1.456, 1.417, and 1.406 kcal/mol for model AL (Thole Linear), model AE (Thole exponential), and model AT (Thole Tinker-like), respectively. In contrast, the RMSEs are 3.729 and 3.433 kcal/mol for F94 and F03 models, respectively. A similar trend was observed for the average unsigned errors (AUEs), which are 1.057, 1.025, 1.011, 2.219, and 2.070 kcal/mol for AL, AE, AT, F94/ff99, and F03, respectively. Analyses based on the trend line slopes indicate that the two fixed charge models substantially underestimate the relative strengths of noncharge-charge interactions by 24 (F03) and 35% (F94), respectively, whereas the four polarizable models overestimate the relative strengths by 5 (AT), 3 (AL, AE), and 13% (AA), respectively. Agreement was further improved by adjusting the van der Waals parameters. Judging from the notably improved accuracy in

  4. Lagrangian theory of structure formation in relativistic cosmology. II. Average properties of a generic evolution model

    NASA Astrophysics Data System (ADS)

    Buchert, Thomas; Nayet, Charly; Wiegand, Alexander

    2013-06-01

    Kinematical and dynamical properties of a generic inhomogeneous cosmological model, spatially averaged with respect to free-falling (generalized fundamental) observers, are investigated for the matter model “irrotational dust.” Paraphrasing a previous Newtonian investigation, we present a relativistic generalization of a backreaction model based on volume-averaging the “relativistic Zel’dovich approximation.” In this model we investigate the effect of “kinematical backreaction” on the evolution of cosmological parameters as they are defined in an averaged inhomogeneous cosmology, and we show that the backreaction model interpolates between orthogonal symmetry properties by covering subcases of the plane-symmetric solution, the Lemaître-Tolman-Bondi solution and the Szekeres solution. We so obtain a powerful model that lays the foundations for quantitatively addressing curvature inhomogeneities as they would be interpreted as “dark energy” or “dark matter” in a quasi-Newtonian cosmology. The present model, having a limited architecture due to an assumed Friedmann-Lemaître-Robertson-Walker background, is nevertheless capable of replacing 1/4 of the needed amount for dark energy on domains of 200 Mpc in diameter for typical (one-sigma) fluctuations in a cold dark matter initial power spectrum. However, the model is far from explaining dark energy on larger scales (spatially), where a 6% effect on 400 Mpc domains is identified that can be traced back to an on average negative intrinsic curvature today. One drawback of the quantitative results presented is the fact that the epoch when backreaction is effective on large scales and leads to volume acceleration lies in the future. We discuss this issue in relation to the initial spectrum, the dark matter problem, the coincidence problem, and the fact that large-scale dark energy is an effect on the past light cone (not spatial), and we pinpoint key elements of future research.

  5. Mathematical modeling of cement paste microstructure by mosaic pattern. Part II. Application

    SciTech Connect

    Tennis, P.D.; Xi, Y.; Jennings, H.M.

    1997-07-01

    A model based on mosaic pattern analysis is shown to have the potential to describe the complex shapes and spatial distribution of phases in the microstructures of multiphase materials. Several characteristics of both micrographs of portland cement pastes and images generated using the few parameters of the model are determined and, for the most part, agreement is good. The advantage is that spatial features of the microstructures can be captured by a few parameters. {copyright} {ital 1997 Materials Research Society.}

  6. Computational models of music perception and cognition II: Domain-specific music processing

    NASA Astrophysics Data System (ADS)

    Purwins, Hendrik; Grachten, Maarten; Herrera, Perfecto; Hazan, Amaury; Marxer, Ricard; Serra, Xavier

    2008-09-01

    In Part I [Purwins H, Herrera P, Grachten M, Hazan A, Marxer R, Serra X. Computational models of music perception and cognition I: The perceptual and cognitive processing chain. Physics of Life Reviews 2008, in press, doi:10.1016/j.plrev.2008.03.004], we addressed the study of cognitive processes that underlie auditory perception of music, and their neural correlates. The aim of the present paper is to summarize empirical findings from music cognition research that are relevant to three prominent music theoretic domains: rhythm, melody, and tonality. Attention is paid to how cognitive processes like category formation, stimulus grouping, and expectation can account for the music theoretic key concepts in these domains, such as beat, meter, voice, consonance. We give an overview of computational models that have been proposed in the literature for a variety of music processing tasks related to rhythm, melody, and tonality. Although the present state-of-the-art in computational modeling of music cognition definitely provides valuable resources for testing specific hypotheses and theories, we observe the need for models that integrate the various aspects of music perception and cognition into a single framework. Such models should be able to account for aspects that until now have only rarely been addressed in computational models of music cognition, like the active nature of perception and the development of cognitive capacities from infancy to adulthood.

  7. Modeling heart rate regulation--part II: parameter identification and analysis.

    PubMed

    Fowler, K R; Gray, G A; Olufsen, M S

    2008-06-01

    In part I of this study we introduced a 17-parameter model that can predict heart rate regulation during postural change from sitting to standing. In this subsequent study, we focus on the 17 model parameters needed to adequately represent the observed heart rate response. In part I and in previous work (Olufsen et al. 2006), we estimated the 17 model parameters by minimizing the least squares error between computed and measured values of the heart rate using the Nelder-Mead method (a simplex algorithm). In this study, we compare the Nelder-Mead optimization method to two sampling methods: the implicit filtering method and a genetic algorithm. We show that these off-the-shelf optimization methods can work in conjunction with the heart rate model and provide reasonable parameter estimates with little algorithm tuning. In addition, we make use of the thousands of points sampled by the optimizers in the course of the minimization to perform an overall analysis of the model itself. Our findings show that the resulting least-squares problem has multiple local minima and that the non-linear-least squares error can vary over two orders of magnitude due to the complex interaction between the model parameters, even when provided with reasonable bound constraints. PMID:18172764

  8. Appendicularian ecophysiology. II. Modeling nutrition, metabolism, growth and reproduction of the appendicularian Oikopleura dioica

    NASA Astrophysics Data System (ADS)

    Lombard, Fabien; Sciandra, Antoine; Gorsky, Gabriel

    2009-11-01

    A model has been developed to simulate the growth of an individual appendicularian ( Oikopleura dioica) from egg to spawning. This model uses a new set of experimental data presented in a companion paper in this volume and estimates growth rates and generation times as well as clearance rates, house and fecal pellet production and reproductive capacity at different temperatures and food concentrations. According to the model outputs, the weight of a single house represents 11.5% of the individual's total weight, a lower value than previously estimated. The relative weight of one fecal pellet varies as a function of food concentration. The model also confirms that the minimum food concentration for growth is about 20-30 µg C l - 1 and that growth is maximal for a 100 µg C l - 1 feeding concentration. The limits of the growth optimum in relation to food concentration and temperature can be considered as a first description of the fundamental ecological niche of appendicularians. This model can be used both for predicting (1) the impact of in situ observed populations on the pico- and nanoseston and (2) the production of large aggregates. These two pieces of information are often needed for large-scale biogeochemical models.

  9. Pulsations of rapidly rotating stars. II. Realistic modelling for intermediate-mass stars

    NASA Astrophysics Data System (ADS)

    Ouazzani, R.-M.; Roxburgh, I. W.; Dupret, M.-A.

    2015-07-01

    Context. Very high precision seismic space missions such as CoRoT and Kepler provide the means for testing the modelling of transport processes in stellar interiors. For some stars, such as δ Scuti, γ Doradus, and Be stars, the observed pulsation spectra are modified by rotation to such an extent that it prevents any fruitful interpretation. Aims: Our aim is to characterise acoustic pulsation spectra of realistic stellar models in order to be able to interpret asteroseismic data from such stars. Methods: The 2D oscillation code ACOR, which treats rotation in a non-perturbative manner, is used to study pulsation spectra of highly distorted evolved models of stars. Two-dimensional models of stars are obtained by a self-consistent method that distorts spherically averaged stellar models a posteriori, at any stage of evolution, and for any type of rotation law. Results: Four types of modes are calculated in a very dense frequency spectrum, among which are island modes. The regularity of the island modes spectrum is confirmed and yields a new set of quantum numbers, with which an échelle diagram can be built. Mixed gravito-acoustic modes are calculated in rapidly rotating models for the first time.

