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Sample records for tip4p-qdp-lj model predicts

  1. Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model.

    Science.gov (United States)

    Bauer, Brad A; Patel, Sandeep

    2009-08-28

    We present an extension of the TIP4P-QDP model, TIP4P-QDP-LJ, that is designed to couple changes in repulsive and dispersive nonbond interactions to changes in polarizability. Polarizability is intimately related to the dispersion component of classical force field models of interactions, and we explore the effect of incorporating this connection explicitly on properties along the liquid-vapor coexistence curve of pure water. Parametrized to reproduce condensed-phase liquid water properties at 298 K, the TIP4P-QDP-LJ model predicts density, enthalpy of vaporization, self-diffusion constant, and the dielectric constant at ambient conditions to about the same accuracy as TIP4P-QDP but shows remarkable improvement in reproducing the liquid-vapor coexistence curve. TIP4P-QDP-LJ predicts critical constants of T(c)=623 K, rho(c)=0.351 g/cm(3), and P(c)=250.9 atm, which are in good agreement with experimental values of T(c)=647.1 K, rho(c)=0.322 g/cm(3), and P(c)=218 atm, respectively. Applying a scaling factor correction (obtained by fitting the experimental vapor-liquid equilibrium data to the law of rectilinear diameters using a three-term Wegner expansion) the model predicts critical constants (T(c)=631 K and rho(c)=0.308 g/cm(3)). Dependence of enthalpy of vaporization, self-diffusion constant, surface tension, and dielectric constant on temperature are shown to reproduce experimental trends. We also explore the interfacial potential drop across the liquid-vapor interface for the temperatures studied. The interfacial potential demonstrates little temperature dependence at lower temperatures (300-450 K) and significantly enhanced (exponential) dependence at elevated temperatures. Terms arising from the decomposition of the interfacial potential into dipole and quadrupole contributions are shown to monotonically approach zero as the temperature approaches the critical temperature. Results of this study suggest that self-consistently treating the coupling of phase

  2. Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.

    Science.gov (United States)

    Bauer, Brad A; Warren, G Lee; Patel, Sandeep

    2009-02-10

    We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.(1) that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å(3) and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm(3) at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are

  3. Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface

    Science.gov (United States)

    Bauer, Brad A.; Warren, G. Lee; Patel, Sandeep

    2012-01-01

    We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.1 that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å3 and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm3 at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are

  4. Homogeneous nucleation of water in argon. Nucleation rate computation from molecular simulations of TIP4P and TIP4P/2005 water model.

    Science.gov (United States)

    Dumitrescu, Lucia R; Smeulders, David M J; Dam, Jacques A M; Gaastra-Nedea, Silvia V

    2017-02-28

    Molecular dynamics (MD) simulations were conducted to study nucleation of water at 350 K in argon using TIP4P and TIP4P/2005 water models. We found that the stability of any cluster, even if large, strongly depends on the energetic interactions with its vicinity, while the stable clusters change their composition almost entirely during nucleation. Using the threshold method, direct nucleation rates are obtained. Our nucleation rates are found to be 1.08×10 27 cm -3 s -1 for TIP4P and 2.30×10 27 cm -3 s -1 for TIP4P/2005. The latter model prescribes a faster dynamics than the former, with a nucleation rate two times larger due to its higher electrostatic charges. The non-equilibrium water densities derived from simulations and state-of-art equilibrium parameters from Vega and de Miguel [J. Chem. Phys. 126, 154707 (2007)] are used for the classical nucleation theory (CNT) prediction. The CNT overestimates our results for both water models, where TIP4P/2005 shows largest discrepancy. Our results complement earlier data at high nucleation rates and supersaturations in the Hale plot [Phys. Rev. A 33, 4156 (1986)], and are consistent with MD data on the SPC/E and the TIP4P/2005 model.

  5. Microstructure and mechanical properties of a medium-carbon bainitic steel by a novel quenching and dynamic partitioning (Q-DP) process

    Energy Technology Data Exchange (ETDEWEB)

    Li, Qiangguo; Huang, Xuefei; Huang, Weigang, E-mail: huangwg56@163.com

    2016-04-26

    A novel Quenching and Dynamic Partitioning (Q-DP) process for a 0.3C-1.4Si-1.8Mn-1.3Cr-0.3Mo (wt%) bainitic steel was developed and the microstructure and mechanical properties were investigated. The results show that the microstructure of the Q-DP treated steel consists of bainite, martensite and retained austenite, and it exhibit a better combination of tensile strength (above 1500 MPa), total elongation (above 17%) and impact toughness (above 90 J). Among the different Q-DP process, the sample treated by 250 °C Q-DP process exhibits the best combination of strength (1519 MPa), ductility (21.3%), the product of strength and elongation (PSE, 32.4 GPa%) and maximum impact toughness (108 J) compared to the quenching and partitioning (Q&P) process and other Q-DP processes. In addition, the work hardening behaviors of the Q&P and Q-DP samples were investigated. The stress-strain curves show that the Q&P and 250 °C Q-DP treated samples exhibit the larger uniform elongation and the value of n calculated for samples is 0.109 and 0.101 respectively.

  6. Homogeneous nucleation of water in argon : nucleation rate computation from molecular simulations of TIP4P and TIP4P/2005 water model

    NARCIS (Netherlands)

    Dumitrescu, Lucia R.; Smeulders, David M.J.; Dam, Jacques A.M.; Gaastra-Nedea, Silvia V.

    2017-01-01

    Molecular dynamics (MD) simulations were conducted to study nucleation of water at 350 K in argon using TIP4P and TIP4P/2005 water models. We found that the stability of any cluster, even if large, strongly depends on the energetic interactions with its vicinity, while the stable clusters change

  7. Potential energy landscape of TIP4P/2005 water

    Science.gov (United States)

    Handle, Philip H.; Sciortino, Francesco

    2018-04-01

    We report a numerical study of the statistical properties of the potential energy landscape of TIP4P/2005, one of the most accurate rigid water models. We show that, in the region where equilibrated configurations can be generated, a Gaussian landscape description is able to properly describe the model properties. We also find that the volume dependence of the landscape properties is consistent with the existence of a locus of density maxima in the phase diagram. The landscape-based equation of state accurately reproduces the TIP4P/2005 pressure-vs-volume curves, providing a sound extrapolation of the free-energy at low T. A positive-pressure liquid-liquid critical point is predicted by the resulting free-energy.

  8. Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model

    Science.gov (United States)

    Wong, Jessina; Jahn, David A.; Giovambattista, Nicolas

    2015-08-01

    We study the pressure-induced transformations between low-density amorphous (LDA) and high-density amorphous (HDA) ice by performing out-of-equilibrium molecular dynamics (MD) simulations. We employ the TIP4P/2005 water model and show that this model reproduces qualitatively the LDA-HDA transformations observed experimentally. Specifically, the TIP4P/2005 model reproduces remarkably well the (i) structure (OO, OH, and HH radial distribution functions) and (ii) densities of LDA and HDA at P = 0.1 MPa and T = 80 K, as well as (iii) the qualitative behavior of ρ(P) during compression-induced LDA-to-HDA and decompression-induced HDA-to-LDA transformations. At the rates explored, the HDA-to-LDA transformation is less pronounced than in experiments. By studying the LDA-HDA transformations for a broad range of compression/decompression temperatures, we construct a "P-T phase diagram" for glassy water that is consistent with experiments and remarkably similar to that reported previously for ST2 water. This phase diagram is not inconsistent with the possibility of TIP4P/2005 water exhibiting a liquid-liquid phase transition at low temperatures. A comparison with previous MD simulation studies of SPC/E and ST2 water as well as experiments indicates that, overall, the TIP4P/2005 model performs better than the SPC/E and ST2 models. The effects of cooling and compression rates as well as aging on our MD simulations results are also discussed. The MD results are qualitatively robust under variations of cooling/compression rates (accessible in simulations) and are not affected by aging the hyperquenched glass for at least 1 μs. A byproduct of this work is the calculation of TIP4P/2005 water's diffusion coefficient D(T) at P = 0.1 MPa. It is found that, for T ≥ 210 K, D(T) ≈ (T - TMCT)-γ as predicted by mode coupling theory and in agreement with experiments. For TIP4P/2005 water, TMCT = 209 K and γ = 2.14, very close to the corresponding experimental values TMCT = 221 K

  9. Characterization of the TIP4P-Ew water model: vapor pressure and boiling point.

    Science.gov (United States)

    Horn, Hans W; Swope, William C; Pitera, Jed W

    2005-11-15

    The liquid-vapor-phase equilibrium properties of the previously developed TIP4P-Ew water model have been studied using thermodynamic integration free-energy simulation techniques in the temperature range of 274-400 K. We stress that free-energy results from simulations need to be corrected in order to be compared to the experiment. This is due to the fact that the thermodynamic end states accessible through simulations correspond to fictitious substances (classical rigid liquids and classical rigid ideal gases) while experiments operate on real substances (liquids and real gases, with quantum effects). After applying analytical corrections the vapor pressure curve obtained from simulated free-energy changes is in excellent agreement with the experimental vapor pressure curve. The boiling point of TIP4P-Ew water under ambient pressure is found to be at 370.3+/-1.9 K, about 7 K higher than the boiling point of TIP4P water (363.7+/-5.1 K; from simulations that employ finite range treatment of electrostatic and Lennard-Jones interactions). This is in contrast to the approximately +15 K by which the temperature of the density maximum and the melting temperature of TIP4P-Ew are shifted relative to TIP4P, indicating that the temperature range over which the liquid phase of TIP4P-Ew is stable is narrower than that of TIP4P and resembles more that of real water. The quality of the vapor pressure results highlights the success of TIP4P-Ew in describing the energetic and entropic aspects of intermolecular interactions in liquid water.

  10. Structure and dynamics of TIP3P, TIP4P, and TIP5P water near smooth and atomistic walls of different hydroaffinity

    International Nuclear Information System (INIS)

    Harrach, Michael F.; Drossel, Barbara

    2014-01-01

    We perform molecular dynamics simulations to observe the structure and dynamics of water using different water models (TIP3P, TIP4P, TIP5P) at ambient conditions, constrained by planar walls, which are either modeled by smooth potentials or regular atomic lattices, imitating the honeycomb-structure of graphene. We implement walls of different hydroaffinity, different lattice constant, and different types of interaction with the water molecules. We find that in the hydrophobic regime the smooth wall generally represents a good abstraction of the atomically rough walls, while in the hydrophilic regime there are noticeable differences in structure and dynamics between all stages of wall roughness. For a small lattice constant however the smooth and the atomically rough wall still share a number of structural and dynamical similarities. Out of the three water models, TIP5P water shows the largest degree of tetrahedral ordering and is often the one that is least perturbed by the presence of the wall

  11. QDP-JIT/PTX: A QDP++ Implementation for CUDA-Enabled GPUs

    Energy Technology Data Exchange (ETDEWEB)

    Winter, Frank T. [JLAB; Edwards, Robert G. [JLAB

    2014-11-01

    These proceedings describe briefly the QDP-JIT/PTX framework for lattice field theory calcula- tions on the CUDA architecture. The framework generates compute kernels in the PTX assembler language which can be compiled to efficient GPU machine code by the NVIDIA JIT compiler. A comprehensive memory management was added to the framework so that applications, e.g. Chroma, can run unaltered on GPU clusters and supercomputers.

  12. The QDP/PLT user's guide

    Science.gov (United States)

    Tennant, Allyn F.

    1991-01-01

    PLT is a high level plotting package. A Programmer can create a default plot suited for the data being displayed. At run times, users can then interact with the plot overriding any or all of these defaults. The user is also provided the capability to fit functions to the displayed data. This ability to display, interact with, and to fit the data make PLT a useful tool in the analysis of data. The Quick and Dandy Plotter (QDP) program will read ASCII text files that contain PLT commands and data. Thus, QDP provides and easy way to use the PLT software QPD files provide a convenient way to exchange data. The QPD/PLT software is written in standard FORTRAN 77 and has been ported to VAX VMS, SUN UNIX, IBM AIX, NeXT NextStep, and MS-DOS systems.

  13. QDP++: Data Parallel Interface for QCD

    Energy Technology Data Exchange (ETDEWEB)

    Robert Edwards

    2003-03-01

    This is a user's guide for the C++ binding for the QDP Data Parallel Applications Programmer Interface developed under the auspices of the US Department of Energy Scientific Discovery through Advanced Computing (SciDAC) program. The QDP Level 2 API has the following features: (1) Provides data parallel operations (logically SIMD) on all sites across the lattice or subsets of these sites. (2) Operates on lattice objects, which have an implementation-dependent data layout that is not visible above this API. (3) Hides details of how the implementation maps onto a given architecture, namely how the logical problem grid (i.el lattice) is mapped onto the machine architecture. (4) Allows asynchronous (non-blocking) shifts of lattice level objects over any permutation map of site sonto sites. However, from the user's view these instructions appear blocking and in fact may be so in some implementation. (5) Provides broadcast operations (filling a lattice quantity from a scalar value(s)), global reduction operations, and lattice-wide operations on various data-type primitives, such as matrices, vectors, and tensor products of matrices (propagators). (6) Operator syntax that support complex expression constructions.

  14. A potential model for sodium chloride solutions based on the TIP4P/2005 water model

    Science.gov (United States)

    Benavides, A. L.; Portillo, M. A.; Chamorro, V. C.; Espinosa, J. R.; Abascal, J. L. F.; Vega, C.

    2017-09-01

    Despite considerable efforts over more than two decades, our knowledge of the interactions in electrolyte solutions is not yet satisfactory. Not even one of the most simple and important aqueous solutions, NaCl(aq), escapes this assertion. A requisite for the development of a force field for any water solution is the availability of a good model for water. Despite the fact that TIP4P/2005 seems to fulfill the requirement, little work has been devoted to build a force field based on TIP4P/2005. In this work, we try to fill this gap for NaCl(aq). After unsuccessful attempts to produce accurate predictions for a wide range of properties using unity ionic charges, we decided to follow recent suggestions indicating that the charges should be scaled in the ionic solution. In this way, we have been able to develop a satisfactory non-polarizable force field for NaCl(aq). We evaluate a number of thermodynamic properties of the solution (equation of state, maximum in density, enthalpies of solution, activity coefficients, radial distribution functions, solubility, surface tension, diffusion coefficients, and viscosity). Overall the results for the solution are very good. An important achievement of our model is that it also accounts for the dynamical properties of the solution, a test for which the force fields so far proposed failed. The same is true for the solubility and for the maximum in density where the model describes the experimental results almost quantitatively. The price to pay is that the model is not so good at describing NaCl in the solid phase, although the results for several properties (density and melting temperature) are still acceptable. We conclude that the scaling of the charges improves the overall description of NaCl aqueous solutions when the polarization is not included.

  15. A Four-Site Molecular Model for Simulations of Liquid Methanol and Water-Methanol Mixtures: MeOH-4P.

    Science.gov (United States)

    Martínez-Jiménez, Manuel; Saint-Martin, Humberto

    2018-04-17

    In this work, we present a new four-site potential for methanol, MeOH-4P, fitted to reproduce the dielectric constant ε, the surface tension γ s , and the liquid density ρ of the pure liquid at T = 298.15 K and p = 1 bar. The partial charges on each site were taken from the OPLS/2016 model with the only difference of putting the negative charge on the fourth site ( M) instead of on the O atom, as done in four-site water models. The original Lennard-Jones (LJ) parameters of OPLS/2016 for the methyl moiety (Me) were modified for the fitting of ρ and γ s , whereas the parameters of the TIP4P-FB water model were used for the O atom without change. Taking into account the energetic cost of the enhanced dipole relative to the isolated molecule, the results from simulations with this model showed good agreement with experiments for ρ, α p , κ T , C p , and Δ H v- l . Also, the temperature dependence of γ s and ε is satisfactory in the interval between 260 and 360 K, and the critical point description is similar to that of OPLS/2016. It is shown that orientational correlations, described by the Kirkwood factor G k , play a prominent role in the appropriate description of dielectric constants in existing models; unfortunately, the enhancement of the dipole moment produced a low diffusion coefficient D MeOH ; thus, a compromise was required between a good reproduction of ε and an acceptable D MeOH . The use of a fourth site resulted in a significant improvement for water-methanol mixtures described with TIP4P-FB and MeOH-4P, respectively, but required the modification of the LJ geometric combination rule to allow a good description of the methanol molar-fraction dependence of ρ, ε, and methanol (water) diffusion coefficients D MeOH ( D H 2 O ) and excess volume of mixing Δ V mix in the entire range of composition. The resulting free energy of hydration Δ G hyd shows excellent agreement with experiments in the interval between 280 and 360 K.

  16. A Dicarboxylate Transporter, LjALMT4, Mainly Expressed in Nodules of Lotus japonicus.

    Science.gov (United States)

    Takanashi, Kojiro; Sasaki, Takayuki; Kan, Tomohiro; Saida, Yuka; Sugiyama, Akifumi; Yamamoto, Yoko; Yazaki, Kazufumi

    2016-07-01

    Legume plants can establish symbiosis with soil bacteria called rhizobia to obtain nitrogen as a nutrient directly from atmospheric N2 via symbiotic nitrogen fixation. Legumes and rhizobia form nodules, symbiotic organs in which fixed-nitrogen and photosynthetic products are exchanged between rhizobia and plant cells. The photosynthetic products supplied to rhizobia are thought to be dicarboxylates but little is known about the movement of dicarboxylates in the nodules. In terms of dicarboxylate transporters, an aluminum-activated malate transporter (ALMT) family is a strong candidate responsible for the membrane transport of carboxylates in nodules. Among the seven ALMT genes in the Lotus japonicus genome, only one, LjALMT4, shows a high expression in the nodules. LjALMT4 showed transport activity in a Xenopus oocyte system, with LjALMT4 mediating the efflux of dicarboxylates including malate, succinate, and fumarate, but not tricarboxylates such as citrate. LjALMT4 also mediated the influx of several inorganic anions. Organ-specific gene expression analysis showed LjALMT4 mRNA mainly in the parenchyma cells of nodule vascular bundles. These results suggest that LjALMT4 may not be involved in the direct supply of dicarboxylates to rhizobia in infected cells but is responsible for supplying malate as well as several anions necessary for symbiotic nitrogen fixation, via nodule vasculatures.

  17. Modeling shoot-tip temperature in the greenhouse environment

    International Nuclear Information System (INIS)

    Faust, J.E.; Heins, R.D.

    1998-01-01

    An energy-balance model is described that predicts vinca (Catharanthus roseus L.) shoot-tip temperature using four environmental measurements: solar radiation and dry bulb, wet bulb, and glazing material temperature. The time and magnitude of the differences between shoot-tip and air temperature were determined in greenhouses maintained at air temperatures of 15, 20, 25, 30, or 35 °C. At night, shoot-tip temperature was always below air temperature. Shoot-tip temperature decreased from 0.5 to 5 °C below air temperature as greenhouse glass temperature decreased from 2 to 15 °C below air temperature. During the photoperiod under low vapor-pressure deficit (VPD) and low air temperature, shoot-tip temperature increased ≈4 °C as solar radiation increased from 0 to 600 W·m -2 . Under high VPD and high air temperature, shoot-tip temperature initially decreased 1 to 2 °C at sunrise, then increased later in the morning as solar radiation increased. The model predicted shoot-tip temperatures within ±1 °C of 81% of the observed 1-hour average shoot-tip temperatures. The model was used to simulate shoot-tip temperatures under different VPD, solar radiation, and air temperatures. Since the rate of leaf and flower development are influenced by the temperature of the meristematic tissues, a model of shoot-tip temperature will be a valuable tool to predict plant development in greenhouses and to control the greenhouse environment based on a plant temperature setpoint. (author)

  18. New tips for structure prediction by comparative modeling

    Science.gov (United States)

    Rayan, Anwar

    2009-01-01

    Comparative modelling is utilized to predict the 3-dimensional conformation of a given protein (target) based on its sequence alignment to experimentally determined protein structure (template). The use of such technique is already rewarding and increasingly widespread in biological research and drug development. The accuracy of the predictions as commonly accepted depends on the score of sequence identity of the target protein to the template. To assess the relationship between sequence identity and model quality, we carried out an analysis of a set of 4753 sequence and structure alignments. Throughout this research, the model accuracy was measured by root mean square deviations of Cα atoms of the target-template structures. Surprisingly, the results show that sequence identity of the target protein to the template is not a good descriptor to predict the accuracy of the 3-D structure model. However, in a large number of cases, comparative modelling with lower sequence identity of target to template proteins led to more accurate 3-D structure model. As a consequence of this study, we suggest new tips for improving the quality of omparative models, particularly for models whose target-template sequence identity is below 50%. PMID:19255646

  19. A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model

    Energy Technology Data Exchange (ETDEWEB)

    González, Miguel A. [Departamento Química Física I, Facultad Ciencias Químicas, Universidad Complutense de Madrid, 28040 Madrid (Spain); Department of Chemistry, Imperial College London, London SW7 2AZ (United Kingdom); Valeriani, Chantal [Departamento Química Física I, Facultad Ciencias Químicas, Universidad Complutense de Madrid, 28040 Madrid (Spain); Departamento Física Aplicada I, Facultad Ciencias Físicas, Universidad Complutense de Madrid, 28040 Madrid (Spain); Caupin, Frédéric [Institut Lumière Matière, UMR5306 Université Claude Bernard Lyon 1-CNRS, Université de Lyon, 69622 Villeurbanne Cedex (France); Abascal, José L. F. [Departamento Química Física I, Facultad Ciencias Químicas, Universidad Complutense de Madrid, 28040 Madrid (Spain)

    2016-08-07

    The striking behavior of water has deserved it to be referred to as an “anomalous” liquid. The water anomalies are greatly amplified in metastable (supercooled and/or stretched) regions. This makes difficult a complete experimental description since, beyond certain limits, the metastable phase necessarily transforms into the stable one. Theoretical interpretation of the water anomalies could then be based on simulation results of well validated water models. But the analysis of the simulations has not yet reached a consensus. In particular, one of the most popular theoretical scenarios—involving the existence of a liquid-liquid critical point (LLCP)—is disputed by several authors. In this work, we propose to use a number of exact thermodynamic relations which may shed light on this issue. Interestingly, these relations may be tested in a region of the phase diagram which is outside the LLCP thus avoiding the problems associated to the coexistence region. The central property connected to other water anomalies is the locus of temperatures at which the density along isobars attain a maximum (TMD line) or a minimum (TmD). We have performed computer simulations to evaluate the TMD and TmD for a successful water model, namely, TIP4P/2005. We have also evaluated the vapor-liquid (VL) spinodal in the region of large negative pressures. The shape of these curves and their connection to the extrema of some response functions, in particular the isothermal compressibility and heat capacity at constant pressure, provides very useful information which may help to elucidate the validity of the theoretical proposals. In this way, we are able to present for the first time a comprehensive scenario of the thermodynamic water anomalies for TIP4P/2005 and their relation to the vapor-liquid spinodal. The overall picture shows a remarkable similarity with the corresponding one for the ST2 water model, for which the existence of a LLCP has been demonstrated in recent years. It

  20. Monte Carlo thermodynamic and structural properties of the TIP4P water model: dependence on the computational conditions

    Directory of Open Access Journals (Sweden)

    João Manuel Marques Cordeiro

    1998-11-01

    Full Text Available Classical Monte Carlo simulations were carried out on the NPT ensemble at 25°C and 1 atm, aiming to investigate the ability of the TIP4P water model [Jorgensen, Chandrasekhar, Madura, Impey and Klein; J. Chem. Phys., 79 (1983 926] to reproduce the newest structural picture of liquid water. The results were compared with recent neutron diffraction data [Soper; Bruni and Ricci; J. Chem. Phys., 106 (1997 247]. The influence of the computational conditions on the thermodynamic and structural results obtained with this model was also analyzed. The findings were compared with the original ones from Jorgensen et al [above-cited reference plus Mol. Phys., 56 (1985 1381]. It is notice that the thermodynamic results are dependent on the boundary conditions used, whereas the usual radial distribution functions g(O/O(r and g(O/H(r do not depend on them.

  1. Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model

    Science.gov (United States)

    Engstler, Justin; Giovambattista, Nicolas

    2017-08-01

    We characterize the phase behavior of glassy water by performing extensive out-of-equilibrium molecular dynamics simulations using the TIP4P/2005 water model. Specifically, we study (i) the pressure-induced transformations between low-density (LDA) and high-density amorphous ice (HDA), (ii) the pressure-induced amorphization (PIA) of hexagonal ice (Ih), (iii) the heating-induced LDA-to-HDA transformation at high pressures, (iv) the heating-induced HDA-to-LDA transformation at low and negative pressures, (v) the glass transition temperatures of LDA and HDA as a function of pressure, and (vi) the limit of stability of LDA upon isobaric heating and isothermal decompression (at negative pressures). These transformations are studied systematically, over a wide range of temperatures and pressures, allowing us to construct a P-T phase diagram for glassy TIP4P/2005 water. Our results are in qualitative agreement with experimental observations and with the P-T phase diagram obtained for glassy ST2 water that exhibits a liquid-liquid phase transition and critical point. We also discuss the mechanism for PIA of ice Ih and show that this is a two-step process where first, the hydrogen-bond network (HBN) is distorted and then the HBN abruptly collapses. Remarkably, the collapse of the HB in ice Ih occurs when the average molecular orientations order, a measure of the tetrahedrality of the HBN, is of the same order as in LDA, suggesting a common mechanism for the LDA-to-HDA and Ih-to-HDA transformations.

  2. A quantitative prediction model of SCC rate for nuclear structure materials in high temperature water based on crack tip creep strain rate

    International Nuclear Information System (INIS)

    Yang, F.Q.; Xue, H.; Zhao, L.Y.; Fang, X.R.

    2014-01-01

    Highlights: • Creep is considered to be the primary mechanical factor of crack tip film degradation. • The prediction model of SCC rate is based on crack tip creep strain rate. • The SCC rate calculated at the secondary stage of creep is recommended. • The effect of stress intensity factor on SCC growth rate is discussed. - Abstract: The quantitative prediction of stress corrosion cracking (SCC) of structure materials is essential in safety assessment of nuclear power plants. A new quantitative prediction model is proposed by combining the Ford–Andresen model, a crack tip creep model and an elastic–plastic finite element method. The creep at the crack tip is considered to be the primary mechanical factor of protective film degradation, and the creep strain rate at the crack tip is suggested as primary mechanical factor in predicting the SCC rate. The SCC rates at secondary stage of creep are recommended when using the approach introduced in this study to predict the SCC rates of materials in high temperature water. The proposed approach can be used to understand the SCC crack growth in structural materials of light water reactors

  3. Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Rakesh S.; Debenedetti, Pablo G. [Department of Chemical & Biological Engineering, Princeton University, Princeton, New Jersey 08544 (United States); Biddle, John W.; Anisimov, Mikhail A., E-mail: anisimov@umd.edu [Institute of Physical Science and Technology and Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, Maryland 20742 (United States)

    2016-04-14

    Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two (high and low density) forms of water. While the anomalies are observed in experiments on bulk and confined water and by computer simulation studies of different water-like models, the existence of a LLPT in water is still debated. Unambiguous experimental proof of the existence of a LLPT in bulk supercooled water is hampered by fast ice nucleation which is a precursor of the hypothesized LLPT. Moreover, the hypothesized LLPT, being metastable, in principle cannot exist in the thermodynamic limit (infinite size, infinite time). Therefore, computer simulations of water models are crucial for exploring the possibility of the metastable LLPT and the nature of the anomalies. In this work, we present new simulation results in the NVT ensemble for one of the most accurate classical molecular models of water, TIP4P/2005. To describe the computed properties and explore the possibility of a LLPT, we have applied two-structure thermodynamics, viewing water as a non-ideal mixture of two interconvertible local structures (“states”). The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales. We have compared the behavior of TIP4P/2005 with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. In view of the current debate involving different studies of TIP4P/2005, we discuss consequences of metastability and finite size in observing the liquid-liquid separation. We also address the relationship between the phenomenological order parameter of two-structure thermodynamics and the microscopic nature of the low-density structure.

  4. Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water

    International Nuclear Information System (INIS)

    Singh, Rakesh S.; Debenedetti, Pablo G.; Biddle, John W.; Anisimov, Mikhail A.

    2016-01-01

    Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two (high and low density) forms of water. While the anomalies are observed in experiments on bulk and confined water and by computer simulation studies of different water-like models, the existence of a LLPT in water is still debated. Unambiguous experimental proof of the existence of a LLPT in bulk supercooled water is hampered by fast ice nucleation which is a precursor of the hypothesized LLPT. Moreover, the hypothesized LLPT, being metastable, in principle cannot exist in the thermodynamic limit (infinite size, infinite time). Therefore, computer simulations of water models are crucial for exploring the possibility of the metastable LLPT and the nature of the anomalies. In this work, we present new simulation results in the NVT ensemble for one of the most accurate classical molecular models of water, TIP4P/2005. To describe the computed properties and explore the possibility of a LLPT, we have applied two-structure thermodynamics, viewing water as a non-ideal mixture of two interconvertible local structures (“states”). The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales. We have compared the behavior of TIP4P/2005 with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. In view of the current debate involving different studies of TIP4P/2005, we discuss consequences of metastability and finite size in observing the liquid-liquid separation. We also address the relationship between the phenomenological order parameter of two-structure thermodynamics and the microscopic nature of the low-density structure.

  5. The anti-tumor effects of the recombinant toxin protein rLj-RGD3 from Lampetra japonica on pancreatic carcinoma Panc-1 cells in nude mice.

    Science.gov (United States)

    Wang, Yue; Zheng, Yuanyuan; Tu, Zuoyu; Dai, Yongguo; Xu, Hong; Lv, Li; Wang, Jihong

    2017-02-01

    Recombinant Lampetra japonica RGD peptide (rLj-RGD3) is a soluble toxin protein with three RGD (Arg-Gly-Asp) motifs and a molecular weight of 13.5kDa. The aim of this study was to investigate the effects and mechanisms of rLj-RGD3 on tumor growth and survival in pancreatic carcinoma Panc-1 cell-bearing mice. A Panc-1 human pancreatic carcinoma-bearing nude mouse model was successfully generated, and the animals were treated with different doses of rLj-RGD3 for 3 weeks. The volume and weight of the subcutaneous tumors, the survival of the nude mice, histopathological changes, the intratumoral MVD, the number of apoptotic Panc-1 cells, and apoptosis-related proteins and gene expressions were determined. rLj-RGD3 significantly decreased the tumor volumes and weights, and the maximum tumor volume and weight IR values were 53.2% (pPanc-1-bearing nude mice treated with rLj-RGD3 was increased by 56.3% (pPanc-1 cells in a nude mouse model, implying that rLj-RGD3 may serve as a potent clinical therapeutic agent for human pancreatic carcinoma. Copyright © 2016 Elsevier Inc. All rights reserved.

  6. High-temperature dynamic behavior in bulk liquid water: A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials

    Science.gov (United States)

    Gabrieli, Andrea; Sant, Marco; Izadi, Saeed; Shabane, Parviz Seifpanahi; Onufriev, Alexey V.; Suffritti, Giuseppe B.

    2018-02-01

    Classical molecular dynamics simulations were performed to study the high-temperature (above 300 K) dynamic behavior of bulk water, specifically the behavior of the diffusion coefficient, hydrogen bond, and nearest-neighbor lifetimes. Two water potentials were compared: the recently proposed "globally optimal" point charge (OPC) model and the well-known TIP4P-Ew model. By considering the Arrhenius plots of the computed inverse diffusion coefficient and rotational relaxation constants, a crossover from Vogel-Fulcher-Tammann behavior to a linear trend with increasing temperature was detected at T* ≈ 309 and T* ≈ 285 K for the OPC and TIP4P-Ew models, respectively. Experimentally, the crossover point was previously observed at T* ± 315-5 K. We also verified that for the coefficient of thermal expansion α P ( T, P), the isobaric α P ( T) curves cross at about the same T* as in the experiment. The lifetimes of water hydrogen bonds and of the nearest neighbors were evaluated and were found to cross near T*, where the lifetimes are about 1 ps. For T T*, water behaves more like a simple liquid. The fact that T* falls within the biologically relevant temperature range is a strong motivation for further analysis of the phenomenon and its possible consequences for biomolecular systems.

  7. Tip model of cold fission

    International Nuclear Information System (INIS)

    Goennenwein, F.; Boersig, B.

    1991-01-01

    Cold fission is defined to be the limiting case of nuclear fission where virtually all of the available energy is converted into the total kinetic energy of the fragments. The fragments have, therefore, to be born in or at least close to their respective ground states. Starting from the viewpoint that cold fission corresponds to most compact scission configurations, energy constraints have been exploited to calculate minimum tip distances between the two nascent fragments in binary fission. Crucial input parameters to this tip model of cold fission are the ground-state deformations of fragment nuclei. It is shown that the minimum tip distances being compatible with energy conservation vary strongly with both the mass and charge fragmentation of the fission prone nucleus. The tip distances refer to nuclei with equivalent sharp surfaces. In keeping with the size of the surface width of leptodermous nuclei, only configurations where the tip distances are smaller than a few fm may be considered as valid scission configurations. From a comparison with experimental data on cold fission this critical tip distance appears to be 3.0 fm for the model parameters chosen. Whenever the model calculation yields tip distances being smaller than the critical value, a necessary condition for attaining cold fission is considered to be fulfilled. It is shown that this criterion allows to understand in fair agreement with experiment which mass fragmentations are susceptible to lead to cold fission and which fragment-charge divisions are the most favored in each isobaric mass chain. Being based merely on energy arguments, the model cannot aim at predicting fragment yields in cold fission. However, the tip model proposed appears well suited to delineate the phase space where cold fission phenomena may come into sight. (orig.)

  8. L-J phase in a Cu2.2Mn0.8Al alloy

    Science.gov (United States)

    Jeng, S. C.; Liu, T. F.

    1995-06-01

    A new type of precipitate (designated L-J phase) with two variants was observed within the (DO3 + L21) matrix in a Cu2.2Mn0.8Al alloy. Transmission electron microscopy examinations indicated that the L-J phase has an orthorhombic structure with lattice parameters a = 0.413 nm, b = 0.254 nm and c = 0.728 nm. The orientation relationship between the L-J phase and the matrix is (100)L-J//(011) m , (010)L-J//(111) m and (001)L-J//(211) m . The rotation axis and rotation angle between two variants of the L-J phase are [021] and 90 deg. The L-J phase has never been observed in various Cu-Al, Cu-Mn, and Cu-Al-Mn alloy systems before.