  10. A unifying neuro-fasciagenic model of somatic dysfunction - Underlying mechanisms and treatment - Part II.

    PubMed

    Tozzi, Paolo

    2015-07-01

    This paper offers an extensive review of the main fascia-mediated mechanisms underlying various therapeutic processes of clinical relevance for manual therapy. The concept of somatic dysfunction is revisited in light of the several fascial influences that may come into play during and after manual treatment. A change in perspective is thus proposed: from a nociceptive model that for decades has viewed somatic dysfunction as a neurologically-mediated phenomenon, to a unifying neuro-fascial model that integrates neural influences into a multifactorial and multidimensional interpretation of manual therapeutic effects as being partially, if not entirely, mediated by the fascia. By taking into consideration a wide spectrum of fascia-related factors - from cell-based mechanisms to cognitive and behavioural influences - a model emerges suggesting, amongst other results, a multidisciplinary-approach to the intervention of somatic dysfunction. Finally, it is proposed that a sixth osteopathic 'meta-model' - the connective tissue-fascial model - be added to the existing five models in osteopathic philosophy as the main interface between all body systems, thus providing a structural and functional framework for the body's homoeostatic potential and its inherent abilities to heal. PMID:26118526

  11. Orthotopic Implantation and Peripheral Immune Cell Monitoring in the II-45 Syngeneic Rat Mesothelioma Model.

    PubMed

    Weir, Chris J; Hudson, Amanda L; Peters, Lyndsay; Howell, Viive M

    2015-01-01

    The enormous upsurge of interest in immune-based treatments for cancer such as vaccines and immune checkpoint inhibitors, and increased understanding of the role of the tumor microenvironment in treatment response, collectively point to the need for immune-competent orthotopic models for pre-clinical testing of these new therapies. This paper demonstrates how to establish an orthotopic immune-competent rat model of pleural malignant mesothelioma. Monitoring disease progression in orthotopic models is confounded by the internal location of the tumors. To longitudinally monitor disease progression and its effect on circulating immune cells in this and other rat models of cancer, a single tube flow cytometry assay requiring only 25 µl whole blood is described. This provides accurate quantification of seven immune parameters: total lymphocytes, monocytes and neutrophils, as well as the T-cell subsets CD4 and CD8, B-cells and Natural Killer cells. Different subsets of these parameters are useful in different circumstances and models, with the neutrophil to lymphocyte ratio having the greatest utility for monitoring disease progression in the mesothelioma model. Analyzing circulating immune cell levels using this single tube method may also assist in monitoring the response to immune-based treatments and understanding the underlying mechanisms leading to success or failure of treatment. PMID:26485154

  12. Inclusive Search for Standard Model Higgs Boson Production in the WW Decay Channel using the CDF II Detector

    SciTech Connect

    Aaltonen, T.; Adelman, J.; Alvarez Gonzalez, B.; Amerio, S.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J.; Apresyan, A.; /Purdue U. /Waseda U.

    2010-01-01

    We present a search for standard model (SM) Higgs boson production using p{bar p} collision data at {radical}s = 1.96 TeV, collected with the CDF II detector and corresponding to an integrated luminosity of 4.8 fb{sup -1}. We search for Higgs bosons produced in all processes with a significant production rate and decaying to two W bosons. We find no evidence for SM Higgs boson production and place upper limits at the 95% confidence level on the SM production cross section ({sigma}{sub H}) for values of the Higgs boson mass (m{sub H}) in the range 110 to 200 GeV. These limits are the most stringent for m{sub H} > 130 GeV and are 1.29 above the predicted value of {sigma}{sub H} for m{sub H} = 165 GeV.

  13. Towards an accurate and computationally-efficient modelling of Fe(II)-based spin crossover materials.

    PubMed

    Vela, Sergi; Fumanal, Maria; Ribas-Arino, Jordi; Robert, Vincent

    2015-07-01

    The DFT + U methodology is regarded as one of the most-promising strategies to treat the solid state of molecular materials, as it may provide good energetic accuracy at a moderate computational cost. However, a careful parametrization of the U-term is mandatory since the results may be dramatically affected by the selected value. Herein, we benchmarked the Hubbard-like U-term for seven Fe(ii)N6-based pseudo-octahedral spin crossover (SCO) compounds, using as a reference an estimation of the electronic enthalpy difference (ΔHelec) extracted from experimental data (T1/2, ΔS and ΔH). The parametrized U-value obtained for each of those seven compounds ranges from 2.37 eV to 2.97 eV, with an average value of U = 2.65 eV. Interestingly, we have found that this average value can be taken as a good starting point since it leads to an unprecedented mean absolute error (MAE) of only 4.3 kJ mol(-1) in the evaluation of ΔHelec for the studied compounds. Moreover, by comparing our results on the solid state and the gas phase of the materials, we quantify the influence of the intermolecular interactions on the relative stability of the HS and LS states, with an average effect of ca. 5 kJ mol(-1), whose sign cannot be generalized. Overall, the findings reported in this manuscript pave the way for future studies devoted to understand the crystalline phase of SCO compounds, or the adsorption of individual molecules on organic or metallic surfaces, in which the rational incorporation of the U-term within DFT + U yields the required energetic accuracy that is dramatically missing when using bare-DFT functionals. PMID:26040609

  14. Analytical model for non-thermal pressure in galaxy clusters - II. Comparison with cosmological hydrodynamics simulation

    NASA Astrophysics Data System (ADS)

    Shi, Xun; Komatsu, Eiichiro; Nelson, Kaylea; Nagai, Daisuke

    2015-03-01

    Turbulent gas motion inside galaxy clusters provides a non-negligible non-thermal pressure support to the intracluster gas. If not corrected, it leads to a systematic bias in the estimation of cluster masses from X-ray and Sunyaev-Zel'dovich (SZ) observations assuming hydrostatic equilibrium, and affects interpretation of measurements of the SZ power spectrum and observations of cluster outskirts from ongoing and upcoming large cluster surveys. Recently, Shi & Komatsu developed an analytical model for predicting the radius, mass, and redshift dependence of the non-thermal pressure contributed by the kinetic random motions of intracluster gas sourced by the cluster mass growth. In this paper, we compare the predictions of this analytical model to a state-of-the-art cosmological hydrodynamics simulation. As different mass growth histories result in different non-thermal pressure, we perform the comparison on 65 simulated galaxy clusters on a cluster-by-cluster basis. We find an excellent agreement between the modelled and simulated non-thermal pressure profiles. Our results open up the possibility of using the analytical model to correct the systematic bias in the mass estimation of galaxy clusters. We also discuss tests of the physical picture underlying the evolution of intracluster non-thermal gas motions, as well as a way to further improve the analytical modelling, which may help achieve a unified understanding of non-thermal phenomena in galaxy clusters.

  15. The clustering of baryonic matter. II: halo model and hydrodynamic simulations

    SciTech Connect

    Fedeli, C.; Semboloni, E.; Velliscig, M.; Daalen, M. Van; Schaye, J.; Hoekstra, H. E-mail: sembolon@strw.leidenuniv.nl E-mail: daalen@strw.leidenuniv.nl E-mail: hoekstra@strw.leidenuniv.nl

    2014-08-01

    We recently developed a generalization of the halo model in order to describe the spatial clustering properties of each mass component in the Universe, including hot gas and stars. In this work we discuss the complementarity of the model with respect to a set of cosmological simulations including hydrodynamics of different kinds. We find that the mass fractions and density profiles measured in the simulations do not always succeed in reproducing the simulated matter power spectra, the reason being that the latter encode information from a much larger range in masses than that accessible to individually resolved structures. In other words, this halo model allows one to extract information on the growth of structures from the spatial clustering of matter, that is complementary with the information coming from the study of individual objects. We also find a number of directions for improvement of the present implementation of the model, depending on the specific application one has in mind. The most relevant one is the necessity for a scale dependence of the bias of the diffuse gas component, which will be interesting to test with future detections of the Warm-Hot Intergalactic Medium. This investigation confirms the possibility to gain information on the physics of galaxy and cluster formation by studying the clustering of mass, and our next work will consist of applying the halo model to use future high-precision cosmic shear surveys to this end.