  9. Tip studies using CFD and comparison with tip loss models

    DEFF Research Database (Denmark)

    Hansen, Martin Otto Laver; Johansen, J.

    2004-01-01

    The flow past a rotating LM8.2 blade equipped with two different tips are computed using CFD. The different tip flows are analysed and a comparison with two different tip loss models is made. Keywords: tip flow, aerodynamics, CFD......The flow past a rotating LM8.2 blade equipped with two different tips are computed using CFD. The different tip flows are analysed and a comparison with two different tip loss models is made. Keywords: tip flow, aerodynamics, CFD...

  10. 77 FR 5990 - Special Conditions: Learjet Inc., Model LJ-200-1A10 Airplane, Pilot-Compartment View Through...

    Science.gov (United States)

    2012-02-07

    ..., and the FAA must issue a finding of regulatory adequacy pursuant to Sec. 611 of Public Law 92-574, the ``Noise Control Act of 1972.'' The FAA issues special conditions, as defined in 14 CFR 11.19, in... novel or unusual design features: The Model LJ-200-1A10 airplane flight deck design incorporates a...

  11. Biocontrol agent Bacillus amyloliquefaciens LJ02 induces systemic resistance against cucurbits powdery mildew.

    Science.gov (United States)

    Li, Yunlong; Gu, Yilin; Li, Juan; Xu, Mingzhu; Wei, Qing; Wang, Yuanhong

    2015-01-01

    Powdery mildew is a fungal disease found in a wide range of plants and can significantly reduce crop yields. Bacterial strain LJ02 is a biocontrol agent (BCA) isolated from a greenhouse in Tianjin, China. In combination of morphological, physiological, biochemical and phylogenetic analyses, strain LJ02 was classified as a new member of Bacillus amyloliquefaciens. Greenhouse trials showed that LJ02 fermentation broth (LJ02FB) can effectively diminish the occurrence of cucurbits powdery mildew. When treated with LJ02FB, cucumber seedlings produced significantly elevated production of superoxide dismutase, peroxidase, polyphenol oxidase and phenylalanine ammonia lyase as compared to that of the control. We further confirmed that the production of free salicylic acid (SA) and expression of one pathogenesis-related (PR) gene PR-1 in cucumber leaves were markedly elevated after treating with LJ02FB, suggesting that SA-mediated defense response was stimulated. Moreover, LJ02FB-treated cucumber leaves could secrete resistance-related substances into rhizosphere that inhibit the germination of fungi spores and the growth of pathogens. Finally, we separated bacterium and its fermented substances to test their respective effects and found that both components have SA-inducing activity and bacterium plays major roles. Altogether, we identified a BCA against powdery mildew and its mode of action by inducing systemic resistance such as SA signaling pathway.

  12. Phacoemulsification tip vacuum pressure: Comparison of 4 devices.

    Science.gov (United States)

    Payne, Marielle; Georgescu, Dan; Waite, Aaron N; Olson, Randall J

    2006-08-01

    To determine the vacuum pressure generated by 4 phacoemulsification devices measured at the phacoemulsification tip. University ophthalmology department. The effective vacuum pressures generated by the Sovereign (AMO), Millennium (Bausch & Lomb), Legacy AdvanTec (Alcon Laboratories), and Infiniti (Alcon Laboratories) phacoemulsification machines were measured with a device that isolated the phacoemulsification tip in a chamber connected to a pressure gauge. The 4 machines were tested at multiple vacuum limit settings, and the values were recorded after the foot pedal was fully depressed and the pressure had stabilized. The AdvanTec and Infiniti machines were tested with and without occlusion of the Aspiration Bypass System (ABS) side port (Alcon Laboratories). The Millennium machine was tested using venturi and peristaltic pumps. The machines generated pressures close to the expected at maximum vacuum settings between 100 mm Hg and 500 mm Hg with few intermachine variations. There was no significant difference between pressures generated using 19- or 20-gauge tips (Millennium and Sovereign). The addition of an ABS side port decreased vacuum by a mean of 12.1% (P < .0001). Although there were some variations in vacuum pressures among phacoemulsification machines, particularly when an aspiration bypass tip was used, these discrepancies are probably not clinically significant.

  13. [Chinese constitution research and the practice of 4P medical model].

    Science.gov (United States)

    Wang, Ji; Wang, Qi

    2012-05-01

    The aim of modern medicine is transforming from disease to health. Thus the medical model of 4P was proposed in recent years. 4P includes preventive, predictive, personalized, and participatory medical model. In constitution theory of Chinese medicine, there are three main ideas. The first one is: constitutions can be divided to nine types in the Chinese population. Prevention and treatment of disease can be divided according to the constitutional type. This reflects personalized or individualized of 4P. The second one is: certain constitution is correlated to certain disease. So constitution differentiation can be used to predict the occurrence of any kind disease. The third one is: Disease can be prevented through regulating correlated constitutions. And during the course of constitution differentiation, the object of service or patients can participate in the whole course. In summary, the research of Chinese medical constitution embodies the application and practice of 4P medical model. And it provided reference for studying and developing other subjects under the present medical model.

  14. Physiological effects of the form of nitrogen on corn root tips: a 31P nuclear magnetic resonance study

    International Nuclear Information System (INIS)

    Andrade, F.H.; Anderson, I.C.

    1986-01-01

    Physiological effects of different N forms (NO − 3 , NH + 4 , or a combination of both) on corn (Zea mays L.) root tips and leaves were studied by following 31 P signals with a nuclear magnetic resonance spectrometer. With root tips, both cytoplasmic and vacuolar pH could be measured, whereas with leaves, only vacuolar pH could be determined. The N treatments did not affect the cytoplasmic pH of corn root tips in contrast to proposals of previous workers. Leaf vacuolar pH was higher and root tip vacuolar pH lower with NO − 3 than with NH + 4 . Under anaerobic conditions, cytoplasmic pH was reduced because of lactic acid fermentation. Nitrate, an electron acceptor, delayed the acidification of the cytoplasm compartment because it represents an alternative way to reoxidize NADH. In conclusion, for the conditions of these experiments, the pH of the cytoplasm of corn root tips was not modified by the form of N absorbed; however, the pH of this compartment was affected by the form of N presented during development anaerobiosi. (author)

  15. A Mechanism-Based Model for the Prediction of the Metabolic Sites of Steroids Mediated by Cytochrome P450 3A4

    Directory of Open Access Journals (Sweden)

    Zi-Ru Dai

    2015-06-01

    Full Text Available Early prediction of xenobiotic metabolism is essential for drug discovery and development. As the most important human drug-metabolizing enzyme, cytochrome P450 3A4 has a large active cavity and metabolizes a broad spectrum of substrates. The poor substrate specificity of CYP3A4 makes it a huge challenge to predict the metabolic site(s on its substrates. This study aimed to develop a mechanism-based prediction model based on two key parameters, including the binding conformation and the reaction activity of ligands, which could reveal the process of real metabolic reaction(s and the site(s of modification. The newly established model was applied to predict the metabolic site(s of steroids; a class of CYP3A4-preferred substrates. 38 steroids and 12 non-steroids were randomly divided into training and test sets. Two major metabolic reactions, including aliphatic hydroxylation and N-dealkylation, were involved in this study. At least one of the top three predicted metabolic sites was validated by the experimental data. The overall accuracy for the training and test were 82.14% and 86.36%, respectively. In summary, a mechanism-based prediction model was established for the first time, which could be used to predict the metabolic site(s of CYP3A4 on steroids with high predictive accuracy.

  16. Interaction forces between nanoparticles in Lennard-Jones (L-J) solvents

    International Nuclear Information System (INIS)

    Sinha, Indrajit; Mukherjee, Ashim K

    2014-01-01

    Molecular simulations, such as Monte Carlo (MC) and molecular dynamics (MD) have been recently used for understanding the forces between colloidal nanoparticles that determine the dispersion and stability of nanoparticle suspensions. Herein we review the current status of research in the area of nanoparticles immersed in L-J solvents. The first study by Shinto et al. used large smooth spheres to depict nanoparticles in L-J and soft sphere solvents. The nanoparticles were held fixed at a particular interparticle distance and only the solvents were allowed to equilibrate. Both Van-der-waals and solvation forces were computed at different but fixed interparticle separation. Later Qin and Fitchthorn improved on this model by considering the nanoparticles as collection of molecules, thus taking into the account the effect of surface roughness of nanoparticles. Although the inter particle distance was fixed, the rotation of such nanoparticles with respect to each other was also investigated. Recently, in keeping with the experimental situation, we modified this model by allowing the nanoparticles to move and rotate freely. Solvophilic, neutral and solvophobic interactions between the solvent atoms and those that make up the nanoparticles were modelled. While neutral and solvophobic nanoparticles coalesce even at intermediate distances, solvophilic nanoparticles are more stable in solution due to the formation of a solvent shield

  17. A new aeroelastic model for composite rotor blades with straight and swept tips

    Science.gov (United States)

    Yuan, Kuo-An; Friedmann, Peretz P.; Venkatesan, Comandur

    1992-01-01

    An analytical model for predicting the aeroelastic behavior of composite rotor blades with straight and swept tips is presented. The blade is modeled by beam type finite elements along the elastic axis. A single finite element is used to model the swept tip. The nonlinear equations of motion for the finite element model are derived using Hamilton's principle and based on a moderate deflection theory and accounts for: arbitrary cross-sectional shape, pretwist, generally anisotropic material behavior, transverse shears and out-of-plane warping. Numerical results illustrating the effects of tip sweep, anhedral and composite ply orientation on blade aeroelastic behavior are presented. Tip sweep can induce aeroelastic instability by flap-twist coupling. Tip anhedral causes lag-torsion and flap-axial couplings, however, its effects on blade stability is less pronounced than the effect due to sweep. Composite ply orientation has a substantial effect on blade stability.

  18. PIXE analysis of mineral composition of alfalfa root-tip exposed to low pH or aluminum stress condition

    International Nuclear Information System (INIS)

    Yokota, Satoshi; Mae, Tadahiko; Ojima, Kunihiko; Ishii, Keizo.

    1994-01-01

    PIXE analysis was applied to study alteration of mineral composition (Al, P, K, and Cl) of alfalfa root-tip exposed to low pH or aluminum stress. These minerals were detectable using one or two pieces of root-tips. Short-term (within 4 h) decreases in K/P and Cl/P ratios were observed under low pH and aluminum stress conditions. However, degree of the decrease was not same. Differences in toxic effects of low pH and Al on the root-tip of alfalfa are discussed. (author)

  19. rLj-RGD3, a Novel Recombinant Toxin Protein from Lampetra japonica, Protects against Cerebral Reperfusion Injury Following Middle Cerebral Artery Occlusion Involving the Integrin-PI3K/Akt Pathway in Rats.

    Directory of Open Access Journals (Sweden)

    Qian Lu

    Full Text Available The RGD-toxin protein Lj-RGD3 is a naturally occurring 118 amino acid peptide that can be obtained from the salivary gland of the Lampetra japonica fish. This unique peptide contains 3 RGD (Arg-Gly-Asp motifs in its primary structure. Lj-RGD3 is available in recombinant form (rLj-RGD3 and can be produced in large quantities using DNA recombination techniques. The pharmacology of the three RGD motif-containing peptides has not been studied. This study investigated the protective effects of rLj-RGD3, a novel polypeptide, against ischemia/reperfusion-induced damage to the brain caused by middle cerebral artery occlusion (MCAO in a rat stroke model. We also explored the mechanism by which rLj-RGD3 acts by measuring protein and mRNA expression levels, with an emphasis on the FAK and integrin-PI3K/Akt anti-apoptosis pathways.rLj-RGD3 was obtained from the buccal secretions of Lampetra japonica using gene recombination technology. Sprague Dawley (SD rats were randomly divided into the following seven groups: a sham group; a vehicle-treated (VT group; 100.0 μg·kg-1, 50.0 μg·kg-1 and 25.0 μg·kg-1 dose rLj-RGD3 groups; and two positive controls, including 1.5 mg·kg-1 Edaravone (ED and 100.0 μg·kg-1 Eptifibatide (EP. MCAO was induced using a model consisting of 2 h of ischemia and 24 h of reperfusion. Behavioral changes were observed in the normal and operation groups after focal cerebral ischemia/reperfusion was applied. In addition, behavioral scores were evaluated at 4 and 24 h after reperfusion. Brain infarct volumes were determined based on 2,3,5-triphenyltetrazolium chloride (TTC staining. Pathological changes in brain tissues were observed using hematoxylin and eosin (H&E staining. Moreover, neuronal apoptosis was detected using terminal deoxynucleotidyl transferase-mediated dUTP-biotin nick-end labeling (TUNEL assays. We determined the expression levels of focal adhesion kinase (FAK, phosphatidyl inositol 3-kinase (PI3K, protein kinase B

  20. Tip cell overtaking occurs as a side effect of sprouting in computational models of angiogenesis.

    Science.gov (United States)

    Boas, Sonja E M; Merks, Roeland M H

    2015-11-21

    During angiogenesis, the formation of new blood vessels from existing ones, endothelial cells differentiate into tip and stalk cells, after which one tip cell leads the sprout. More recently, this picture has changed. It has become clear that endothelial cells compete for the tip position during angiogenesis: a phenomenon named tip cell overtaking. The biological function of tip cell overtaking is not yet known. From experimental observations, it is unclear to what extent tip cell overtaking is a side effect of sprouting or to what extent it is regulated through a VEGF-Dll4-Notch signaling network and thus might have a biological function. To address this question, we studied tip cell overtaking in computational models of angiogenic sprouting in absence and in presence of VEGF-Dll4-Notch signaling. We looked for tip cell overtaking in two existing Cellular Potts models of angiogenesis. In these simulation models angiogenic sprouting-like behavior emerges from a small set of plausible cell behaviors. In the first model, cells aggregate through contact-inhibited chemotaxis. In the second model the endothelial cells assume an elongated shape and aggregate through (non-inhibited) chemotaxis. In both these sprouting models the endothelial cells spontaneously migrate forwards and backwards within sprouts, suggesting that tip cell overtaking might occur as a side effect of sprouting. In accordance with other experimental observations, in our simulations the cells' tendency to occupy the tip position can be regulated when two cell lines with different levels of Vegfr2 expression are contributing to sprouting (mosaic sprouting assay), where cell behavior is regulated by a simple VEGF-Dll4-Notch signaling network. Our modeling results suggest that tip cell overtaking can occur spontaneously due to the stochastic motion of cells during sprouting. Thus, tip cell overtaking and sprouting dynamics may be interdependent and should be studied and interpreted in combination. VEGF

  1. Active control of the tip vortex: an experimental investigation on the performance characteristics of a model turbine

    International Nuclear Information System (INIS)

    Anik, E; Abdulrahim, A; Ostovan, Y; Mercan, B; Uzol, O

    2014-01-01

    This study is part of an on-going experimental research campaign that focuses on the active control of the tip leakage/vortex characteristics of a model horizontal axis wind turbine rotor using tip injection. This paper presents both baseline (no-injection) data as well as data with tip injection, concentrating on the effects of tip injection on power and thrust variations with the Tip Speed Ratio (TSR). The experiments are conducted by placing a specially designed 3-bladed model wind turbine rotor at the exit of a 1.7 m diameter open-jet wind tunnel. The rotor blades are non-linearly twisted and tapered with NREL S826 airfoil profile all along the span. The nacelle, hub and the blades are specifically designed to allow pressurized air to pass through and get injected from the blade tips while the rotor is rotating. Baseline results show that the general trends are as expected for a small wind turbine and the maximum power coefficient is reached at around TSR=4.5. Results with injection show that the tip injection has significant effect on the power and thrust coefficients in comparison to the baseline data, especially at TSR values higher than the max C P TSR value. Both coefficients seem to be significantly increased due to tip injection and the max C P TSR value also gets shifted to a slightly higher TSR value. Tip injection seems to have no significant effect for TSR values less than 3.5

  2. The tipping point: A mathematical model for the profit-driven abandonment of restaurant tipping

    Science.gov (United States)

    Clifton, Sara M.; Herbers, Eileen; Chen, Jack; Abrams, Daniel M.

    2018-02-01

    The custom of voluntarily tipping for services rendered has gone in and out of fashion in America since its introduction in the 19th century. Restaurant owners that ban tipping in their establishments often claim that social justice drives their decisions, but we show that rational profit-maximization may also justify the decisions. Here, we propose a conceptual model of restaurant competition for staff and customers, and we show that there exists a critical conventional tip rate at which restaurant owners should eliminate tipping to maximize profits. Because the conventional tip rate has been increasing steadily for the last several decades, our model suggests that restaurant owners may abandon tipping en masse when that critical tip rate is reached.

  3. Asymptotic normalization coefficients (nuclear vertex constants) for the p+7Be→8B and the 7Be(p, γ)8B astrophysical S-factors at solar energies

    International Nuclear Information System (INIS)

    Igamov, S.B.; Yarmukhamedov, R.