  16. Minimal agent based model for financial markets II. Statistical properties of the linear and multiplicative dynamics

    NASA Astrophysics Data System (ADS)

    Alfi, V.; Cristelli, M.; Pietronero, L.; Zaccaria, A.

    2009-02-01

    We present a detailed study of the statistical properties of the Agent Based Model introduced in paper I [Eur. Phys. J. B, DOI: 10.1140/epjb/e2009-00028-4] and of its generalization to the multiplicative dynamics. The aim of the model is to consider the minimal elements for the understanding of the origin of the stylized facts and their self-organization. The key elements are fundamentalist agents, chartist agents, herding dynamics and price behavior. The first two elements correspond to the competition between stability and instability tendencies in the market. The herding behavior governs the possibility of the agents to change strategy and it is a crucial element of this class of models. We consider a linear approximation for the price dynamics which permits a simple interpretation of the model dynamics and, for many properties, it is possible to derive analytical results. The generalized non linear dynamics results to be extremely more sensible to the parameter space and much more difficult to analyze and control. The main results for the nature and self-organization of the stylized facts are, however, very similar in the two cases. The main peculiarity of the non linear dynamics is an enhancement of the fluctuations and a more marked evidence of the stylized facts. We will also discuss some modifications of the model to introduce more realistic elements with respect to the real markets.

  17. Evaluating Impacts of CO2 Intrusion into an Unconsolidated Aquifer: II. Modeling Results

    SciTech Connect

    Zheng, Liange; Qafoku, Nikolla; Lawter, Amanda R.; Wang, Guohui; Shao, Hongbo; Brown, Christopher F.

    2015-08-04

    Large scale deployment of CO2 geological sequestration requires the assessment of the risks. One of the potential risks is the impact of CO2 leakage on shallow groundwater overlying the sequestration site.The understanding of the key chemical processes and parameters are critical for building numerical models for risk assessment. Model interpretation of laboratory and field tests is an effective way to enhance such understanding. Column experiments in which CO2 charged synthetic groundwater flowed through a column packed with material from High Plains aquifer was conducted and concentration of several constituents in the effluent water was analyzed. In this paper, reactive transport model was developed to interpret the observed concentration changes, attempting to shed light on the chemical reactions and key parameters that control the concentration changes of these constituents. The reactive transport model catches the concentration changes of pH, Ca, Mg, Ba, Sr, Cs, As and Pb fairly well. Calcite dissolution and Ca-driven cation exchange reactions are the major drivers for the concentration changes of Ca, Ba, Sr, and Cs. The pH-driven adsorption/desorption reactions lead to a concentration increase of As and Pb. The volume fraction and reactive surface area of calcite, CEC and sorption capacity are key parameters in determining the magnitude of concentration increase. Model results also show that the dissolution of calcite with Ba impurity could be an alternative explanation of the increase in Ba concentration.

  18. Effective single-band models for the high-Tc cuprates. II. Role of apical oxygen

    NASA Astrophysics Data System (ADS)

    Raimondi, R.; Jefferson, J. H.; Feiner, L. F.

    1996-04-01

    An effective single-band model for the cuprates is derived by a cell-perturbation method from a five-band model which includes d3z2-r2 orbitals on copper and pz orbitals on apical oxygen. In addition to the usual Zhang-Rice singlets of A1 symmetry, there are two-hole cell states of B1 symmetry, which can become low in energy and depend sensitively on the apical oxygen ions. Provided that hybridization with the apical oxygen orbital is sufficiently weak to permit reduction to a t-t'-J model, the main effect of the B1-symmetry states is to renormalize the effective next-nearest-neighbor hopping (t') of doped holes. This effect can be quite large and may even change the sign of t'. The variation of t' between various compounds due to differences in crystal structure is shown to correlate with Tmaxc, the critical temperature at optimum doping, suggesting that t' may be a crucial parameter for the low-energy physics, which moreover differentiates between the various cuprates. The effective single-band model is shown to break down when the apex level approaches the in-plane oxygen level, and to describe that situation, which cannot be ruled out completely for the cuprates with present experimental evidence, we propose a specific minimal effective (two-band) model.

  19. A partitioner-centric model for SAMR partitioning trade-off optimization : Part II.

    SciTech Connect

    Steensland, Johan; Ray, Jaideep

    2004-03-01

    Optimal partitioning of structured adaptive mesh applications necessitates dynamically determining and optimizing for the most time-inhibiting factor, such as data migration and communication volume. However, a trivial monitoring of an application evaluates the current partitioning rather than the inherent properties of the grid hierarchy. We present a model that given a structured adaptive grid, determines ab initio to what extent the partitioner should focus on reducing the amount of data migration to reduce execution time. This model contributes to the meta-partitioner, our ultimate aim of being able to select and configure the optimal partitioner based on the dynamic properties of the grid hierarchy and the computer. We validate the predictions of this model by comparing them with actual measurements (via traces) from four different adaptive simulations. The results show that the proposed model generally captures the inherent optimization-need in SAMR applications. We conclude that our model is a useful contribution, since tracking and adapting to the dynamic behavior of such applications lead to potentially large decreases in execution times.

  20. Universal tight binding model for chemical reactions in solution and at surfaces. II. Water

    SciTech Connect

    Lozovoi, A. Y.; Sheppard, T. J.; Kohanoff, J. J.; Pashov, D. L.; Paxton, A. T.

    2014-07-28

    A revised water model intended for use in condensed phase simulations in the framework of the self consistent polarizable ion tight binding theory is constructed. The model is applied to water monomer, dimer, hexamers, ice, and liquid, where it demonstrates good agreement with theoretical results obtained by more accurate methods, such as DFT and CCSD(T), and with experiment. In particular, the temperature dependence of the self diffusion coefficient in liquid water predicted by the model, closely reproduces experimental curves in the temperature interval between 230 K and 350 K. In addition, and in contrast to standard DFT, the model properly orders the relative densities of liquid water and ice. A notable, but inevitable, shortcoming of the model is underestimation of the static dielectric constant by a factor of two. We demonstrate that the description of inter and intramolecular forces embodied in the tight binding approximation in quantum mechanics leads to a number of valuable insights which can be missing from ab initio quantum chemistry and classical force fields. These include a discussion of the origin of the enhanced molecular electric dipole moment in the condensed phases, and a detailed explanation for the increase of coordination number in liquid water as a function of temperature and compared with ice—leading to insights into the anomalous expansion on freezing. The theory holds out the prospect of an understanding of the currently unexplained density maximum of water near the freezing point.

  1. Universal tight binding model for chemical reactions in solution and at surfaces. II. Water.

    PubMed

    Lozovoi, A Y; Sheppard, T J; Pashov, D L; Kohanoff, J J; Paxton, A T

    2014-07-28

    A revised water model intended for use in condensed phase simulations in the framework of the self consistent polarizable ion tight binding theory is constructed. The model is applied to water monomer, dimer, hexamers, ice, and liquid, where it demonstrates good agreement with theoretical results obtained by more accurate methods, such as DFT and CCSD(T), and with experiment. In particular, the temperature dependence of the self diffusion coefficient in liquid water predicted by the model, closely reproduces experimental curves in the temperature interval between 230 K and 350 K. In addition, and in contrast to standard DFT, the model properly orders the relative densities of liquid water and ice. A notable, but inevitable, shortcoming of the model is underestimation of the static dielectric constant by a factor of two. We demonstrate that the description of inter and intramolecular forces embodied in the tight binding approximation in quantum mechanics leads to a number of valuable insights which can be missing from ab initio quantum chemistry and classical force fields. These include a discussion of the origin of the enhanced molecular electric dipole moment in the condensed phases, and a detailed explanation for the increase of coordination number in liquid water as a function of temperature and compared with ice--leading to insights into the anomalous expansion on freezing. The theory holds out the prospect of an understanding of the currently unexplained density maximum of water near the freezing point. PMID:25084923

  2. Electromagnetic backscattering from one-dimensional drifting fractal sea surface II: Electromagnetic backscattering model

    NASA Astrophysics Data System (ADS)