    2007-01-01

    Full text: The 7 Be(p,γ) 8 B reaction rate given by in terms of the zero-energy astrophysical S-factor S(0) is one of the main input data in the solar neutrino problem because the high energy neutrinos are produced via the decay 8 B→ 7 Be+e + + n e . This quantity is determined by both extrapolating the measured absolute cross sections σexp (E) (or equivalently its experimental S-factors S exp (E) ) to solar energies (≅ 25 keV) and the theoretical predictions. Despite the steady and impressive progress in our understanding of this reaction have been made in last years in measurements S exp (E) at extremely low energies and the theoretical predictions S(E) at solar energies (E≤25 keV), ambiguities (up to about 35%) associated with prediction for S(0) however still exist, and it may considerably influence the predictions of the standard solar model. In this work the modified two - body potential approach is applied for a new analysis of the highly precise experimental astrophysical S-factors for the direct capture 7 Be(p, γ) 8 B reaction at E≤400 keV and 1000≤E≤1200 keV to obtain 'indirectly measured' values both of the asymptotic normalization coefficient (ANC) for the p+ 7 Be→ 8 B and of S(E) at E≤115 keV, including E=0. In this approach S(E) is expressed in the terms of ANC C Aα;lj 2 but not in the terms of the usual spectroscopic factor Z Aα;lj , which is related to the ANC C Aα;l. j as Z aα;lj =C Aα;lj 2 /b lj 2 , where b lj is the single-particle ANC for the wave function of the bound 8 B( 7 Be+p) state calculated within the shell model using the phenomenological Woods-Saxon potential with the geometric parameters (a radius r o and a diffuseness a). The approach allows one to remove the model dependence of the calculated direct on S(E) on the geometric parameters r o and a both for the two-body bound ( 7 Be+p) state and the p 7 Be- scattering state in minimum. The analysis of the experimental S exp (E) is performed by verifying values of

  4. Implementation and testing of the travel time prediction system (TIPS)

    OpenAIRE

    PANT, Prahlad D; UNIVERSITY OF CINCINNATI

    2001-01-01

    RAPPORT DE RECHERCHE FINAL The Travel Time Prediction System (TIPS) is a portable automated system for predicting and displaying travel time for motorists in advance of and through freeway construction work zones,on a real-time basis

  5. Modelling of Tip Vortex Cavitation for Engineering Applications in OpenFOAM

    NARCIS (Netherlands)

    Schot, J.J.A.; Pennings, P.C.; Pourquie, M.J.B.M.; Van Terwisga, T.J.C.

    2014-01-01

    In this paper modelling assumptions for the prediction of tip vortex flow and vortex cavitation with the RANS equations and homogeneous fluid approach in Open-FOAM are presented. The effects of the changes in the turbulence model are investigated and the results are compared with PIV measurements.

  6. Predicting mountain lion activity using radiocollars equipped with mercury tip-sensors

    Science.gov (United States)

    Janis, Michael W.; Clark, Joseph D.; Johnson, Craig

    1999-01-01

    Radiotelemetry collars with tip-sensors have long been used to monitor wildlife activity. However, comparatively few researchers have tested the reliability of the technique on the species being studied. To evaluate the efficacy of using tip-sensors to assess mountain lion (Puma concolor) activity, we radiocollared 2 hand-reared mountain lions and simultaneously recorded their behavior and the associated telemetry signal characteristics. We noted both the number of pulse-rate changes and the percentage of time the transmitter emitted a fast pulse rate (i.e., head up) within sampling intervals ranging from 1-5 minutes. Based on 27 hours of observations, we were able to correctly distinguish between active and inactive behaviors >93% of the time using a logistic regression model. We present several models to predict activity of mountain lions; the selection of which to us would depend on study objectives and logistics. Our results indicate that field protocols that use only pulse-rate changes to indicate activity can lead to significant classification errors.

  7. Estimating the magnitude of prediction uncertainties for field-scale P loss models

    Science.gov (United States)

    Models are often used to predict phosphorus (P) loss from agricultural fields. While it is commonly recognized that model predictions are inherently uncertain, few studies have addressed prediction uncertainties using P loss models. In this study, an uncertainty analysis for the Annual P Loss Estima...

  8. The effect of full coverage winglets on tip leakage aerodynamics over the plane tip in a turbine cascade

    International Nuclear Information System (INIS)

    Lee, Sang Woo; Cheon, Joo Hong; Zhang, Qiang

    2014-01-01

    Highlights: • The effect of full coverage (FC) winglets on tip leakage aerodynamics is tested. • A qualitative tip gap flow model for the FC winglet is suggested. • The FC winglet of w/p = 10.55% is considered an optimal one for the plane tip. -- Abstract: The effect of full coverage (FC) winglets on tip leakage aerodynamics over the plane tip in a turbine cascade has been investigated with the variation of winglet width (w) up to w/p = 15.83% for a tip gap-to-span (chord) ratio of h/s = 1.36% (h/c = 2.0%). A qualitative tip gap flow model for the FC winglet is suggested on the bases of the near-tip surface flow visualizations. As w/p increases, the passage vortex tends to be weakened meanwhile the tip leakage vortex becomes stronger and wall-jet-like. With an increment of w/p, the mass-averaged aerodynamic loss all over the measurement plane decreases steeply up to w/p = 10.55% and then becomes almost unchanged. Thus, the FC winglet of w/p = 10.55% is considered an optimal one for the plane tip. With respect to the baseline plane tip without winglet, the maximum mass-averaged loss reduction by installing the FC winglet on the plane tip is still somewhat smaller than that by employing the cavity squealer rim on the plane tip surface

  9. Nematic-isotropic transition in some lattice models for rigid cores having semiflexible tails: segmental Lennard-Jones interactions

    International Nuclear Information System (INIS)

    Dowell, F.

    1983-01-01

    Two average-environment simple cubic lattice models: a refined model and a simple model, both having site-site (segmental) pair Lennard-Jones (LJ) interactions: for molecules composed of rigid cores having semiflexible tails are presented. The calculated values of the following properties at the nematic-isotropic transition for rigid rods of varying length are compared with relevant experimental data for PAA (p-azoxyanisole, or 4,4'-dimethoxyazoxybenzene): temperature, core orientational order parameter, nematic density and volume, relative density change, and relative entropy change. The temperature change as a function of volume change at constant order parameter is also discussed. In general, both LJ models give considerably better quantitative agreement with experiment, especially for the temperature and the relative density change, than do the earlier lattice models with hard repulsions, with or without constant segmental pair interaction energies. In most aspects, these LJ models give good quantitative agreement with experiment. These LJ models elucidate the importance of realistic intermolecular potentials, especially the role of soft repulsions, in describing an order-disorder transition between two condensed phases

  10. Electrochemical and safety characteristics of TiP2O7–graphene nanocomposite anode for rechargeable lithium-ion batteries

    International Nuclear Information System (INIS)

    Rai, Alok Kumar; Gim, Jihyeon; Song, Jinju; Mathew, Vinod; Anh, Ly Tuan; Kim, Jaekook

    2012-01-01

    This paper reports a co-precipitation synthesis of TiP 2 O 7 –graphene (10 wt%) nanocomposite and pure TiP 2 O 7 nanoparticles for the use as an advanced anode material for high performance lithium-ion batteries. The structure and morphology of the compounds are characterized by powder X-ray diffraction, field-emission scanning electron microscopy and field-emission transmission electron microscopy techniques. The electrochemical performances were evaluated in coin type Li-ion test cells. This TiP 2 O 7 –graphene nanocomposite displayed superior Li-ion battery performance with a large reversible capacity, excellent cyclic performance and good rate capability at a current density of 0.1 mA cm −2 . At an elevated current density of 6.4 mA cm −2 , the nanocomposite anode delivered a capacity of 98.4 mAh g −1 , which is much higher than that of pure TiP 2 O 7 (0.56 mAh g −1 ). The impressive electrochemical performance of the nanocomposite was ascribed to the synergistic effect of the high surface area nanoparticles in conjunction with the good electronic conductivity of graphene. The graphene nanosheets not only provide an electronically conducting network, but also tend to prevent the aggregation of the high surface area TiP 2 O 7 nanoparticles. Further, the graphene nanosheets can act as buffer layers to accommodate the volume change during the Li-ion insertion/extraction processes in the TiP 2 O 7 nanoparticles.

  11. Statistical Model Predictions for p+p and Pb+Pb Collisions at LHC

    CERN Document Server

    Kraus, I; Oeschler, H; Redlich, K; Wheaton, S

    2009-01-01

    Particle production in p+p and central Pb+Pb collisions at LHC is discussed in the context of the statistical thermal model. For heavy-ion collisions, predictions of various particle ratios are presented. The sensitivity of several ratios on the temperature and the baryon chemical potential is studied in detail, and some of them, which are particularly appropriate to determine the chemical freeze-out point experimentally, are indicated. Considering elementary interactions on the other hand, we focus on strangeness production and its possible suppression. Extrapolating the thermal parameters to LHC energy, we present predictions of the statistical model for particle yields in p+p collisions. We quantify the strangeness suppression by the correlation volume parameter and discuss its influence on particle production. We propose observables that can provide deeper insight into the mechanism of strangeness production and suppression at LHC.

  12. BBN predictions for 4He

    International Nuclear Information System (INIS)

    Walker, T.P.

    1993-01-01

    The standard model of the hot big bang assumes a homogeneous and isotropic Universe with gravity described by General Relativity and strong and electroweak interactions described by the Standard Model of particle physics. The hot big bang model makes the unavoidable prediction that the production of primordial elements occurred about one minute after the big band (referred to as big bang or primordial nucleosynthesis BBN). This review concerns the range of the primordial abundance of 4 He as predicted by standard BBN (i.e., primordial nucleosynthesis assuming a homogeneous distribution of baryons). In it the author discusses: (1) Uncertainties in the calculation of Y p (the mass fraction of primordial 4 He), (2) The expected range of Y p , (3) How the predictions stack up against the latest observations, and (4) The latest BBN bounds on Ω B h 2 and N ν . 13 refs., 2 figs

  13. Improvement of Transdermal Delivery of Exendin-4 Using Novel Tip-Loaded Microneedle Arrays Fabricated from Hyaluronic Acid.

    Science.gov (United States)

    Liu, Shu; Wu, Dan; Quan, Ying-Shu; Kamiyama, Fumio; Kusamori, Kosuke; Katsumi, Hidemasa; Sakane, Toshiyasu; Yamamoto, Akira

    2016-01-04

    The purpose of this study was to evaluate the characteristics of exendin-4 tip-loaded microneedle arrays and to compare their acute efficacy with subcutaneous injections in type 2 diabetic GK/Slc rats. Fluorescein isothiocyanate labeled dextran with an average molecular weight of 4,000 (FD4) was selected as a model drug, and FD4 tip-loaded microneedle arrays were prepared in this study. In addition, intraperitoneal glucose tolerance tests after application of exendin-4 tip-loaded microneedle arrays were also compared with those after subcutaneous injection in type 2 diabetic GK/Slc rats. The release of FD4 from the tip-loaded microneedle arrays was very rapid, particularly in the initial 30 s, and most of the FD4 was released within 5 min. In addition, glucose tolerance was improved and the insulin secretion was enhanced after application of exendin-4 tip-loaded microneedle arrays, and these effects were comparable to those after subcutaneous injection of exendin-4. Similar plasma concentration profiles were seen after application of exendin-4 tip-loaded microneedle arrays, as was the case with subcutaneous injection in type 2 diabetic GK/Slc rats. These findings indicate that exendin-4 tip-loaded microneedle arrays can be used as an alternative to achieve sufficient delivery of exendin-4 for treatment of type 2 diabetes. To our knowledge, this is the first report of transdermal exendin-4 delivery using tip-loaded microneedle arrays.

  14. Statistical model predictions for p+p and Pb+Pb collisions at LHC

    NARCIS (Netherlands)

    Kraus, I.; Cleymans, J.; Oeschler, H.; Redlich, K.; Wheaton, S.

    2009-01-01

    Particle production in p+p and central collisions at LHC is discussed in the context of the statistical thermal model. For heavy-ion collisions, predictions of various particle ratios are presented. The sensitivity of several ratios on the temperature and the baryon chemical potential is studied in

  15. Phosphorylation of Tip60 by GSK-3 determines the induction of PUMA and apoptosis by p53

    Science.gov (United States)

    Charvet, Céline; Wissler, Manuela; Brauns-Schubert, Prisca; Wang, Shang-Jui; Tang, Yi; Sigloch, Florian C.; Mellert, Hestia; Brandenburg, Martin; Lindner, Silke E.; Breit, Bernhard; Green, Douglas R.; McMahon, Steven B.; Borner, Christoph; Gu, Wei; Maurer, Ulrich

    2011-01-01

    Summary Activation of p53 by DNA damage results in either cell cycle arrest, allowing DNA repair and cell survival, or induction of apoptosis. As these opposite outcomes are both mediated by p53 stabilization, additional mechanisms to determine this decision must exist. Here we show that glycogen synthase kinase-3 (GSK-3) is required for the p53-mediated induction of the pro-apoptotic BH3 only-protein PUMA, an essential mediator of p53-induced apoptosis. Inhibition of GSK-3 protected from cell death induced by DNA damage and promoted increased long-term cell survival. We demonstrate that GSK-3 phosphorylates serine 86 of the p53-acetyltransferase Tip60. A Tip60S86A mutant was less active to induce p53 K120 acetylation, Histone 4 acetylation and expression of PUMA. Our data suggest that GSK-3 mediated Tip60S86-phosphorylation provides a link between PI3K signaling and the choice for or against apoptosis induction by p53. PMID:21658600

  16. Some aspects of forces and fields in atomic models of crack tips

    International Nuclear Information System (INIS)

    Hoagland, R.G.; Daw, M.S.; Hirth, J.P.

    1991-01-01

    This paper examines the stresses and displacement gradients in atomistic models of cracks based on an EAM potential devised for aluminum. Methods for computing these quantities are described. Results are presented for two models differing in terms of the orientations of the crack relative to the crystal, a [100](010) orientation that behaves in a brittle fashion and a [111](110) orientation which emits partial dislocations prior to extending. Both models display lattice trapping. The stresses in the brittle crack model are compared with the linear elastic prediction and found to be in remarkably good agreement to within distances of about one lattice parameter of the crack tip and at the free surface where contributions from sources other than strain energy (e.g., surface tension) influence the results. Similar results are observed for the ductile model until dislocation emission occurs. The largest stresses that develop just prior to crack extension or dislocation emission are used to estimate the ratio of theoretical tensile strength to shear strength in this material. Eshelby's conservation integrals, F and M, are also computed. F is found to be essentially contour independent and in agreement with the linear elastic prediction in both models until dislocation emission occurs, at which point a large screening contribution arises from the emitted partials. The contour size dependence of M reveals some interesting features of the crack tip including a slight wobble of the crack tip inside its potential well with changing applied K and the existence of forces acting to move the crack faces apart as blunting occurs

  17. Modeling of Electronic Transport in Scanning Tunneling Microscope Tip-Carbon Nanotube Systems

    Science.gov (United States)

    Yamada, Toshishige; Kwak, Dochan (Technical Monitor)

    2000-01-01

    A model is proposed for two observed current-voltage (I-V) patterns in a recent experiment with a scanning tunneling microscope tip and a carbon nanotube. We claim that there are two mechanical contact modes for a tip (metal) -nanotube (semiconductor) junction (1) with or (2) without a tiny vacuum gap (0.1 - 0.2 nm). With the tip grounded, the tunneling case in (1) would produce large dI/dV with V > 0, small dI/dV with V < 0, and I = 0 near V = 0 for an either n- or p-nanotube; the Schottky mechanism in (2) would result in I does not equal 0 only with V < 0 for an n-nanotube, and the bias polarities would be reversed for a p-nanotube. The two observed I-V patterns are thus entirely explained by a tip-nanotube contact of the two types, where the nanotube must be n-type.

  18. Results of the radiological survey at 4 Hancock Street, Lodi, New Jersey (LJ060)

    International Nuclear Information System (INIS)

    Foley, R.D.; Carier, R.F.; Floyd, L.M.; Crutcher, J.W.

    1989-09-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 4 Hancock Street, Lodi, New Jersey (LJ060), was conducted during 1985 and 1986. Gamma logging results found during this survey and during a previous survey conducted by Bechtel National, Incorporated, strongly indicated radionuclide concentrations in subsurface soil in excess of DOE remedial action criteria. This finding, coupled with the fact that adjacent properties have been found to be contaminated and that Lodi Brook apparently flows under the property, suggests that it be considered for inclusion in the DOE remedial action program. 5 refs., 4 figs., 4 tabs

  19. Rotor aerodynamic power limits at low tip speed ratio using CFD

    International Nuclear Information System (INIS)

    Mikkelsen, Robert F; Sarmast, Sasan; Henningson, Dan; Sørensen, Jens N

    2014-01-01

    When investigating limits of rotor aerodynamic models, the Betz limit serves as a solid marker of an upper limit which no model should be able to exceed. A century ago Joukowsky (1912) proposed a rotor aerodynamic model utilizing a rotating actuator disc with a constant circulation. This model has since then been the subject of much controversy as it predicts a power performance that for all tip speed ratios exceeds the Betz limit and which goes to infinity when the tip speed ratio goes to zero. Recently, it was demonstrated that the Joukowsky model is fully consistent with the inviscid Euler equations and that the apparent inconsistency partly can be explained by the lack of viscous effects (Sprensen and van Kuik [4]). However, even including a term to account for the effect of viscosity at small tip speed ratios, the model still predicts a power yield that exceeds the Betz limit. In the present work we study in detail, using a CFD actuator line model, the flow behavior for rotors at small tip speed ratios. It is shown that the excessive swirl appearing towards the rotor center at small tip speed ratios generates vortex breakdown, causing a recirculating zone in the wake that limits the power yield of the rotor. The appearance of vortex breakdown has a similar effect on the flow behavior as the vortex ring state that usually appears at higher tip speed ratios. Limits to where vortex breakdown might occur with tip speed ratio and rotor loading as parameter are investigated and presented in the paper. The limits found correspond to well-known criterion for vortex breakdown onset for swirling flows in general. By applying a criterion for vortex breakdown in combination with the general momentum theory, the power performance always stays below the Betz limit

  20. Results of the radiological survey at 4 Branca Court, Lodi, New Jersey (LJ037)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.R.; Crutcher, J.W.