    Tao, Xie; William, Perrie; Shang-Zhuo, Zhao; He, Fang; Wen-Jin, Yu; Yi-Jun, He

    2016-07-01

    Sea surface current has a significant influence on electromagnetic (EM) backscattering signals and may constitute a dominant synthetic aperture radar (SAR) imaging mechanism. An effective EM backscattering model for a one-dimensional drifting fractal sea surface is presented in this paper. This model is used to simulate EM backscattering signals from the drifting sea surface. Numerical results show that ocean currents have a significant influence on EM backscattering signals from the sea surface. The normalized radar cross section (NRCS) discrepancies between the model for a coupled wave-current fractal sea surface and the model for an uncoupled fractal sea surface increase with the increase of incidence angle, as well as with increasing ocean currents. Ocean currents that are parallel to the direction of the wave can weaken the EM backscattering signal intensity, while the EM backscattering signal is intensified by ocean currents propagating oppositely to the wave direction. The model presented in this paper can be used to study the SAR imaging mechanism for a drifting sea surface. Project supported by the National Natural Science Foundation of China (Grant No. 41276187), the Global Change Research Program of China (Grant No. 2015CB953901), the Priority Academic Program Development of Jiangsu Higher Education Institutions, China, the Program for the Innovation Research and Entrepreneurship Team in Jiangsu Province, China, the Canadian Program on Energy Research and Development, and the Canadian World Class Tanker Safety Service Program.

  3. Modeling of the AISI Two-Zone Smelter, Part II: Physical Modeling and the AISI Pilot Plant Trials

    SciTech Connect

    Keller, Joseph George; Zhang, X.; Fuehan, R. J.; Vassilicos, A.; Sarma, B.

    2001-06-01

    Physical modeling experiments were conducted for the American Iron and Steel Institute (AISI) two-zone smelter process. The effects of geometrical and operating parameters on backmixing flow rates were investigated. It was found that the driving force for a backmixing flow in the AISI smelter comes from gas stirring in a liquid bath. The backmixing flow rate in the AISI smelter is proportional to a bath depth and an opening area of a barrier. Based on the results of the physical modeling experiments, a dimensional analysis was performed to extrapolate the water modeling results to the operating conditions in the AISI pilot plant. Copper tracer trials were conducted at the AISI pilot plant to investigate the backmixing flow of the AISI two-zone smelter process. The results obtained from the pilot plant trials and the water modeling experiments were compared.

  4. Modeling Contamination Migration on the Chandra X-ray Observatory II

    NASA Technical Reports Server (NTRS)

    O'Dell, Steve; Swartz, Doug; Tice, Neil; Plucinsky, Paul; Grant, Catherine; Marshall, Herman; Vikhlinin, Alexey

    2013-01-01

    During its first 14 years of operation, the cold (about -60degC) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X-ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low-energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition may have changed, perhaps partially related to changes in the operating temperature of the ACIS housing. This evolution of the accumulation of the molecular contamination has motivated further analysis of contamination migration on the Chandra X-ray Observatory, particularly within and near the ACIS cavity. To this end, the current study employs a higher-fidelity geometric model of the ACIS cavity, detailed thermal modeling based upon monitored temperature data, and an accordingly refined model of the molecular transport.

  5. Modelling asteroid brightness variations. II - The interpretability of light curves and phase curves

    NASA Technical Reports Server (NTRS)

    Karttunen, H.; Bowell, E.

    1989-01-01

    Light curves and phase curves have been computed for various asteroid models using the Lumme-Bowell (1981) scattering law. The effects of the scattering parameters on light curves were found to be almost negligible for homogeneous surfaces. The effects on phase curves were more distinct, but changing any of the scattering parameters affects the phase curves in a very similar way, making it impossible to find a unique set of parameter values corresponding to a given phase curve. Light curve amplitudes, on the other hand, depend very strongly on body shape. At least in the case of a triaxial ellipsoid it is possible to determine the axial ratios. Some observed irregularities of light curves can also be modelled easily, but the uniqueness of such models is far from obvious.

  6. Recent developments in modeling of hot rolling processes: Part II - Applications

    NASA Astrophysics Data System (ADS)

    Hirt, Gerhard; Bambach, Markus; Seuren, Simon; Henke, Thomas; Lohmar, Johannes

    2013-05-01

    This publication gives a short overview of current developments in modeling and simulation of hot rolling processes of metals at the Institute of Metal Forming of RWTH Aachen University. It is based on the fundamentals treated in Part I also contained in this conference issue. It features applications in the field of fast on-line models, where a fast multi-stage rolling model and an analytical approach for predicting the through-thickness shear distribution are presented. In addition, a new concept for sensitivity analysis by automatic differentiation is introduced and discussed. Finally, applications of rolling simulations in the field of integrated computational materials engineering are presented with a focus on TWIP and linepipe steels as well as aluminum.

  7. The topology of large-scale structure. II - Nonlinear evolution of Gaussian models

    NASA Technical Reports Server (NTRS)

    Melott, Adrian L.; Weinberg, David H.; Gott, J. Richard, III

    1988-01-01

    The evolution of non-Gaussian behavior in the large-scale universe from Gaussian initial conditions is studied. Topology measures developed in previous papers are applied to the smoothed initial, final, and biased matter distributions of cold dark matter, white noise, and massive neutrino simulations. When the smoothing length is approximately twice the mass correlation length or larger, the evolved models look like the initial conditions, suggesting that random phase hypotheses in cosmology can be tested with adequate data sets. When a smaller smoothing length is used, nonlinear effects are recovered, so nonlinear effects on topology can be detected in redshift surveys after smoothing at the mean intergalaxy separation. Hot dark matter models develop manifestly non-Gaussian behavior attributable to phase correlations, with a topology reminiscent of bubble or sheet distributions. Cold dark matter models remain Gaussian, and biasing does not disguise this.

  8. Southern california offshore air quality model validation study. Volume II: synthesis of findings. Final report

    SciTech Connect

    Zannetti, P.; Wilbur, D.M.; Baxter, R.A.

    1981-11-01

    This volume describes the significant results of a BLM-funded study conducted jointly by AeroVironment Inc. and the Naval Postgraduate School to validate and/or modify screening models commonly used to predict onshore air quality impacts from outer continental shelf (OCS) emission sources. The study involved both field experiments and computer modeling analysis to give a better understanding of dispersion over water and at the land/sea interface. Two field experiments were performed releasing SF tracer gas from a research vessel offshore the Ventura-Oxnard, California coastal area in September, 1980 and January, 1981. Modifications are discussed for standard Gaussian models to predict peak plume concentration values, the horizontal and vertical shape of the plume, and peak ground-level impacts from OCS emission sources.

  9. Magma oceanography. II - Chemical evolution and crustal formation. [lunar crustal rock fractional crystallization model

    NASA Technical Reports Server (NTRS)

    Longhi, J.

    1977-01-01

    A description is presented of an empirical model of fractional crystallization which predicts that slightly modified versions of certain of the proposed whole moon compositions can reproduce the major-element chemistry and mineralogy of most of the primitive highland rocks through equilibrium and fractional crystallization processes combined with accumulation of crystals and trapping of residual liquids. These compositions contain sufficient Al to form a plagioclase-rich crust 60 km thick on top of a magma ocean that was initially no deeper than about 300 km. Implicit in the model are the assumptions that all cooling and crystallization take place at low pressure and that there are no compositional or thermal gradients in the liquid. Discussions of the cooling and crystallization of the proposed magma ocean show these assumptions to be disturbingly naive when applied to the ocean as a whole. However, the model need not be applied to the whole ocean, but only to layers of cooling liquid near the surface.

  10. Microwave dielectric spectrum of vegetation. I - Experimental observations. II - Dual-dispersion model

    NASA Technical Reports Server (NTRS)

    El-Rayes, Mohamed A.; Ulaby, Fawwaz T.

    1987-01-01

    The microwave dielectric behavior of vegetation materials is examined as a function of water content, microwave frequency, and temperature. Dielectric spectra for various types of vegetation, such as leaves, stalks, and trunks at various moisture conditions, were measured using a coaxial probe technique. The basic features and operation of the coaxial probe system are described. Examples of dielectric measurements for the vegetation materials are presented, and the relation between temperature and the dielectric constant is studied. The development of a dual-dispersion model that accounts for the dielectric properties of water in both free and bound conditions is described. The applicability of the model is evaluated by comparing it with the dielectric data; good correlation is observed between the model and the data over a wide range of moisture conditions and over the 0.2-20 GHz range.