    1989-06-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 4 Branca Court, Lodi, New Jersey (LJ037), was conducted during 1985 and 1986. Results of the survey demonstrated no radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. However, this property is apparently located directly over the old Lodi Brook streambed. This factor in combination with the elevated gamma logs of several auger holes is sufficient to recommend this site for inclusion in the DOE remedial action program. 5 refs., 5 figs., 4 tabs

  1. New tips for structure prediction by comparative modeling

    OpenAIRE

    Rayan, Anwar

    2009-01-01

    Comparative modelling is utilized to predict the 3-dimensional conformation of a given protein (target) based on its sequence alignment to experimentally determined protein structure (template). The use of such technique is already rewarding and increasingly widespread in biological research and drug development. The accuracy of the predictions as commonly accepted depends on the score of sequence identity of the target protein to the template. To assess the relationship between sequence iden...

  2. Probing colloidal forces between a Si3N4 AFM tip and single nanoparticles of silica and alumina.

    Science.gov (United States)

    Drelich, J; Long, J; Xu, Z; Masliyah, J; White, C L

    2006-11-15

    The atomic force microscope (AFM) has been used to measure surface forces between silicon nitride AFM tips and individual nanoparticles deposited on substrates in 10(-4) and 10(-2) M KCl solutions. Silica nanoparticles (10 nm diameter) were deposited on an alumina substrate and alumina particles (5 to 80 nm diameter) were deposited on a mica substrate using aqueous suspensions. Ionic concentrations and pH were used to manage attractive substrate-particle electrostatic forces. The AFM tip was located on deposited nanoparticles using an operator controlled offset to achieve stepwise tip movements. Nanoparticles were found to have a negligible effect on long-range tip-substrate interactions, however, the forces between the tip and nanoparticle were detectable at small separations. Exponentially increasing short-range repulsive forces, attributed to the hydration forces, were observed for silica nanoparticles. The effective range of hydration forces was found to be 2-3 nm with the decay length of 0.8-1.3 nm. These parameters are in a good agreement with the results reported for macroscopic surfaces of silica obtained using the surface force apparatus suggesting that hydration forces for the silica nanoparticles are similar to those for flat silica surfaces. Hydration forces were not observed for either alumina substrates or alumina nanoparticles in both 10(-4) M KCl solution at pH 6.5 and 10(-2) M KCl at pH 10.2. Instead, strong attractive forces between the silicon nitride tip and the alumina (nanoparticles and substrate) were observed.

  3. Free Energy Landscapes of Alanine Oligopeptides in Rigid-Body and Hybrid Water Models.

    Science.gov (United States)

    Nayar, Divya; Chakravarty, Charusita

    2015-08-27

    Replica exchange molecular dynamics is used to study the effect of different rigid-body (mTIP3P, TIP4P, SPC/E) and hybrid (H1.56, H3.00) water models on the conformational free energy landscape of the alanine oligopeptides (acAnme and acA5nme), in conjunction with the CHARMM22 force field. The free energy landscape is mapped out as a function of the Ramachandran angles. In addition, various secondary structure metrics, solvation shell properties, and the number of peptide-solvent hydrogen bonds are monitored. Alanine dipeptide is found to have similar free energy landscapes in different solvent models, an insensitivity which may be due to the absence of possibilities for forming i-(i + 4) or i-(i + 3) intrapeptide hydrogen bonds. The pentapeptide, acA5nme, where there are three intrapeptide backbone hydrogen bonds, shows a conformational free energy landscape with a much greater degree of sensitivity to the choice of solvent model, though the three rigid-body water models differ only quantitatively. The pentapeptide prefers nonhelical, non-native PPII and β-sheet populations as the solvent is changed from SPC/E to the less tetrahedral liquid (H1.56) to an LJ-like liquid (H3.00). The pentapeptide conformational order metrics indicate a preference for open, solvent-exposed, non-native structures in hybrid solvent models at all temperatures of study. The possible correlations between the properties of solvent models and secondary structure preferences of alanine oligopeptides are discussed, and the competition between intrapeptide, peptide-solvent, and solvent-solvent hydrogen bonding is shown to be crucial in the relative free energies of different conformers.

  4. Hemoglobin LjGlb1-1 is involved in nodulation and regulates the level of nitric oxide in the Lotus japonicus-Mesorhizobium loti symbiosis.

    Science.gov (United States)

    Fukudome, Mitsutaka; Calvo-Begueria, Laura; Kado, Tomohiro; Osuki, Ken-Ichi; Rubio, Maria Carmen; Murakami, Ei-Ichi; Nagata, Maki; Kucho, Ken-Ichi; Sandal, Niels; Stougaard, Jens; Becana, Manuel; Uchiumi, Toshiki

    2016-09-01

    Leghemoglobins transport and deliver O2 to the symbiosomes inside legume nodules and are essential for nitrogen fixation. However, the roles of other hemoglobins (Hbs) in the rhizobia-legume symbiosis are unclear. Several Lotus japonicus mutants affecting LjGlb1-1, a non-symbiotic class 1 Hb, have been used to study the function of this protein in symbiosis. Two TILLING alleles with single amino acid substitutions (A102V and E127K) and a LORE1 null allele with a retrotransposon insertion in the 5'-untranslated region (96642) were selected for phenotyping nodulation. Plants of all three mutant lines showed a decrease in long infection threads and nodules, and an increase in incipient infection threads. About 4h after inoculation, the roots of mutant plants exhibited a greater transient accumulation of nitric oxide (NO) than did the wild-type roots; nevertheless, in vitro NO dioxygenase activities of the wild-type, A102V, and E127K proteins were similar, suggesting that the mutated proteins are not fully functional in vivo The expression of LjGlb1-1, but not of the other class 1 Hb of L. japonicus (LjGlb1-2), was affected during infection of wild-type roots, further supporting a specific role for LjGlb1-1. In conclusion, the LjGlb1-1 mutants reveal that this protein is required during rhizobial infection and regulates NO levels. © The Author 2016. Published by Oxford University Press on behalf of the Society for Experimental Biology.

  5. pHis 317 Pro Mutasyonu Saptanmış Bir Mody Tip 2 Olgusu

    OpenAIRE

    BİNİCİ, Doğan Nasır; TİMUR, Özge; TURHAN, Aykut; ŞENYİĞİT2, Abdülhalim; FİLİZ, Murat; KİPER, Tuğba

    2017-01-01

    Genç yaşta ortaya çıkan erişkin tip diyabet [Maturity- onset Diabetes of the Young (MODY)], otozomal dominant kalıtılan nadir bir diyabet türüdür. Tüm diyabet olgularının %1-2’sini oluşturur. MODY tip diyabet olgularının çoğunluğu yanlışlıkla tip 1 veya tip 2 diyabet tanısı almaktadır. Birçok tipi tanımlanmasına rağmen glukokinaz mutasyonu ile meydana gelen MODY tip 2 daha sık görülmektedir. Bu vaka sunumunda daha önce rastlanmamış bir mutasyon, pHis 317 Pro mutasyonu saptanmış MODY tip 2 olg...

  6. Effect of Potential Range in Pressure-Temperature Behavior in Isotropic-Nematic Transition of 4-4´-Bis(EthyloxyAzoxybenzene (P-Azoxyphenetole, Pap, 4-Pentyl-4´-Cyanobiphenyl (5cb, P-Methoxybenzydidene-P-N-Butylaniline (Mbba and P–Ethoxybenzylidene–P–N-Butylaniline (Ebba

    Directory of Open Access Journals (Sweden)

    García-Sánchez E.

    2011-04-01

    Full Text Available In this work we employed the Density Functional Theory (IPCM model to calculate molecular volume and k, and the perturbation theory proposed by García-Sánchez et al. (2002 to predict phase diagram and experimental behavior pressure-temperature for isotropic-nematic transition of 4-4´-bis(ethyloxyazoxybenzene (p-azoxyphenetole, PAP, 4-pentyl-4´-cyanobiphenyl (5CB, p-methoxybenzydidene-p-n-butylaniline (MBBA and p–ethoxybenzylidene–p–n-butylaniline (EBBA at 1 atm. If during the theoretical prediction bigger potential values of potential range of square well (l > k are considered in the theoretical model, it is possible to get better prediction of the experimental behavior. The above mentioned is according with the theoretical formulation of the Second Order Perturbation Theory since Ponce-Renon approximation is included.

  7. Predicting onset and withdrawal of Indian Summer Monsoon in 2016: results of Tipping elements approach

    Science.gov (United States)

    Surovyatkina, Elena; Stolbova, Veronika; Kurths, Jurgen

    2017-04-01

    The monsoon is the season of rain caused by a global seasonal reverse in winds direction and a change in pressure distribution. The Southwest winds bring summer monsoon to India. The economy of India is able to maintain its GDP in the wake of a good monsoon. However, if monsoon gets delayed by even two weeks, it can spell disaster because the high population depending on agriculture - 70% of its people directly related to farming. Agriculture, in turn, is dependent on the monsoon. Although the rainy season happens annually between June and September, the time of monsoon season's onset and withdrawal varies within a month from year to year. The important feature of the monsoon is that it starts and ends suddenly. Hence, despite enormous progress having been made in predicting monsoon since 1886, it remains a significant scientific challenge. To make predictions of monsoon timing in 2016, we applied our recently developed method [1]. Our approach is based on a teleconnection between the Eastern Ghats (EG) and North Pakistan (NP) - Tipping Elements of Indian Summer Monsoon. Both our predictions - for monsoon onset and withdrawal - were made for the Eastern Ghats region (EG-20N,80E) in the central part of India, while the Indian Meteorological Department forecasts monsoon over Kerala - a state at the southern tip of the Indian subcontinent. Our prediction for monsoon onset was published on May 6-th, 2016 [2]. We predicted the monsoon arrival to the EG on the 13th of June with a deviation of +/-4 days. In fact, monsoon onset was on June 17-th, that was confirmed by information from meteorological stations located around the EG-region. Hence, our prediction of monsoon onset (made 40 days in advance) was correct. We delivered the prediction of monsoon withdrawal on July 27, 2016 [3], announcing the monsoon withdrawal from the EG on October 5-th with a deviation of +/-5 days. The actual monsoon withdrawal started on October 10-th when the relative humidity in the region

  8. Multivariate Modeling of Cytochrome P450 Enzymes for 4 ...

    African Journals Online (AJOL)

    were generated to predict the inhibition of CYP 2B6, 2C9, 2C19, 2D6, and 3A4 isoforms using a set of ... may also guide further investigations of novel drug candidates that are unlikely to inhibit multiple CYP sub-types. ... resistant strains of P. falciparum by varying the chemical ..... mathematical equations for the prediction of.

  9. Regulation of H+ Extrusion and Cytoplasmic pH in Maize Root Tips Acclimated to a Low-Oxygen Environment.

    Science.gov (United States)

    Xia, J. H.; Roberts, JKM.

    1996-05-01

    We tested the hypothesis that H+ extrusion contributes to cytoplasmic pH regulation and tolerance of anoxia in maize (Zea mays) root tips. We studied root tips of whole seedlings that were acclimated to a low-oxygen environment by pretreatment in 3% (v/v) O2. Acclimated root tips characteristically regulate cytoplasmic pH near neutrality and survive prolonged anoxia, whereas nonacclimated tips undergo severe cytoplasmic acidosis and die much more quickly. We show that the plasma membrane H+-ATPase can operate under anoxia and that net H+ extrusion increases when cytoplasmic pH falls. However, at an external pH near 6.0, H+ extrusion contributes little to cytoplasmic pH regulation. At more acidic external pH values, net H+ flux into root tips increases dramatically, leading to a decrease in cytoplasmic pH and reduced tolerance of anoxia. We present evidence that, under these conditions, H+ pumps are activated to partly offset acidosis due to H+ influx and, thereby, contribute to cytoplasmic pH regulation and tolerance of anoxia. The regulation of H+ extrusion under anoxia is discussed with respect to the acclimation response and mechanisms of intracellular pH regulation in aerobic plant cells.

  10. A theoretical survey of 4s-4p and 4p-4d transitions in nickel-like ions through Sn XXIII

    International Nuclear Information System (INIS)

    Wyart, J.F.

    1987-01-01

    The predictions of 4s-4p and 4p-4d transitions derived from Slater-Condon type calculations of 3d 9 4s, -4p and -4d configurations in the sequence Zn III-Se VII have been recently confirmed experimentally through Mo XV. These new data are used here to refine the predictions in the sequence Mo XV-Sn XXIII. The radial parameters involved in the three configurations are determined in generalized least-squares fits using all known levels in the sequence. (orig.)

  11. Prediction of LOFT L1-4 experiment

    International Nuclear Information System (INIS)

    Soda, Kunihisa; Sasaki, Shinobu; Akimoto, Masayuki; Koizumi, Yasuo; Araya, Fumimasa

    1977-10-01

    LOFT L1-4 experimental results were predicted by LOFT Analysis Group and Code Development Group using RELAP-4J and ALARM-P1 respectively. The input data prepared by the former group were used in both the analyses. Thus any differences in the results should stem from the differences in code performance characteristics of the two codes. (1) The coolant behaviors predicted by RELAP-4J and ALARM-P1 are in good agreement although some differences do exist between these two calculation models. (2) Large difference is seen in coolant flow rate across the pump. The coast down and the flow rate by ALARM-P1 are larger and smaller respectively than by RELAP-4J. (3) An explicit method of the ALARM-P1 leads to unstable calculation at a T shaped junction when one of the two volumes connected by the junction is filled with subcooled water. (4) Coolant flow in the downcomer, heat transfer to and from the steam generator secondary and suppression tank behavior must be modified to better predict the experimental results. (5) Additional instrumentation in reflood assist and ECC injection lines are necessary to better nderstand the coolant behavior. (auth.)

  12. Fat grafting and breast reconstruction: tips for ensuring predictability.

    Science.gov (United States)

    Gabriel, Allen; Champaneria, Manish C; Maxwell, G Patrick

    2015-06-01

    Autologous fat grafting is widely used in breast surgery to refine and optimize aesthetic outcomes. Despite its widespread use, obtaining predictable, reliable, and consistent outcomes remains a significant challenge and is influenced by the technique used for procurement, processing, and placement of the fat. At present, there is no published consensus on the optimal technique. The purpose of this article is to review current techniques at each stage of fat grafting and provide tips on best practices based on the published literature as well as our extensive clinical experience.

  13. New theory for crack-tip twinning in fcc metals

    Science.gov (United States)

    Andric, Predrag; Curtin, W. A.

    2018-04-01

    Dislocation emission from a crack tip is a necessary mechanism for crack tip blunting and toughening. In fcc metals under Mode I loading, a first partial dislocation is emitted, followed either by a trailing partial dislocation ("ductile" behaviour) or a twinning partial dislocation ("quasi-brittle"). The twinning tendency is usually estimated using the Tadmor and Hai extension of the Rice theory. Extensive molecular statics simulations reveal that the predictions of the critical stress intensity factor for crack tip twinning are always systematically lower (20-35%) than observed. Analyses of the energy change during nucleation reveal that twin partial emission is not accompanied by creation of a surface step while emission of the trailing partial creates a step. The absence of the step during twinning motivates a modified model for twinning nucleation that accounts for the fact that nucleation does not occur directly at the crack tip. Predictions of the modified theory are in excellent agreement with all simulations that show twinning. Emission of the trailing partial dislocation, including the step creation, is predicted using a model recently introduced to accurately predict the first partial emission and shows why twinning is preferred. A second mode of twinning is found wherein the crack first advances by cleavage and then emits the twinning partial at the new crack tip; this mode dominates for emission beyond the first twinning partial. These new theories resolve all the discrepancies between the Tadmor twinning analysis and simulations, and have various implications for fracture behaviour and transitions.

  14. Heat Generation and Efficiency of a New Modified Phaco Tip and Sleeve.

    Directory of Open Access Journals (Sweden)

    Aeri Yoo

    Full Text Available To compare a modified phacoemulsification tip with the established micro tip, in terms of temperature at the corneal wound, efficiency, and chatter events, using the Centurion® Vision system.Eighty porcine eyes were randomized into 4 groups: 1sleeveless conventional 45D MiniFlared ABS® Kelman tip (1.1-mm incision; 2sleeveless new modified 45D ABS® INTREPID® balanced tip(1.1-mm incision; 3 Kelman tip with own sleeve (2.2-mm incision; 4Balanced tip with modified 4-rib sleeve (2.2-mm incision. Measurements were taken with 2 settings: longitudinal(power 40% and 70% and torsional mode (power 40% and 100%. Peak temperatures were measured 0, 10, 30, and 60 seconds after continuous ultrasound power. For the efficiency test, porcine lens nuclei were formalin soaked and cut into 2.0 mm3 cubes. Efficiency and chatter were examined.In all longitudinal settings, the sleeveless groups(1 and 2 showed lower temperatures than the sleeved groups(3 and 4 (P = 0.003. In 100% torsional mode, groups 3 and 4 produced significantly different temperatures(37.13 ± 1.44 and 35.14 ± 0.54, respectively; P = 0.007.The efficiency, in a 100% power torsional setting, was13.52 ± 2.60 sec for group 4, and 44.45± 14.75 sec for group 3 (P<0.001.The two different bare tips show no significant differences in thermogenesis. However, the balanced tip with sleeve produces lower temperaturesat100% torsional power and better efficiency than the Kelman tip.

  15. 4K Video Traffic Prediction using Seasonal Autoregressive Modeling

    Directory of Open Access Journals (Sweden)

    D. R. Marković

    2017-06-01

    Full Text Available From the perspective of average viewer, high definition video streams such as HD (High Definition and UHD (Ultra HD are increasing their internet presence year over year. This is not surprising, having in mind expansion of HD streaming services, such as YouTube, Netflix etc. Therefore, high definition video streams are starting to challenge network resource allocation with their bandwidth requirements and statistical characteristics. Need for analysis and modeling of this demanding video traffic has essential importance for better quality of service and experience support. In this paper we use an easy-to-apply statistical model for prediction of 4K video traffic. Namely, seasonal autoregressive modeling is applied in prediction of 4K video traffic, encoded with HEVC (High Efficiency Video Coding. Analysis and modeling were performed within R programming environment using over 17.000 high definition video frames. It is shown that the proposed methodology provides good accuracy in high definition video traffic modeling.

  16. Effects of Intraluminal Irradiation with Holmium-166 for TIPS Stenosis: Experimental Study in a Swine Model

    Energy Technology Data Exchange (ETDEWEB)

    Park, Ji Seon; Oh, Joo Hyeong; Kim, Deog Yoon; Park, Yong Koo; Kim, Soo Joong [Kyung Hee University Medical Center, Seoul (Korea, Republic of); Park, Sang Joon [Kang Dong Sacred Heart Hospital, Hallym University, Seoul (Korea, Republic of)

    2007-04-15

    We wanted to evaluate the effectiveness of intraluminal irradiation with Holmium-166 ({sup 166}Ho) for reducing the pseudointimal hyperplasia (PIH) in the transjugular intrahepatic portosystemic shunt (TIPS) tract in a swine model. TIPS was performed in 12 domestic pigs, after the creation of portal hypertension by intraportal injection of a mixture of N-butyl-2- cyanoacrylate (NBCA) and lipiodol. Five pigs first underwent intraluminal irradiation (30 Gy) in the parenchymal tract with using a {sup 166}Ho solution-filled balloon catheter, and this was followed by the placement of a nitinol stent in the TIPS tract. For the seven control pigs, the balloon was filled with saline and contrast media mixture. Two weeks later, follow-up portography and histological analysis were performed. TIPS was successfully performed in all twelve pigs with achieving artificially induced portal hypertension. Portography performed two weeks after TIPS showed the patent tracts in the TIPS tracts that were irradiated with {sup 166}Ho (5/5, 100%), whereas either completely (5/6, 83.3%) or partially (1/6, 16.7%) occluded TIPS were seen in the seven pigs of the nonirradiated control group, except in one pig that experienced periprocedural death due to bleeding. Histological analysis showed a statistically significant difference for the maximal PIH (irradiated: 32.8%, nonirradiated: 76.0%, p < 0.001) between the two groups. Intraluminal irradiation with 30 Gy of {sup 166}Ho for TIPS significantly improved the TIPS patency in a swine model of portal hypertension during a 2- week period of follow-up.

  17. Numerical Investigation on the Effects of Self-Excited Tip Flow Unsteadiness and Blade Row Interactions on the Performance Predictions of Low Speed and Transonic Compressor Rotors

    Science.gov (United States)

    Lee, Daniel H.

    The impact blade row interactions can have on the performance of compressor rotors has been well documented. It is also well known that rotor tip clearance flows can have a large effect on compressor performance and stall margin and recent research has shown that tip leakage flows can exhibit self-excited unsteadiness at near stall conditions. However, the impact of tip leakage flow on the performance and operating range of a compressor rotor, relative to other important flow features such as upstream stator wakes or downstream potential effects, has not been explored. To this end, a numerical investigation has been conducted to determine the effects of self-excited tip flow unsteadiness, upstream stator wakes, and downstream blade row interactions on the performance prediction of low speed and transonic compressor rotors. Calculations included a single blade-row rotor configuration as well as two multi-blade row configurations: one where the rotor was modeled with an upstream stator and a second where the rotor was modeled with a downstream stator. Steady-state and time accurate calculations were performed using a RANS solver and the results were compared with detailed experimental data obtained in the GE Low Speed Research Compressor and the Notre Dame Transonic Rig at several operating conditions including near stall. Differences in the performance predictions between the three configurations were then used to determine the effect of the upstream stator wakes and the downstream blade row interactions. Results obtained show that for both the low speed and transonic research compressors used in this investigation time-accurate RANS analysis is necessary to accurately predict the stalling character of the rotor. Additionally, for the first time it is demonstrated that capturing the unsteady tip flow can have a larger impact on rotor performance predictions than adjacent blade row interactions.

  18. The 4s24p3-4s4p4 transition in AsI-like AgXV

    International Nuclear Information System (INIS)

    Dong Chenzhong; Zhao Jinbao

    1992-01-01

    Some terms of the 4s 4p 4 configuration in RuXII, RhXIII and PdXIV ions can be improved and all the energy values of the configuration in AgXV can be predicted theoretically by means of a configuration-interaction ab initio analysis for the level structure of the 4s 4p 4 configuration along the AsI sequence of KrIV-AgXV ions. Calculations of the wavelengths and oscillator strenghts are presented for the 4s 2 4p 3 -4s 4p 4 transition in AgXV. (orig.)

  19. Prediction of crack propagation and arrest in X100 natural gas transmission pipelines with a strain rate dependent damage model (SRDD). Part 2: Large scale pipe models with gas depressurisation

    International Nuclear Information System (INIS)

    Oikonomidis, F.; Shterenlikht, A.; Truman, C.E.

    2014-01-01

    Part 1 of this paper described a specimen for the measurement of high strain rate flow and fracture properties of pipe material and for tuning a strain rate dependent damage model (SRDD). In part 2 the tuned SRDD model is used for the simulation of axial crack propagation and arrest in X100 natural gas pipelines. Linear pressure drop model was adopted behind the crack tip, and an exponential gas depressurisation model was used ahead of the crack tip. The model correctly predicted the crack initiation (burst) pressure, the crack speed and the crack arrest length. Strain rates between 1000 s −1 and 3000 s −1 immediately ahead of the crack tip are predicted, giving a strong indication that a strain rate material model is required for the structural integrity assessment of the natural gas pipelines. The models predict the stress triaxiality of about 0.65 for at least 1 m ahead of the crack tip, gradually dropping to 0.5 at distances of about 5–7 m ahead of the crack tip. Finally, the models predicted a linear drop in crack tip opening angle (CTOA) from about 11−12° at the onset of crack propagation down to 7−8° at crack arrest. Only the lower of these values agree with those reported in the literature for quasi-static measurements. This discrepancy might indicate substantial strain rate dependence in CTOA. - Highlights: • Finite element simulations of 3 burst tests of X100 pipes are detailed. • Strain rate dependent damage model, tuned on small scale X100 samples, was used. • The models correctly predict burst pressure, crack speed and crack arrest length. • The model predicts a crack length dependent critical CTOA. • The strain rate dependent damage model is verified as mesh independent

  20. Load Composition Model Workflow (BPA TIP-371 Deliverable 1A)

    Energy Technology Data Exchange (ETDEWEB)

    Chassin, David P.; Cezar, Gustavo V.; /SLAC

    2017-07-17

    This project is funded under Bonneville Power Administration (BPA) Strategic Partnership Project (SPP) 17-005 between BPA and SLAC National Accelerator Laboratory. The project in a BPA Technology Improvement Project (TIP) that builds on and validates the Composite Load Model developed by the Western Electric Coordinating Council's (WECC) Load Modeling Task Force (LMTF). The composite load model is used by the WECC Modeling and Validation Work Group to study the stability and security of the western electricity interconnection. The work includes development of load composition data sets, collection of load disturbance data, and model development and validation. This work supports reliable and economic operation of the power system. This report was produced for Deliverable 1A of the BPA TIP-371 Project entitled \\TIP 371: Advancing the Load Composition Model". The deliverable documents the proposed work ow for the Composite Load Model, which provides the basis for the instrumentation, data acquisition, analysis and data dissemination activities addressed by later phases of the project.

  1. Predictive Modeling of the CDRA 4BMS

    Science.gov (United States)

    Coker, Robert F.; Knox, James C.

    2016-01-01

    As part of NASA's Advanced Exploration Systems (AES) program and the Life Support Systems Project (LSSP), fully predictive models of the Four Bed Molecular Sieve (4BMS) of the Carbon Dioxide Removal Assembly (CDRA) on the International Space Station (ISS) are being developed. This virtual laboratory will be used to help reduce mass, power, and volume requirements for future missions. In this paper we describe current and planned modeling developments in the area of carbon dioxide removal to support future crewed Mars missions as well as the resolution of anomalies observed in the ISS CDRA.

  2. A Dual Sensor for pH and Hydrogen Peroxide Using Polymer-Coated Optical Fibre Tips.

    Science.gov (United States)

    Purdey, Malcolm S; Thompson, Jeremy G; Monro, Tanya M; Abell, Andrew D; Schartner, Erik P

    2015-12-17

    This paper demonstrates the first single optical fibre tip probe for concurrent detection of both hydrogen peroxide (H₂O₂) concentration and pH of a solution. The sensor is constructed by embedding two fluorophores: carboxyperoxyfluor-1 (CPF1) and seminaphtharhodafluor-2 (SNARF2) within a polymer matrix located on the tip of the optical fibre. The functionalised fibre probe reproducibly measures pH, and is able to accurately detect H₂O₂ over a biologically relevant concentration range. This sensor offers potential for non-invasive detection of pH and H₂O₂ in biological environments using a single optical fibre.

  3. Blade tip, finite aspect ratio, and dynamic stall effects on the Darrieus rotor

    Science.gov (United States)

    Paraschivoiu, I.; Desy, P.; Masson, C.

    1988-02-01

    The objective of the work described in this paper was to apply the Boeing-Vertol dynamic stall model in an asymmetric manner to account for the asymmetry of the flow between the left and right sides of the rotor. This phenomenon has been observed by the flow visualization of a two-straight-bladed Darrieus rotor in the IMST water tunnel. Also introduced into the aerodynamic model are the effects of the blade tip and finite aspect ratio on the aerodynamic performance of the Darrieus wind turbine. These improvements are compatible with the double-multiple-streamtube model and have been included in the CARDAAV computer code for predicting the aerodynamic performance. Very good agreement has been observed between the test data (Sandia 17 m) and theoretical predictions; a significant improvement over the previous dynamic stall model was obtained for the rotor power at low tip speed ratios, while the inclusion of the finite aspect ratio effects enhances the prediction of the rotor power for high tip speed ratios. The tip losses and finite aspect ratio effects were also calculated for a small-scale vertical-axis wind turbine, with a two-straight-bladed (NACA 0015) rotor.

  4. The validity of the potential model in predicting the structural, dynamical, thermodynamic properties of the unary and binary mixture of water-alcohol: Methanol-water case

    Science.gov (United States)

    Obeidat, Abdalla; Abu-Ghazleh, Hind

    2018-06-01

    Two intermolecular potential models of methanol (TraPPE-UA and OPLS-AA) have been used in order to examine their validity in reproducing the selected structural, dynamical, and thermodynamic properties in the unary and binary systems. These two models are combined with two water models (SPC/E and TIP4P). The temperature dependence of density, surface tension, diffusion and structural properties for the unary system has been computed over specific range of temperatures (200-300K). The very good performance of the TraPPE-UA potential model in predicting surface tension, diffusion, structure, and density of the unary system led us to examine its accuracy and performance in its aqueous solution. In the binary system the same properties were examined, using different mole fractions of methanol. The TraPPE-UA model combined with TIP4P-water shows a very good agreement with the experimental results for density and surface tension properties; whereas the OPLS-AA combined with SPCE-water shows a very agreement with experimental results regarding the diffusion coefficients. Two different approaches have been used in calculating the diffusion coefficient in the mixture, namely the Einstein equation (EE) and Green-Kubo (GK) method. Our results show the advantageous of applying GK over EE in reproducing the experimental results and in saving computer time.

  5. Modeling a gamma spectroscopy system and predicting spectra with Geant-4

    International Nuclear Information System (INIS)

    Sahin, D.; Uenlue, K.

    2009-01-01

    An activity predictor software was previously developed to foresee activities, exposure rates and gamma spectra of activated samples for Radiation Science and Engineering Center (RSEC), Penn State Breazeale Reactor (PSBR), Neutron Activation Analysis (NAA) measurements. With Activity Predictor it has been demonstrated that the predicted spectra were less than satisfactory. In order to obtain better predicted spectra, a new detailed model for the RSEC NAA spectroscopy system with High Purity Germanium (HPGe) detector is developed using Geant-4. The model was validated with a National Bureau of Standards certified 60 Co source and tree activated high purity samples at PSBR. The predicted spectra agreed well with measured spectra. Error in net photo peak area values were 8.6-33.6%. Along with the previously developed activity predictor software, this new model in Geant-4 provided realistic spectra prediction for NAA experiments at RSEC PSBR. (author)

  6. The accuracy of a 2D and 3D dendritic tip scaling parameter in predicting the columnar to equiaxed transition (CET)

    Science.gov (United States)

    Seredyński, M.; Rebow, M.; Banaszek, J.

    2016-09-01

    The dendrite tip kinetics model accuracy relies on the reliability of the stability constant used, which is usually experimentally determined for 3D situations and applied to 2D models. The paper reports authors' attempts to cure the situation by deriving 2D dendritic tip scaling parameter for aluminium-based alloy: Al-4wt%Cu. The obtained parameter is then incorporated into the KGT dendritic growth model in order to compare it with the original 3D KGT counterpart and to derive two-dimensional and three-dimensional versions of the modified Hunt's analytical model for the columnar-to-equiaxed transition (CET). The conclusions drawn from the above analysis are further confirmed through numerical calculations of the two cases of Al-4wt%Cu metallic alloy solidification using the front tracking technique. Results, including the porous zone-under-cooled liquid front position, the calculated solutal under-cooling and a new predictor of the relative tendency to form an equiaxed zone, are shown, compared and discussed two numerical cases. The necessity to calculate sufficiently precise values of the tip scaling parameter in 2D and 3D is stressed.

  7. Tip vortices in the actuator line model

    Science.gov (United States)

    Martinez, Luis; Meneveau, Charles

    2017-11-01

    The actuator line model (ALM) is a widely used tool to represent the wind turbine blades in computational fluid dynamics without the need to resolve the full geometry of the blades. The ALM can be optimized to represent the `correct' aerodynamics of the blades by choosing an appropriate smearing length scale ɛ. This appropriate length scale creates a tip vortex which induces a downwash near the tip of the blade. A theoretical frame-work is used to establish a solution to the induced velocity created by a tip vortex as a function of the smearing length scale ɛ. A correction is presented which allows the use of a non-optimal smearing length scale but still provides the downwash which would be induced using the optimal length scale. Thanks to the National Science Foundation (NSF) who provided financial support for this research via Grants IGERT 0801471, IIA-1243482 (the WINDINSPIRE project) and ECCS-1230788.

  8. A Dual Sensor for pH and Hydrogen Peroxide Using Polymer-Coated Optical Fibre Tips

    Directory of Open Access Journals (Sweden)

    Malcolm S. Purdey

    2015-12-01

    Full Text Available This paper demonstrates the first single optical fibre tip probe for concurrent detection of both hydrogen peroxide (H2O2 concentration and pH of a solution. The sensor is constructed by embedding two fluorophores: carboxyperoxyfluor-1 (CPF1 and seminaphtharhodafluor-2 (SNARF2 within a polymer matrix located on the tip of the optical fibre. The functionalised fibre probe reproducibly measures pH, and is able to accurately detect H2O2 over a biologically relevant concentration range. This sensor offers potential for non-invasive detection of pH and H2O2 in biological environments using a single optical fibre.