  11. Fluctuating currents in stochastic thermodynamics. II. Energy conversion and nonequilibrium response in kinesin models

    NASA Astrophysics Data System (ADS)

    Altaner, Bernhard; Wachtel, Artur; Vollmer, Jürgen

    2015-10-01

    Unlike macroscopic engines, the molecular machinery of living cells is strongly affected by fluctuations. Stochastic thermodynamics uses Markovian jump processes to model the random transitions between the chemical and configurational states of these biological macromolecules. A recently developed theoretical framework [A. Wachtel, J. Vollmer, and B. Altaner, Phys. Rev. E 92, 042132 (2015), 10.1103/PhysRevE.92.042132] provides a simple algorithm for the determination of macroscopic currents and correlation integrals of arbitrary fluctuating currents. Here we use it to discuss energy conversion and nonequilibrium response in different models for the molecular motor kinesin. Methodologically, our results demonstrate the effectiveness of the algorithm in dealing with parameter-dependent stochastic models. For the concrete biophysical problem our results reveal two interesting features in experimentally accessible parameter regions: the validity of a nonequilibrium Green-Kubo relation at mechanical stalling as well as a negative differential mobility for superstalling forces.

  12. Fluctuating currents in stochastic thermodynamics. II. Energy conversion and nonequilibrium response in kinesin models.

    PubMed

    Altaner, Bernhard; Wachtel, Artur; Vollmer, Jürgen

    2015-10-01

    Unlike macroscopic engines, the molecular machinery of living cells is strongly affected by fluctuations. Stochastic thermodynamics uses Markovian jump processes to model the random transitions between the chemical and configurational states of these biological macromolecules. A recently developed theoretical framework [A. Wachtel, J. Vollmer, and B. Altaner, Phys. Rev. E 92, 042132 (2015)] provides a simple algorithm for the determination of macroscopic currents and correlation integrals of arbitrary fluctuating currents. Here we use it to discuss energy conversion and nonequilibrium response in different models for the molecular motor kinesin. Methodologically, our results demonstrate the effectiveness of the algorithm in dealing with parameter-dependent stochastic models. For the concrete biophysical problem our results reveal two interesting features in experimentally accessible parameter regions: the validity of a nonequilibrium Green-Kubo relation at mechanical stalling as well as a negative differential mobility for superstalling forces. PMID:26565194

  13. International Space Station Human Behavior and Performance Competency Model: Volume II

    NASA Technical Reports Server (NTRS)

    Schmidt, Lacey

    2008-01-01

    This document further defines the behavioral markers identified in the document "Human Behavior and Performance Competency Model" Vol. I. The Human Behavior and Performance (HBP) competencies were recommended as requirements to participate in international long duration missions, and form the basis for determining the HBP training curriculum for long duration crewmembers. This document provides details, examples, knowledge areas, and affective skills to support the use of the HBP competencies in training and evaluation. This document lists examples and details specific to HBP competencies required of astronauts/cosmonauts who participate in ISS expedition and other international long-duration missions. Please note that this model does not encompass all competencies required. While technical competencies are critical for crewmembers, they are beyond the scope of this document. Additionally, the competencies in this model (and subsequent objectives) are not intended to limit the internal activities or training programs of any international partner.

  14. Enthalpy-Based Thermal Evolution of Loops: II. Improvements to the Model

    NASA Technical Reports Server (NTRS)

    Cargill, P. J.; Bradshaw, S. J.; Klimchuk, J. A.

    2011-01-01

    This paper further develops the zero-dimensional (0D) hydrodynamic coronal loop model "Enthalpy-based Thermal Evolution of Loops" (EBTEL) originally proposed by Klimchuk et al (2008), which studies the plasma response to evolving coronal heating. It has typically been applied to impulsive heating events. The basis of EBTEL is the modelling of mass exchange between the corona and transition region and chromosphere in response to heating variations, with the key parameter being the ratio of transition region to coronal radiation. We develop new models for this parameter that now include gravitational stratification and a physically motivated approach to radiative cooling. A number of examples are presented, including nanoflares in short and long loops, and a small flare. It is found that while the evolution of the loop temperature is rather insensitive to the details of the model, accurate tracking of the density requires the inclusion of our new features. In particular, we are able to now obtain highly over-dense loops in the late cooling phase and decreases to the coronal density arising due to stratification. The 0D results are compared to a 1D hydro code (Hydrad). The agreement is acceptable, with the exception of the flare case where some versions of Hydrad can give significantly lower densities. This is attributed to the method used to model the chromosphere in a flare. EBTEL is suitable for general use as a tool for (a) quick-look results of loop evolution in response to a given heating function and (b) situations where the modelling of hundreds or thousands of elemental loops is needed. A single run takes a few seconds on a contemporary laptop.

  15. Contact of clay-liner materials with acidic tailings. II. Chemical modeling

    SciTech Connect

    Peterson, S.R.; Krupka, K.M.

    1981-09-01

    The ion speciation-solubility model WATEQ3 was used to model original aqueous solutions and solutions resulting from liner materials contacted with uranium mill tailings, synthetic mill tailings or H/sub 2/SO/sub 4/. The modeling results indicate solution species which are in apparent equilibrium with respect to particular solids. These solids provide potential solubility controls for their corresponding dissolved constituents. The disequilibrium indices computed by WATEQ3 indicate amorphic Fe(OH)/sub 3/(A), Al0HO/sub 4/, alunite (KA1/sub 3/(SO/sub 4/)/sub 2/(OH)/sub 6/), gypsum (CaSO/sub 4/ . 2H/sub 2/O), celestite (SrSO/sub 4/), anglesite (PbSO/sub 4/) and MnHPO/sub 4/ may have precipitated in the contacted liner materials and may also provide solubility controls for their dissolved constituents. The disequilibrium indices also show that the solutions resulting from the interaction of Highland Mill tailings are oversaturated with K-, H-, and Na-jarosites ((K,H,Na)Fe/sub 3/(SO/sub 4/)/sub 2/(OH)/sub 6/). Because jarosite has been identified by x-ray diffraction as a precipitate in these reacted liner materials, it would appear that there is a kinetic barrier which prohibits jarosite from being an effective solubility control. Results of this study also show that the solubilities of many solid phases were pH dependent. This exploratory use of geochemical modeling has demonstrated its capability to test solubility hypotheses for clay liners reacted with tailings solutions and to guide the analyses of important constituents and parameters for these solutions. Geochemical modeling can be used, in parallel with characterization techniques for the solid phases, to support the presence of the solid phase and to guide the search for further solid phases. Geochemical modeling is also an effective tool in delineating the chemical causes for changes in permeability of liner materials.

  16. The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

    PubMed Central

    Noid, W. G.; Liu, Pu; Wang, Yanting; Chu, Jhih-Wei; Ayton, Gary S.; Izvekov, Sergei; Andersen, Hans C.; Voth, Gregory A.

    2008-01-01

    The multiscale coarse-graining (MS-CG) method [S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 2469 (2005);J. Chem. Phys. 123, 134105 (2005)] employs a variational principle to determine an interaction potential for a CG model from simulations of an atomically detailed model of the same system. The companion paper proved that, if no restrictions regarding the form of the CG interaction potential are introduced and if the equilibrium distribution of the atomistic model has been adequately sampled, then the MS-CG variational principle determines the exact many-body potential of mean force (PMF) governing the equilibrium distribution of CG sites generated by the atomistic model. In practice, though, CG force fields are not completely flexible, but only include particular types of interactions between CG sites, e.g., nonbonded forces between pairs of sites. If the CG force field depends linearly on the force field parameters, then the vector valued functions that relate the CG forces to these parameters determine a set of basis vectors that span a vector subspace of CG force fields. The companion paper introduced a distance metric for the vector space of CG force fields and proved that the MS-CG variational principle determines the CG force force field that is within that vector subspace and that is closest to the force field determined by the many-body PMF. The present paper applies the MS-CG variational principle for parametrizing molecular CG force fields and derives a linear least squares problem for the parameter set determining the optimal approximation to this many-body PMF. Linear systems of equations for these CG force field parameters are derived and analyzed in terms of equilibrium structural correlation functions. Numerical calculations for a one-site CG model of methanol and a molecular CG model of the EMIM+∕NO3− ionic liquid are provided to illustrate the method. PMID:18601325

  17. Three-dimensional modeling of diesel engine intake flow, combustion and emissions-II

    SciTech Connect

    Reitz, R.D.; Rutland, C.J.