  9. Modeling of electrodes and implantable pulse generator cases for the analysis of implant tip heating under MR imaging

    International Nuclear Information System (INIS)

    Acikel, Volkan; Atalar, Ergin; Uslubas, Ali

    2015-01-01

    the proposed lumped circuit models. These results were compared with those from the MoM simulations. The mean square error was less than 9%. During the MRI experiments, when the IPG case was introduced, the resonance lengths were calculated to have an error less than 13%. Also the change in tip temperature rise at resonance lengths was predicted with less than 4% error. For the electrode experiments, the value of the matching impedance was predicted with an error less than 1%. Conclusions: Electrical models for the IPG case and electrode are suggested, and the method is proposed to determine the parameter values. The concept of matching of the electrode to the lead is clarified using the defined electrode impedance and the lead Thevenin impedance. The effect of the IPG case and electrode on tip heating can be predicted using the proposed theory. With these models, understanding the tissue heating due to the implants becomes easier. Also, these models are beneficial for implant safety testers and designers. Using these models, worst case conditions can be determined and the corresponding implant test experiments can be planned

  10. Influence of the tip mass on the tip-sample interactions in TM-AFM

    Energy Technology Data Exchange (ETDEWEB)

    Pishkenari, Hossein Nejat, E-mail: nejat@mech.sharif.edu [Nano-Robotics Laboratory, Center of Excellence in Design, Robotics and Automation, School of Mechanical Engineering, Sharif University of Technology, Tehran, P.O. Box 11365-9465 (Iran, Islamic Republic of); Meghdari, Ali [Nano-Robotics Laboratory, Center of Excellence in Design, Robotics and Automation, School of Mechanical Engineering, Sharif University of Technology, Tehran, P.O. Box 11365-9465 (Iran, Islamic Republic of)

    2011-07-15

    This paper focuses on the influences of the tip mass ratio (the ratio of the tip mass to the cantilever mass), on the excitation of higher oscillation eigenmodes and also on the tip-sample interaction forces in tapping mode atomic force microscopy (TM-AFM). A precise model for the cantilever dynamics capable of accurate simulations is essential for the investigation of the tip mass effects on the interaction forces. In the present work, the finite element method (FEM) is used for modeling the AFM cantilever to consider the oscillations of higher eigenmodes oscillations. In addition, molecular dynamics (MD) is used to calculate precise data for the tip-sample force as a function of tip vertical position with respect to the sample. The results demonstrate that in the presence of nonlinear tip-sample interaction forces, the tip mass ratio plays a significant role in the excitations of higher eigenmodes and also in the normal force applied on the surface. Furthermore, it has been shown that the difference between responses of the FEM and point-mass models in different system operational conditions is highly affected by the tip mass ratio. -- Highlights: {yields} A strong correlation exists between the tip mass ratio and the 18th harmonic amplitude. {yields} Near the critical tip mass ratio a small change in the tip mass may lead to a significant force change. {yields} Inaccuracy of the lumped model depends significantly on the tip mass ratio.

  11. Direct observation of microtwin formation at crack tips in InP

    International Nuclear Information System (INIS)

    Vanderschaeve, G.; Caillard, D.; Peyrade, J.P.

    1992-01-01

    This paper reports that in brittle materials which contain cracks, stress concentrations arise at crack tips. At low temperatures, when the load is increased, brittle fracture happens for a critical stress intensity factor, which is an intrinsic material property, depending on the loading mode and on the cleavage plane. At higher temperatures dislocations may be emitted at the crack tip: a plastic zone is formed, which releases the stresses and increases the critical load for crack propagation. It is generally accepted that the brittle-to ductile transition is controlled directly or indirectly by dislocation mobility. During the course of an in situ transmission electron microscopy, study of dislocation mobility in the III-V compound InP, we have observed the nucleation at a crack tip and the propagation of partial dislocations of same Burgers vectors, resulting in a microtwinning of the crystal. Such an observation provides information on both the way stress relaxation occurs and the relative mobilities of the partial dislocations in this material. In spite of the importance of twin formation on the quality of the material used as substrate in semiconducting devices, this last point is rather poorly documented

  12. Aeroelastic modeling of composite rotor blades with straight and swept tips

    Science.gov (United States)

    Yuan, Kuo-An; Friedmann, Peretz P.; Venkatesan, Comandur

    1992-01-01

    This paper presents an analytical study of the aeroelastic behavior of composite rotor blades with straight and swept tips. The blade is modeled by beam type finite elements. A single finite element is used to model the swept tip. The nonlinear equations of motion for the FEM are derived using Hamilton's principle and based on a moderate deflection theory and accounts for: arbitrary cross-sectional shape, pretwist, generally anisotropic material behavior, transverse shears and out-of-plane warping. Numerical results illustrating the effects of tip sweep, anhedral and composite ply orientation on blade aeroelastic behavior are presented. It is shown that composite ply orientation has a substantial effect on blade stability. At low thrust conditions, certain ply orientations can cause instability in the lag mode. The flap-torsion coupling associated with tip sweep can also induce aeroelastic instability in the blade. This instability can be removed by appropriate ply orientation in the composite construction. These results illustrate the inherent potential for aeroelastic tailoring present in composite rotor blades with swept tips, which still remains to be exploited in the design process.

  13. Understanding and Mitigating Tip Leakage and Endwall Losses in High Pressure Ratio Cores

    Science.gov (United States)

    Christophel, Jesse

    2015-01-01

    Reducing endwall and tip secondary flow losses will be a key enabler for the next generation of commercial and military air transport and will be an improvement on the state-of-the-art in turbine loss reduction strategies. The objective of this research is three-fold: 1) To improve understanding of endwall secondary flow and tip clearance losses 2) To develop novel technologies to mitigate these losses and test them in low-speed cascade and rig environments 3) To validate predictive tools To accomplish these objectives, Pratt & Whitney (P&W) has teamed with Pennsylvania State University (PSU) to experimentally test new features designed by P&W. P&W will create new rim-cavity features to reduce secondary flow loss and improve purge flow cooling effectiveness and new blade tip features to manage leakage flows and reduce tip leakage secondary flow loss. P&W is currently developing technologies in these two areas that expect to be assimilated in the N+2/N+3 generation of commercial engines.

  14. Crack-tip chemistry modeling of stage I stress corrosion cracking

    International Nuclear Information System (INIS)

    Jones, R.H.; Simonen, E.P.

    1991-10-01

    Stage I stress corrosion cracking usually exhibits a very strong K dependence with Paris law exponents of up to 30. 2 Model calculations indicate that the crack velocity in this regime is controlled by transport through a salt film and that the K dependence results from crack opening controlled salt film dissolution. An ionic transport model that accounts for both electromigration through the resistive salt film and Fickian diffusion through the aqueous solution was used for these predictions. Predicted crack growth rates are in excellent agreement with measured values for Ni with P segregated to the grain boundaries and tested in IN H 2 SO 4 at +900 mV. This salt film dissolution may be applicable to stage I cracking of other materials

  15. Theoretical prediction of pKa in methanol: testing SM8 and SMD models for carboxylic acids, phenols, and amines.

    Science.gov (United States)

    Miguel, Elizabeth L M; Silva, Poliana L; Pliego, Josefredo R

    2014-05-29

    Methanol is a widely used solvent for chemical reactions and has solvation properties similar to those of water. However, the performance of continuum solvation models in this solvent has not been tested yet. In this report, we have investigated the performance of the SM8 and SMD models for pKa prediction of 26 carboxylic acids, 24 phenols, and 23 amines in methanol. The gas phase contribution was included at the X3LYP/TZVPP+diff//X3LYP/DZV+P(d) level. Using the proton exchange reaction with acetic acid, phenol, and ammonia as reference species leads to RMS error in the range of 1.4 to 3.6 pKa units. This finding suggests that the performance of the continuum models for methanol is similar to that found for aqueous solvent. Application of simple empirical correction through a linear equation leads to accurate pKa prediction, with uncertainty less than 0.8 units with the SM8 method. Testing with the less expensive PBE1PBE/6-311+G** method results in a slight improvement in the results.

  16. The TIPS Liquidity Premium

    DEFF Research Database (Denmark)

    Andreasen, Martin Møller; Christensen, Jens H.E.; Simon Riddell, Simon

    We introduce an arbitrage-free term structure model of nominal and real yields that accounts for liquidity risk in Treasury inflation-protected securities (TIPS). The novel feature of our model is to identify liquidity risk from individual TIPS prices by accounting for the tendency that TIPS, lik...

  17. A Numerical Analysis of Heat Transfer and Effectiveness on Film Cooled Turbine Blade Tip Models

    Science.gov (United States)

    Ameri, A. A.; Rigby, D. L.

    1999-01-01

    A computational study has been performed to predict the distribution of convective heat transfer coefficient on a simulated blade tip with cooling holes. The purpose of the examination was to assess the ability of a three-dimensional Reynolds-averaged Navier-Stokes solver to predict the rate of tip heat transfer and the distribution of cooling effectiveness. To this end, the simulation of tip clearance flow with blowing of Kim and Metzger was used. The agreement of the computed effectiveness with the data was quite good. The agreement with the heat transfer coefficient was not as good but improved away from the cooling holes. Numerical flow visualization showed that the uniformity of wetting of the surface by the film cooling jet is helped by the reverse flow due to edge separation of the main flow.

  18. Performance analysis of wind turbines at low tip-speed ratio using the Betz-Goldstein model

    International Nuclear Information System (INIS)

    Vaz, Jerson R.P.; Wood, David H.

    2016-01-01

    Highlights: • General formulations for power and thrust at any tip-speed ratio are developed. • The Joukowsky model for the blades is modified with specific vortex distributions. • Betz-Goldstein model is shown to be the most consistent at low tip-speed ratio. • The effects of finite blade number are assessed using tip loss factors. • Tip loss for finite blade number may complicate the vortex breakdown. - Abstract: Analyzing wind turbine performance at low tip-speed ratio is challenging due to the relatively high level of swirl in the wake. This work presents a new approach to wind turbine analysis including swirl for any tip-speed ratio. The methodology uses the induced velocity field from vortex theory in the general momentum theory, in the form of the turbine thrust and torque equations. Using the constant bound circulation model of Joukowsky, the swirl velocity becomes infinite on the wake centreline even at high tip-speed ratio. Rankine, Vatistas and Delery vortices were used to regularize the Joukowsky model near the centreline. The new formulation prevents the power coefficient from exceeding the Betz-Joukowsky limit. An alternative calculation, based on the varying circulation for Betz-Goldstein optimized rotors is shown to have the best general behavior. Prandtl’s approximation for the tip loss and a recent alternative were employed to account for the effects of a finite number of blades. The Betz-Goldstein model appears to be the only one resistant to vortex breakdown immediately behind the rotor for an infinite number of blades. Furthermore, the dependence of the induced velocity on radius in the Betz-Goldstein model allows the power coefficient to remain below Betz-Joukowsky limit which does not occur for the Joukowsky model at low tip-speed ratio.

  19. Using tipping points of emotional intelligence and cognitive competencies to predict financial performance of leaders.

    Science.gov (United States)

    Boyatzis, Richard E

    2006-01-01

    Competencies have been shown to differentiate outstanding managers and leaders from their less effective counterparts. Some of the competencies related to effectiveness reflect cognitive intelligence, but many of them are behavioral manifestations of emotional intelligence. Meanwhile, the performance measures used have often been an approximation of effectiveness. A study of leaders in a multi-national, consulting company shows that the frequency with which they demonstrate a variety of competencies, as seen by others, predicts financial performance in the seven quarters following the competency assessment. This, like other studies only clarify which competencies are necessary for outstanding performance. Borrowing from complexity theory, a tipping point analysis allows examination of how much of the competency is sufficient for outstanding performance. Using the tipping point analysis shows an even greater impact of competencies on the financial performance measures of the leaders in the study. The emotional intelligence competencies constituted most (i.e., 13/14) of the validated competencies predicting financial performance.

  20. Effect of TIPS placement on portal and splanchnic arterial blood flow in 4-dimensional flow MRI

    Energy Technology Data Exchange (ETDEWEB)

    Stankovic, Zoran [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); University Medical Center Freiburg, Department of Diagnostic Radiology and Medical Physics, Freiburg (Germany); Roessle, Martin; Schultheiss, Michael [University Medical Center Freiburg, Department of Gastroenterology, Freiburg (Germany); Euringer, Wulf; Langer, Mathias [University Medical Center Freiburg, Department of Diagnostic Radiology and Medical Physics, Freiburg (Germany); Salem, Riad; Barker, Alex; Carr, James; Collins, Jeremy D. [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); Markl, Michael [Northwestern University, Department of Radiology, Feinberg School of Medicine, Chicago, IL (United States); Northwestern University, Department of Biomedical Engineering, McCormick School of Engineering, Chicago, IL (United States)

    2015-09-15

    To assess changes in portal and splanchnic arterial haemodynamics in patients undergoing transjugular intrahepatic portosystemic shunt (TIPS) using four-dimensional (4D) flow MRI, a non-invasive, non-contrast imaging technique. Eleven patients undergoing TIPS implantation were enrolled. K-t GRAPPA accelerated non-contrast 4D flow MRI of the liver vasculature was applied with acceleration factor R = 5 at 3Tesla. Flow analysis included three-dimensional (3D) blood flow visualization using time-resolved 3D particle traces and semi-quantitative flow pattern grading. Quantitative evaluation entailed peak velocities and net flows throughout the arterial and portal venous (PV) systems. MRI measurements were taken within 24 h before and 4 weeks after TIPS placement. Three-dimensional flow visualization with 4D flow MRI revealed good image quality with minor limitations in PV flow. Quantitative analysis revealed a significant increase in PV flow (562 ± 373 ml/min before vs. 1831 ± 965 ml/min after TIPS), in the hepatic artery (176 ± 132 ml/min vs. 354 ± 140 ml/min) and combined flow in splenic and superior mesenteric arteries (770 ml/min vs. 1064 ml/min). Shunt-flow assessment demonstrated stenoses in two patients confirmed and treated at TIPS revision. Four-dimensional flow MRI might have the potential to give new information about the effect of TIPS placement on hepatic perfusion. It may explain some unexpected findings in clinical observation studies. (orig.)

  1. Study of tip loss corrections using CFD rotor computations

    DEFF Research Database (Denmark)

    Shen, Wen Zhong; Zhu, Wei Jun; Sørensen, Jens Nørkær

    2014-01-01

    Tip loss correction is known to play an important role for engineering prediction of wind turbine performance. There are two different types of tip loss corrections: tip corrections on momentum theory and tip corrections on airfoil data. In this paper, we study the latter using detailed CFD...... computations for wind turbines with sharp tip. Using the technique of determination of angle of attack and the CFD results for a NordTank 500 kW rotor, airfoil data are extracted and a new tip loss function on airfoil data is derived. To validate, BEM computations with the new tip loss function are carried out...... and compared with CFD results for the NordTank 500 kW turbine and the NREL 5 MW turbine. Comparisons show that BEM with the new tip loss function can predict correctly the loading near the blade tip....

  2. Prolonged ventilation post cardiac surgery - tips and pitfalls of the prediction game

    Directory of Open Access Journals (Sweden)

    Knapik Piotr

    2011-11-01

    Full Text Available Abstract Background Few available models aim to identify patients at risk of prolonged ventilation after cardiac surgery. We compared prediction models developed in ICU in two adjacent periods of time, when significant changes were observed both in population characteristics and the perioperative management. Methods We performed a retrospective review of two cohorts of patients in our department in two subsequent time periods (July 2007 - December 2008, n = 2165; January 2009 - July 2010, n = 2192. The study was approved by the Institutional Ethics Committee and the individual patient consent was not required. Patients were divided with regard to ventilation time of more or less than 48 hours. Preoperative and procedure-related variables for prolonged ventilation were identified and multivariate logistic regression analysis was performed separately for each cohort. Results Most recent patients were older, with more co-morbidities, more frequently undergoing off-pump surgery. At the beginning of 2009 we also changed the technique of postoperative ventilation. Percentage of patients with prolonged ventilation decreased from 5.7% to 2.4% (p Conclusions Prediction models for postoperative ventilation should be regularly updated, particularly when major changes are noted in patients' demographics and surgical or anaesthetic technique.

  3. Comparison of actual vacuum pressures at the end of 3 phacoemulsification tips in swine eyes.

    Science.gov (United States)

    Park, Sang Hoon; Choi, Chul Young; Kim, Joon Mo; Chang, Hae Ran; Kim, Jae Yong; Kim, Myoung Joon; Tchah, Hungwon; Kim, Jae Chan

    2009-05-01

    To compare the actual vacuum pressure at the end of an aspiration bypass system (ABS) phaco tip and a conventional tip in conditions similar to those during human cataract surgery. Kangbuk Samsung Hospital, Seoul, Korea. A 4.0 mm diameter rubber eraser ball was inserted in a phacoemulsified swine eye and engaged to a phaco tip. With a vacuum pressure of 300 mm Hg, the eraser ball was pulled in the opposite direction with the phaco tip. The pulling power separating the eraser ball from the phaco tip was measured using the volume of water dripped into a container connected to the eraser ball. Measurements were taken with an Infiniti ABS tip and 2 conventional tips: Sovereign (conventional tip S) and Infiniti (conventional tip I). Measurements were taken alternatively at random in the same eye. The mean pulling power was 17.35 mL +/- 5.01 (SD) with conventional tip S and 16.85 +/- 4.45 mL with conventional tip I. The mean pulling power of the ABS tip was 13.35 +/- 4.32 mL, which was a mean 20.8% lower than that of conventional tip I (P = .016) and 23.1% lower than that of conventional tip S (P = .010). The actual vacuum pressure of the phaco tip was significantly influenced by the presence of the ABS hole. To compensate for the decrease in actual vacuum pressure, surgeons should be aware of the characteristics of the ABS tip being used and change the standard settings accordingly.