    1993-09-01

    A three-dimensional computer code, KIVA, is being modified to include state-of-the-art submodels for diesel engine flow and combustion. Improved and/or new submodels which have already been implemented and previously reported are: Wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo`vich NO{sub x}, and spray/wall impingement with rebounding and sliding drops. Progress on the implementation of improved spray drop drag and drop breakup models, the formulation and testing of a multistep kinetics ignition model and preliminary soot modeling results are described in this report. In addition, the use of a block structured version of KIVA to model the intake flow process is described. A grid generation scheme has been developed for modeling realistic (complex) engine geometries, and computations have been made of intake flow in the ports and combustion chamber of a two-intake-valve engine. The research also involves the use of the code to assess the effects of subprocesses on diesel engine performance. The accuracy of the predictions is being tested by comparisons with engine experiments. To date, comparisons have been made with measured engine cylinder pressure, temperature and heat flux data, and the model results are in good agreement with the experiments. Work is in progress that will allow validation of in-cylinder flow and soot formation predictions. An engine test facility is described that is being used to provide the needed validation data. Test results have been obtained showing the effect of injection rate and split injections on engine performance and emissions.

  18. Surface complexation modeling of Cu(II) adsorption on mixtures of hydrous ferric oxide and kaolinite

    PubMed Central

    Lund, Tracy J; Koretsky, Carla M; Landry, Christopher J; Schaller, Melinda S; Das, Soumya

    2008-01-01

    Background The application of surface complexation models (SCMs) to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids. Results Cu adsorption was measured on pure hydrous ferric oxide (HFO), pure kaolinite (from two sources) and in systems containing mixtures of HFO and kaolinite over a wide range of pH, ionic strength, sorbate/sorbent ratios and, for the mixed solid systems, using a range of kaolinite/HFO ratios. Cu adsorption data measured for the HFO and kaolinite systems was used to derive diffuse layer surface complexation models (DLMs) describing Cu adsorption. Cu adsorption on HFO is reasonably well described using a 1-site or 2-site DLM. Adsorption of Cu on kaolinite could be described using a simple 1-site DLM with formation of a monodentate Cu complex on a variable charge surface site. However, for consistency with models derived for weaker sorbing cations, a 2-site DLM with a variable charge and a permanent charge site was also developed. Conclusion Component additivity predictions of speciation in mixed mineral systems based on DLM parameters derived for the pure mineral systems were in good agreement with measured data. Discrepancies between the model predictions and measured data were similar to those observed for the calibrated pure mineral systems. The results suggest that quantifying specific interactions between HFO and kaolinite in speciation models may not be necessary. However, before the component additivity approach can be applied to natural sediments and soils, the effects of aging must be further studied and methods must be developed to estimate reactive surface areas of solid constituents in natural samples. PMID:18783619

  19. The Macroscopic Entrainment Processes of Simulated Cumulus Ensemble. Part II: Testing the Entraining-Plume Model.

    NASA Astrophysics Data System (ADS)

    Lin, Chichung; Arakawa, Akio

    1997-04-01

    According to Part I of this paper, it seems that ignoring the contribution from descendent cloud air in a cloud model for cumulus parameterization (CMCP), such as the spectral cumulus ensemble model in the Arakawa-Schubert parameterization, is an acceptable simplification for tropical deep convection. Since each subensemble in the spectral cumulus ensemble model is formally analogous to an entraining plume, the latter is examined using the simulated data from a cloud-resolving model (CRM). The authors first follow the analysis procedure of Warner. With the data from a nonprecipitating experiment, the authors show that the entraining-plume model cannot simultaneously predict the mean liquid water profile and cloud top height of the clouds simulated by the CRM. However, the mean properties of active elements of clouds, which are characterized by strong updrafts, can be described by an entraining plume of similar top height.With the data from a precipitating experiment, the authors examine the spectral cumulus ensemble model using the Paluch diagram. It is found that the spectral cumulus ensemble model appears adequate if different types of clouds in the spectrum are interpreted as subcloud elements with different entrainment characteristics. The resolved internal structure of clouds can thus be viewed as a manifestation of a cloud spectrum. To further investigate whether the fractional rate of entrainment is an appropriate parameter for characterizing cloud types in the spectral cumulus ensemble model, the authors stratify the simulated saturated updrafts (subcloud elements) into different types according to their eventual heights and calculate the cloud mass flux and mean moist static energy for each type. Entrainment characteristics are then inferred through the cloud mass flux and in-cloud moist static energy. It is found that different types of subcloud elements have distinguishable thermodynamic properties and entrainment characteristics. However, for each cloud

  20. [Succession caused by beaver (Castor fiber L.) life activity: II. A refined Markov model].

    PubMed

    Logofet; Evstigneev, O I; Aleinikov, A A; Morozova, A O

    2015-01-01

    The refined Markov model of cyclic zoogenic successions caused by beaver (Castor fiber L.) life activity represents a discrete chain of the following six states: flooded forest, swamped forest, pond, grassy swamp, shrubby swamp, and wet forest, which correspond to certain stages of succession. Those stages are defined, and a conceptual scheme of probable transitions between them for one time step is constructed from the knowledge of beaver behaviour in small river floodplains of "Bryanskii Les" Reserve. We calibrated the corresponding matrix of transition probabilities according to the optimization principle: minimizing differences between the model outcome and reality; the model generates a distribution of relative areas corresponding to the stages of succession, that has to be compared to those gained from case studies in the Reserve during 2002-2006. The time step is chosen to equal 2 years, and the first-step data in the sum of differences are given various weights, w (between 0 and 1). The value of w = 0.2 is selected due to its optimality and for some additional reasons. By the formulae of finite homogeneous Markov chain theory, we obtained the main results of the calibrated model, namely, a steady-state distribution of stage areas, indexes of cyclicity, and the mean durations (M(j)) of succession stages. The results of calibration give an objective quantitative nature to the expert knowledge of the course of succession and get a proper interpretation. The 2010 data, which are not involved in the calibration procedure, enabled assessing the quality of prediction by the homogeneous model in short-term (from the 2006 situation): the error of model area distribution relative to the distribution observed in 2010 falls into the range of 9-17%, the best prognosis being given by the least optimal matrices (rejected values of w). This indicates a formally heterogeneous nature of succession processes in time. Thus, the refined version of the homogeneous Markov chain

  1. A reduced model for shock and detonation waves. II. The reactive case

    NASA Astrophysics Data System (ADS)

    Maillet, J. B.; Soulard, L.; Stoltz, G.

    2007-06-01

    We present a mesoscopic model for reactive shock waves, which extends the model proposed in G. Stoltz, Europhys. Lett., 76 (2006) 849. A complex molecule (or a group of molecules) is replaced by a single mesoparticle, evolving according to some Dissipative Particle Dynamics. Chemical reactions can be handled in a mean way by considering an additional variable per particle describing the progress of the reaction. The evolution of the progress variable is governed by the kinetics of a reversible exothermic reaction. Numerical results give profiles in qualitative agreement with all-atom studies.

  2. A mathematical model of ethanol fermentation from cheese whey. II. Simulation and comparison with experimental data

    SciTech Connect

    Wang, Chen-Jen; Bajpai, R.K.

    1997-12-31

    A cybernetic model for microbial growth on mixed substrates was used to simulate the anaerobic fermentation of cheese whey and multiple sugars in semisynthetic media by Kluyveromyces marxianus CBS 397. The model simulations quite successfully predicted the observed behavior in batch and during transients in continuous operation, in single-substrate systems as well as in media involving multiple substrates, and in semisynthetic and reconstituted cheese whey solutions. The results of simulations and their comparison with the experimental data are presented. 7 refs., 11 figs., 2 tabs.

  3. Palladium(II) complex with S-allyl- L-cysteine: New solid-state NMR spectroscopic measurements, molecular modeling and antibacterial assays

    NASA Astrophysics Data System (ADS)

    Spera, Marcelle B. M.; Quintão, Frederico A.; Ferraresi, Diego K. D.; Lustri, Wilton R.; Magalhães, Alviclér; Formiga, André L. B.; Corbi, Pedro P.

    2011-01-01

    Nuclear magnetic resonance studies, molecular modeling and antibacterial assays of the palladium(II) complex with S-allyl- L-cysteine (deoxyalliin) are presented. Studies based on solid and solution 13C and 15N nuclear magnetic resonance (NMR) spectroscopy confirmed that the palladium(II) complex preserved the same structural arrangement in both states, with no modifications on coordination sphere when dissolved in water. Density functional theory (DFT) studies stated that the trans isomer is the most stable one. Antibacterial activities of S-allyl- L-cysteine and its palladium(II) complex were evaluated by antibiogram assays using the disc diffusion method. The palladium(II) complex showed an effective antibacterial activity against S taphylococcus aureus (Gram-positive), Escherichia coli and Pseudomonas aeruginosa (Gram-negative) bacterial cells.

  4. ENTHALPY-BASED THERMAL EVOLUTION OF LOOPS. II. IMPROVEMENTS TO THE MODEL

    SciTech Connect

    Cargill, P. J.; Bradshaw, S. J.; Klimchuk, J. A.

    2012-06-20

    This paper develops the zero-dimensional (0D) hydrodynamic coronal loop model 'Enthalpy-based Thermal Evolution of Loops' (EBTEL) proposed by Klimchuk et al., which studies the plasma response to evolving coronal heating, especially impulsive heating events. The basis of EBTEL is the modeling of mass exchange between the corona and transition region (TR) and chromosphere in response to heating variations, with the key parameter being the ratio of the TR to coronal radiation. We develop new models for this parameter that now include gravitational stratification and a physically motivated approach to radiative cooling. A number of examples are presented, including nanoflares in short and long loops, and a small flare. The new features in EBTEL are important for accurate tracking of, in particular, the density. The 0D results are compared to a 1D hydro code (Hydrad) with generally good agreement. EBTEL is suitable for general use as a tool for (1) quick-look results of loop evolution in response to a given heating function, (2) extensive parameter surveys, and (3) situations where the modeling of hundreds or thousands of elemental loops is needed. A single run takes a few seconds on a contemporary laptop.

  5. A General Pressure Gradient Formulation for Ocean Models - Part II: Energy, Momentum, and Bottom Torque Consistency

    NASA Technical Reports Server (NTRS)

    Song, Y.; Wright, D.

    1998-01-01

    A formulation of the pressure gradient force for use in models with topography-following coordinates is proposed and diagnostically analyzed by Song. We investigate numerical consistency with respect to global energy conservation, depth-integrated momentum changes, and the represent of the bottom pressure torque.

  6. The Discrepancy Evaluation Model. II. The Application of the DEM to an Educational Program.

    ERIC Educational Resources Information Center

    Steinmetz, Andres

    1976-01-01

    The discrepancy evaluation model (DEM) specifies that evaluation consists of comparing performance with a standard, yielding discrepancy information. DEM is applied to programs in order to improve the program by making standards-performance-discrepancy cycles explicit and public. Action-oriented planning is involved in creating standards; a useful…

  7. An engineering treatise on the CARE II dual mode and coverage models

    NASA Technical Reports Server (NTRS)

    1976-01-01

    A mathematical model used to calculate the reliability of any dual-mode, spare-switching computer system was described, and some illustrative examples were presented. The possibility of extending the resultant computer program further was also examined, enabling it, in particular, to accommodate computer configurations involving more than two modes of operation.

  8. Framework for a Quantitative Systemic Toxicity Model (FutureToxII)

    EPA Science Inventory

    EPA’s ToxCast program profiles the bioactivity of chemicals in a diverse set of ~700 high throughput screening (HTS) assays. In collaboration with L’Oreal, a quantitative model of systemic toxicity was developed using no effect levels (NEL) from ToxRefDB for 633 chemicals with HT...

  9. The Rossby Centre Regional Atmospheric Climate Model part II: application to the Arctic climate.

    PubMed

    Jones, Colin G; Wyser, Klaus; Ullerstig, Anders; Willén, Ulrika

    2004-06-01

    The Rossby Centre regional climate model (RCA2) has been integrated over the Arctic Ocean as part of the international ARCMIP project. Results have been compared to observations derived from the SHEBA data set. The standard RCA2 model overpredicts cloud cover and downwelling longwave radiation, during the Arctic winter. This error was improved by introducing a new cloud parameterization, which significantly improves the annual cycle of cloud cover. Compensating biases between clear sky downwelling longwave radiation and longwave radiation emitted from cloud base were identified. Modifications have been introduced to the model radiation scheme that more accurately treat solar radiation interaction with ice crystals. This leads to a more realistic representation of cloud-solar radiation interaction. The clear sky portion of the model radiation code transmits too much solar radiation through the atmosphere, producing a positive bias at the top of the frequent boundary layer clouds. A realistic treatment of the temporally evolving albedo, of both sea-ice and snow, appears crucial for an accurate simulation of the net surface energy budget. Likewise, inclusion of a prognostic snow-surface temperature seems necessary, to accurately simulate near-surface thermodynamic processes in the Arctic. PMID:15264599

  10. THE OHIO RIVER BASIN ENERGY FACILITY SITING MODEL. VOLUME II: SITES AND ON-LINE DATES

    EPA Science Inventory

    The report was prepared as part of the Ohio River Basin Energy Study (ORBES), a multidisciplinary policy research program. The siting model developed for ORBES is specifically designed for regional policy analysis. The region includes 423 counties in an area that consists of all ...

  11. The Raspberry model for hydrodynamic interactions revisited. II. The effect of confinement

    NASA Astrophysics Data System (ADS)

    de Graaf, Joost; Peter, Toni; Fischer, Lukas P.; Holm, Christian

    2015-08-01

    The so-called "raspberry" model refers to the hybrid lattice-Boltzmann (LB) and Langevin molecular dynamics schemes for simulating the dynamics of suspensions of colloidal particles, originally developed by Lobaskin and Dünweg [New J. Phys. 6, 54 (2004)], wherein discrete surface points are used to achieve fluid-particle coupling. In this paper, we present a follow up to our study of the effectiveness of the raspberry model in reproducing hydrodynamic interactions in the Stokes regime for spheres arranged in a simple-cubic crystal [Fischer et al., J. Chem. Phys. 143, 084107 (2015)]. Here, we consider the accuracy with which the raspberry model is able to reproduce such interactions for particles confined between two parallel plates. To this end, we compare our LB simulation results to established theoretical expressions and finite-element calculations. We show that there is a discrepancy between the translational and rotational mobilities when only surface coupling points are used, as also found in Part I of our joint publication. We demonstrate that adding internal coupling points to the raspberry can be used to correct said discrepancy in confining geometries as well. Finally, we show that the raspberry model accurately reproduces hydrodynamic interactions between a spherical colloid and planar walls up to roughly one LB lattice spacing.

  12. QUANTIFYING SEASONAL SHIFTS IN NITROGEN SOURCES TO OREGON ESTUARIES: PART II: TRANSPORT MODELING

    EPA Science Inventory

    Identifying the sources of dissolved inorganic nitrogen (DIN) in estuaries is complicated by the multiple sources, temporal variability in inputs, and variations in transport. We used a hydrodynamic model to simulate the transport and uptake of three sources of DIN (oceanic, riv...

  13. Nanoparticle mass transfer from lung airways to systemic regions--Part II: Multi-compartmental modeling.

    PubMed

    Kolanjiyil, Arun V; Kleinstreuer, Clement

    2013-12-01

    This is the second article of a two-part paper, combining high-resolution computer simulation results of inhaled nanoparticle deposition in a human airway model (Kolanjiyil and Kleinstreuer, 2013, "Nanoparticle Mass Transfer From Lung Airways to Systemic Regions--Part I: Whole-Lung Aerosol Dynamics," ASME J. Biomech. Eng., 135(12), p. 121003) with a new multicompartmental model for insoluble nanoparticle barrier mass transfer into systemic regions. Specifically, it allows for the prediction of temporal nanoparticle accumulation in the blood and lymphatic systems and in organs. The multicompartmental model parameters were determined from experimental retention and clearance data in rat lungs and then the validated model was applied to humans based on pharmacokinetic cross-species extrapolation. This hybrid simulator is a computationally efficient tool to predict the nanoparticle kinetics in the human body. The study provides critical insight into nanomaterial deposition and distribution from the lungs to systemic regions. The quantitative results are useful in diverse fields such as toxicology for exposure-risk analysis of ubiquitous nanomaterial and pharmacology for nanodrug development and targeting. PMID:24008585

  14. Endosulfan transport: II. Modeling airborne dispersal and deposition by spray and vapor.

    PubMed

    Raupach, M R; Briggs, P R; Ahmad, N; Edge, V E

    2001-01-01

    Endosulfan (C9H6O3Cl6S; 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide) and other agricultural chemicals can be transported from farms to rivers by several airborne pathways including spray drift and vapor transport. This paper describes a modeling framework for quantifying both of these airborne pathways, consisting of components describing the source, dispersion, and deposition phases of each pathway. Throughout, the framework uses economical descriptions consistent with the need to capture the major physical processes. The dispersion of spray and vapor is described by similarity and mass-conservation principles approximated by Gaussian solutions. Deposition of particles to vegetation is described by a single-layer model incorporating contributions from settling, impaction, and Brownian diffusion. Vapor deposition to water surfaces is described by a simple kinetic formulation dependent on an exchange velocity. All model components are tested against available field and laboratory data. The models, and the measurements used for comparisons, both demonstrate that spray drift and vapor transport are significant pathways. The broader context, described in another paper, is an integrative assessment of all transport pathways (both airborne and waterborne) contributing to endosulfan transport from farms to rivers. PMID:11401262

  15. The Etched Hourglass Nebula MyCn18: II A Spatio-Kinematic Model

    NASA Technical Reports Server (NTRS)

    Dayal, A.; Sahai, R.; Watson, A.; Trauger, J.; Burrows, C.; Stapelfeldt, K.; Gallagher, J.

    1999-01-01

    We have observed MyCn18, a young Planetary Nebulae with HST/WFPC2 and presented the observational results in an earlier paper. Here we present a detailed spatial/kinematical model of H alpha emission from the nebula.

  16. Primitive models of chemical association. II. Polymerization into flexible chain molecules of prescribed length

    SciTech Connect

    Kalyuzhnyi, Y.V. |; Lin, C.; Stell, G.

    1997-02-01

    The structural properties of the totally flexible sticky two-point (S2P) model for polymerization into chain molecules of fixed length are studied. The model is represented by an n-component mixture of hard spheres of the same size with species 2,{hor_ellipsis},n{minus}1 bearing two attractive sticky sites A and B, randomly distributed on the surface. The hard spheres of species 1 and n have only one site per particle, site B for species 1 and site A for species n. Due to the specific choice for the attractive interaction, which is present only between site B of the particles of species a and site A of the particles of species a+1, this version of the S2P model represents an associating fluid that polymerizes into freely jointed tangent hard-sphere chain molecules. The correlation functions of this model are studied at all degrees of association using a recently obtained general solution of the polymer Percus{endash}Yevick (PPY) approximation [Yu. Kalyuzhnyi and P. Cummings, J. Chem. Phys. {bold 103}, 3265 (1995)]. Comparison of the results of the present theory in the complete association limit with corresponding computer-simulation results and results of other theories is presented and discussed. The complete-association results constitute a quantitatively successful theory of the mean monomer{endash}monomer distribution functions for n{le}16 but for n=50 these functions are no longer quantitatively accurate. {copyright} {ital 1997 American Institute of Physics.}

  17. System for the Analysis of Global Energy Markets - Vol. II, Model Documentation

    EIA Publications

    2003-01-01

    The second volume provides a data implementation guide that lists all naming conventions and model constraints. In addition, Volume 1 has two appendixes that provide a schematic of the System for the Analysis of Global Energy Markets (SAGE) structure and a listing of the source code, respectively.

  18. Theories of multiple equilibria and weather regimes : A critical reexamination. II - Baroclinic two-layer models

    NASA Technical Reports Server (NTRS)

    Cehelsky, Priscilla; Tung, Ka Kit

    1987-01-01

    Previous results based on low- and intermediate-order truncations of the two-layer model suggest the existence of multiple equilibria and/or multiple weather regimes for the extratropical large-scale flow. The importance of the transient waves in the synoptic scales in organizing the large-scale flow and in the maintenance of weather regimes was emphasized. The result shows that multiple equilibria/weather regimes that are present in lower-order models examined disappear when a sufficient number of modes are kept in the spectral expansion of the solution to the governing partial differential equations. Much of the chaotic behavior of the large-scale flow that is present in intermediate-order models is now found to be spurious. Physical reasons for the drastic modification are offered. A peculiarity in the formulation of most existing two-layer models is noted that also tends to exaggerate the importance of baroclinic processes and increase the degree of unpredictability of the large-scale flow.

  19. Lagrangian photochemical modeling studies of the 1987 Antarctic spring vortex. II - Seasonal trends in ozone

    NASA Technical Reports Server (NTRS)

    Austin, J.; Jones, R. L.; Mckenna, D. S.; Buckland, A. T.; Anderson, J. G.; Fahey, D. W.; Farmer, C. B.; Heidt, L. E.; Proffitt, M. H.; Vedder, J. F.

    1989-01-01

    A photochemical model consisting of 40 species and 107 reactions is integrated along 80-day air parcel trajectories calculated in the lower stratosphere for the springtime Antarctic. For the trajectory starting at 58 deg S, which may be regarded as outside the circumpolar vortex, only a small change in O3 occurs in the model. In contrast, for the air parcel starting in the vortex at 74 deg S, the O3 concentration is reduced by 93 percent during the 80 days from the beginning of August to late October. The model results for several species are compared with measurements from the Airborne Antarctic Ozone Experiment and, in general, good agreement is obtained. In the model, the dentrification of the air parcels in polar stratospheric clouds increases the amount of chlorine present in active form. Heterogeneous reactions maintain high active chlorine which destroys O3 via the formation of the ClO dimer. Results of calculations with reduced concentrations of inorganic chlorine show considerably reduced O3 destruction rates and compare favorably with the behavior of total O3 since the late 1970s. The remaining major uncertainties in the photochemical aspects of the Antarctic ozone hole are highlighted.

  20. Impact of caramelization on the glass transition temperature of several caramelized sugars. Part II: Mathematical modeling.

    PubMed

    Jiang, Bin; Liu, Yeting; Bhandari, Bhesh; Zhou, Weibiao

    2008-07-01

    Further to part I of this study, this paper discusses mathematical modeling of the relationship between caramelization of several sugars including fructose, glucose, and sucrose and their glass transition temperatures ( T g). Differential scanning calorimetry (DSC) was used for creating caramelized sugar samples and determining their glass transition temperatures ( T g). UV-vis absorbance measurement and high-performance liquid chromatography (HPLC) analysis were used for quantifying the extent of caramelization. Specifically, absorbances at 284 and 420 nm were obtained from UV-vis measurement, and the contents of sucrose, glucose, fructose, and 5-hydroxymethyl-furfural (HMF) in the caramelized sugars were obtained from HPLC measurements. Results from the UV and HPLC measurements were correlated with the Tg values measured by DSC. By using both linear and nonlinear regressions, two sets of mathematical models were developed for the prediction of Tg values of sugar caramels. The first set utilized information obtained from both UV-vis measurement and HPLC analysis, while the second set utilized only information from the UV-vis measurement, which is much easier to perform in practice. As a caramelization process is typically characterized by two stages, separate models were developed for each of the stages within a set. Furthermore, a third set of nonlinear equations were developed, serving as criteria to decide at which stage a caramelized sample is. The models were evaluated through a validation process. PMID:18553880