  4. Predicting the safety and efficacy of buffer therapy to raise tumour pHe: an integrative modelling study

    Science.gov (United States)

    Martin, N K; Robey, I F; Gaffney, E A; Gillies, R J; Gatenby, R A; Maini, P K

    2012-01-01

    Background: Clinical positron emission tomography imaging has demonstrated the vast majority of human cancers exhibit significantly increased glucose metabolism when compared with adjacent normal tissue, resulting in an acidic tumour microenvironment. Recent studies demonstrated reducing this acidity through systemic buffers significantly inhibits development and growth of metastases in mouse xenografts. Methods: We apply and extend a previously developed mathematical model of blood and tumour buffering to examine the impact of oral administration of bicarbonate buffer in mice, and the potential impact in humans. We recapitulate the experimentally observed tumour pHe effect of buffer therapy, testing a model prediction in vivo in mice. We parameterise the model to humans to determine the translational safety and efficacy, and predict patient subgroups who could have enhanced treatment response, and the most promising combination or alternative buffer therapies. Results: The model predicts a previously unseen potentially dangerous elevation in blood pHe resulting from bicarbonate therapy in mice, which is confirmed by our in vivo experiments. Simulations predict limited efficacy of bicarbonate, especially in humans with more aggressive cancers. We predict buffer therapy would be most effectual: in elderly patients or individuals with renal impairments; in combination with proton production inhibitors (such as dichloroacetate), renal glomular filtration rate inhibitors (such as non-steroidal anti-inflammatory drugs and angiotensin-converting enzyme inhibitors), or with an alternative buffer reagent possessing an optimal pK of 7.1–7.2. Conclusion: Our mathematical model confirms bicarbonate acts as an effective agent to raise tumour pHe, but potentially induces metabolic alkalosis at the high doses necessary for tumour pHe normalisation. We predict use in elderly patients or in combination with proton production inhibitors or buffers with a pK of 7.1–7.2 is most

  5. Predicting the safety and efficacy of buffer therapy to raise tumour pHe: an integrative modelling study.

    Science.gov (United States)

    Martin, N K; Robey, I F; Gaffney, E A; Gillies, R J; Gatenby, R A; Maini, P K

    2012-03-27

    Clinical positron emission tomography imaging has demonstrated the vast majority of human cancers exhibit significantly increased glucose metabolism when compared with adjacent normal tissue, resulting in an acidic tumour microenvironment. Recent studies demonstrated reducing this acidity through systemic buffers significantly inhibits development and growth of metastases in mouse xenografts. We apply and extend a previously developed mathematical model of blood and tumour buffering to examine the impact of oral administration of bicarbonate buffer in mice, and the potential impact in humans. We recapitulate the experimentally observed tumour pHe effect of buffer therapy, testing a model prediction in vivo in mice. We parameterise the model to humans to determine the translational safety and efficacy, and predict patient subgroups who could have enhanced treatment response, and the most promising combination or alternative buffer therapies. The model predicts a previously unseen potentially dangerous elevation in blood pHe resulting from bicarbonate therapy in mice, which is confirmed by our in vivo experiments. Simulations predict limited efficacy of bicarbonate, especially in humans with more aggressive cancers. We predict buffer therapy would be most effectual: in elderly patients or individuals with renal impairments; in combination with proton production inhibitors (such as dichloroacetate), renal glomular filtration rate inhibitors (such as non-steroidal anti-inflammatory drugs and angiotensin-converting enzyme inhibitors), or with an alternative buffer reagent possessing an optimal pK of 7.1-7.2. Our mathematical model confirms bicarbonate acts as an effective agent to raise tumour pHe, but potentially induces metabolic alkalosis at the high doses necessary for tumour pHe normalisation. We predict use in elderly patients or in combination with proton production inhibitors or buffers with a pK of 7.1-7.2 is most promising.

  6. Metabolic regio- and stereoselectivity of cytochrome P450 2D6 towards 3,4-methylenedioxy-N-alkylamphetamines : in silico predictions and experimental validation

    NARCIS (Netherlands)

    Keizers, P.H.J.; de Graaf, C.; de Kanter, F.J.J.; Oostenbrink, B.C.; Feenstra, K.A.; Commandeur, J.N.M.; Vermeulen, N.P.E.

    2005-01-01

    A series of 3,4-methylenedioxy-N-alkylamphetamines (MDAAs) were automatically docked and subjected to molecular dynamics (MD) simulations in a cytochrome P450 2D6 (CYP2D6) protein model. The predicted substrate binding orientations, sites of oxidation, and relative reactivities were compared to the

  7. On short cracks that depart from elastoplastic notch tips

    Directory of Open Access Journals (Sweden)

    Verônica Miquelin Machado

    2017-07-01

    Full Text Available The behavior of short cracks that depart from elastoplastic notch tips is modeled to estimate the stresses required to initiate and to propagate cracks in notched structural components, and to evaluate the size of tolerable crack-like defects under general loading conditions. This analysis can model both fatigue and environmentally assisted cracking problems; can evaluate notch sensitivity in both cases; and can as well be used to establish design or acceptance criteria for tolerable non-propagating crack-like defects in such cases. The growth of short cracks is assumed driven by the applied stresses and by the stress gradient ahead the notch tip, and supported by the material resistances to crack initiation and to long crack propagation by fatigue or EAC. In the elastoplastic case, the stress gradient ahead of the notch tip is quantified by a J-field to consider the short crack behavior. The tolerable short crack predictions made by this model are evaluated by suitable fatigue and EAC tests of notched specimens specially designed to start nonpropagating cracks from the notch tips, both under elastic and elastoplastic conditions.

  8. Behavior of Fatigue Crack Tip Opening in Air and Corrosive Atmosphere

    Science.gov (United States)

    Hayashi, Morihito; Toeda, Kazunori

    In the study, a formula for predicting fatigue crack tip opening displacement is deduced firstly. And then, due to comparing actual crack growth rate with the deduced formula, the crack tip configuration factor is defined to figure out the crack tip opening configuration that is useful to clarify the behavior of fatigue crack tip formation apparently. Applying the concept, the crack growth of 7/3 brass and 6/4 brass is predicted from the formula, by replacing material properties such as plastic flow resistance, Young modulus, the Poisson ratio, and fatigue toughness, and fatigue test conditions such as the stress intensity factor range, the load ratio, and cycle frequency. Furthermore, the theoretically expected results are verified with the fatigue tests which were carried out on CT specimens under different load conditions of load ratio, cycle frequency, and cyclic peak load, in different environments of air or corrosive ammonia atmosphere, for various brasses. And by comparing and discussing the calculated crack growth rate with attained experimental results, the apparent configuration factor at the crack tip is determined. And through the attained factor which changes along with crack growth, the behaviors of fatigue crack tip formation under different test conditions have been found out.

  9. Dual-Source Linear Energy Prediction (LINE-P) Model in the Context of WSNs.

    Science.gov (United States)

    Ahmed, Faisal; Tamberg, Gert; Le Moullec, Yannick; Annus, Paul

    2017-07-20

    Energy harvesting technologies such as miniature power solar panels and micro wind turbines are increasingly used to help power wireless sensor network nodes. However, a major drawback of energy harvesting is its varying and intermittent characteristic, which can negatively affect the quality of service. This calls for careful design and operation of the nodes, possibly by means of, e.g., dynamic duty cycling and/or dynamic frequency and voltage scaling. In this context, various energy prediction models have been proposed in the literature; however, they are typically compute-intensive or only suitable for a single type of energy source. In this paper, we propose Linear Energy Prediction "LINE-P", a lightweight, yet relatively accurate model based on approximation and sampling theory; LINE-P is suitable for dual-source energy harvesting. Simulations and comparisons against existing similar models have been conducted with low and medium resolutions (i.e., 60 and 22 min intervals/24 h) for the solar energy source (low variations) and with high resolutions (15 min intervals/24 h) for the wind energy source. The results show that the accuracy of the solar-based and wind-based predictions is up to approximately 98% and 96%, respectively, while requiring a lower complexity and memory than the other models. For the cases where LINE-P's accuracy is lower than that of other approaches, it still has the advantage of lower computing requirements, making it more suitable for embedded implementation, e.g., in wireless sensor network coordinator nodes or gateways.

  10. Thermoelectric voltage at a nanometer-scale heated tip point contact

    Science.gov (United States)

    Fletcher, Patrick C.; Lee, Byeonghee; King, William P.

    2012-01-01

    We report thermoelectric voltage measurements between the platinum-coated tip of a heated atomic force microscope (AFM) cantilever and a gold-coated substrate. The cantilevers have an integrated heater-thermometer element made from doped single crystal silicon, and a platinum tip. The voltage can be measured at the tip, independent from the cantilever heating. We used the thermocouple junction between the platinum tip and the gold substrate to measure thermoelectric voltage during heating. Experiments used either sample-side or tip-side heating, over the temperature range 25-275 °C. The tip-substrate contact is ˜4 nm in diameter and its average measured Seebeck coefficient is 3.4 μV K-1. The thermoelectric voltage is used to determine tip-substrate interface temperature when the substrate is either glass or quartz. When the non-dimensional cantilever heater temperature is 1, the tip-substrate interface temperature is 0.593 on glass and 0.125 on quartz. Thermal contact resistance between the tip and the substrate heavily influences the tip-substrate interface temperature. Measurements agree well with modeling when the tip-substrate interface contact resistance is 108 K W-1.

  11. MELD Score as a Predictor of Early Death in Patients Undergoing Elective Transjugular Intrahepatic Portosystemic Shunt (TIPS) Procedures

    International Nuclear Information System (INIS)

    Montgomery, Aaron; Ferral, Hector; Vasan, Rajiv; Postoak, Darren W.

    2005-01-01

    Purpose. To Evaluate the MELD score as a predictor of 30-day mortality in patients undergoing elective TIPS procedures. Methods. This was a retrospective, IRB-approved study. The medical records of all patients who underwent a TIPS procedure between May 1, 1999 and June 1, 2003 in a single institution were reviewed. Patients who underwent elective TIPS were selected. Elective TIPS was performed in 119 patients with a mean age of 55.1 (± 9.6) years. The MELD and Child-Pugh scores before TIPS, etiology of cirrhosis, portosystemic gradients before and after TIPS, procedure time, and procedural complications were obtained from the medical records. The MELD and Child-Pugh scores before TIPS were compared between the survivor group (SG) and the early death (EDG) group. The early death rate was calculated for MELD score subgroups (1-10, 11-17, 18-24, and >24). Data were analyzed using the Fisher exact test, chi-square test and independent-sample t-test. A p value of less than 0.05 was considered significant. Results. Technical success rate was 100%. The early death rate was 10.9% (13/119). The mean MELD scores before TIPS were 19.4 (± 5.9) (EDG) and 14 (± 4.2) (SG) (p = 0.025). The early death rate was highest in the pre-TIPS MELD > 24 subgroup. The Child-Pugh scores were 9.0 (± 1.6) (SG) and 9.8 ± 1.06 (EDG) (p 0.08). The mean portosystemic gradients before TIPS were 20.5 (± 7.7) mmHg (EDG) and 22.7 (± 7.3) (SG) (p > 1) and the mean portosystemic gradients after TIPS were 6.5 (± 3.5) (EDG) and 6.9 (± 2.4) (SG) (p > 1). The mean procedural times were 95.6 (± 8.4) min (EDG) and 89.2 (± 7.5) min (SG) (p > 1). No early death was attributed to a fatal complication during TIPS. Conclusion. The MELD score is useful in identifying patients at a higher risk of early death after an elective TIPS. On the basis of our results, we do not endorse elective TIPS in patients with MELD scores > 24

  12. Tip60 degradation by adenovirus relieves transcriptional repression of viral transcriptional activator EIA.

    Science.gov (United States)

    Gupta, A; Jha, S; Engel, D A; Ornelles, D A; Dutta, A

    2013-10-17

    Adenoviruses are linear double-stranded DNA viruses that infect human and rodent cell lines, occasionally transform them and cause tumors in animal models. The host cell challenges the virus in multifaceted ways to restrain viral gene expression and DNA replication, and sometimes even eliminates the infected cells by programmed cell death. To combat these challenges, adenoviruses abrogate the cellular DNA damage response pathway. Tip60 is a lysine acetyltransferase that acetylates histones and other proteins to regulate gene expression, DNA damage response, apoptosis and cell cycle regulation. Tip60 is a bona fide tumor suppressor as mice that are haploid for Tip60 are predisposed to tumors. We have discovered that Tip60 is degraded by adenovirus oncoproteins EIB55K and E4orf6 by a proteasome-mediated pathway. Tip60 binds to the immediate early adenovirus promoter and suppresses adenovirus EIA gene expression, which is a master regulator of adenovirus transcription, at least partly through retention of the virally encoded repressor pVII on this promoter. Thus, degradation of Tip60 by the adenoviral early proteins is important for efficient viral early gene transcription and for changes in expression of cellular genes.

  13. A lifting line model to investigate the influence of tip feathers on wing performance

    International Nuclear Information System (INIS)

    Fluck, M; Crawford, C

    2014-01-01

    Bird wings have been studied as prototypes for wing design since the beginning of aviation. Although wing tip slots, i.e. wings with distinct gaps between the tip feathers (primaries), are very common in many birds, only a few studies have been conducted on the benefits of tip feathers on the wing's performance, and the aerodynamics behind tip feathers remains to be understood. Consequently most aircraft do not yet copy this feature. To close this knowledge gap an extended lifting line model was created to calculate the lift distribution and drag of wings with tip feathers. With this model, is was easily possible to combine several lifting surfaces into various different birdwing-like configurations. By including viscous drag effects, good agreement with an experimental tip slotted reference case was achieved. Implemented in C++ this model resulted in computation times of less than one minute per wing configuration on a standard notebook computer. Thus it was possible to analyse the performance of over 100 different wing configurations with and without tip feathers. While generally an increase in wing efficiency was obtained by splitting a wing tip into distinct, feather-like winglets, the best performance was generally found when spreading more feathers over a larger dihedral angle out of the wing plane. However, as the results were very sensitive to the precise geometry of the feather fan (especially feather twist) a careless set-up could just as easily degrade performance. Hence a detailed optimization is recommended to realize the full benefits by simultaneously optimizing feather sweep, twist and dihedral angles. (paper)

  14. Diverse models for the prediction of CDK4 inhibitory activity of ...

    Indian Academy of Sciences (India)

    employed for development of models for the prediction of CDK4 inhibitory activity using a dataset comprising of 52 analogues of ... index; molecular connectivity index; connective eccentricity topochemical index. 1. ... 80% of human cancers.

  15. Compound parabolic concentrator optical fiber tip for FRET-based fluorescent sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren

    2015-01-01

    The Compound Parabolic Concentrator (CPC) optical fiber tip shape has been proposed for intensity based fluorescent sensors working on the principle of FRET (Förster Resonance Energy Transfer). A simple numerical Zemax model has been used to optimize the CPC tip geometry for a step-index multimode...... polymer optical fiber for an excitation and emission wavelength of 550 nm and 650nm, respectively. The model suggests an increase of a factor of 1.6 to 4 in the collected fluorescent power for an ideal CPC tip, as compared to the plane-cut fiber tip for fiber lengths between 5 and 45mm...

  16. TIPS bilateral noise reduction in 4D CT perfusion scans produces high-quality cerebral blood flow maps

    Energy Technology Data Exchange (ETDEWEB)

    Mendrik, Adrienne M; Van Ginneken, Bram; Viergever, Max A [Image Sciences Institute, University Medical Center Utrecht, Heidelberglaan 100, 3584 CX Utrecht (Netherlands); Vonken, Evert-jan; De Jong, Hugo W; Riordan, Alan; Van Seeters, Tom; Smit, Ewoud J; Prokop, Mathias, E-mail: a.m.mendrik@gmail.com [Radiology Department, University Medical Center Utrecht, Heidelberglaan 100, 3584 CX Utrecht (Netherlands)

    2011-07-07

    Cerebral computed tomography perfusion (CTP) scans are acquired to detect areas of abnormal perfusion in patients with cerebrovascular diseases. These 4D CTP scans consist of multiple sequential 3D CT scans over time. Therefore, to reduce radiation exposure to the patient, the amount of x-ray radiation that can be used per sequential scan is limited, which results in a high level of noise. To detect areas of abnormal perfusion, perfusion parameters are derived from the CTP data, such as the cerebral blood flow (CBF). Algorithms to determine perfusion parameters, especially singular value decomposition, are very sensitive to noise. Therefore, noise reduction is an important preprocessing step for CTP analysis. In this paper, we propose a time-intensity profile similarity (TIPS) bilateral filter to reduce noise in 4D CTP scans, while preserving the time-intensity profiles (fourth dimension) that are essential for determining the perfusion parameters. The proposed TIPS bilateral filter is compared to standard Gaussian filtering, and 4D and 3D (applied separately to each sequential scan) bilateral filtering on both phantom and patient data. Results on the phantom data show that the TIPS bilateral filter is best able to approach the ground truth (noise-free phantom), compared to the other filtering methods (lowest root mean square error). An observer study is performed using CBF maps derived from fifteen CTP scans of acute stroke patients filtered with standard Gaussian, 3D, 4D and TIPS bilateral filtering. These CBF maps were blindly presented to two observers that indicated which map they preferred for (1) gray/white matter differentiation, (2) detectability of infarcted area and (3) overall image quality. Based on these results, the TIPS bilateral filter ranked best and its CBF maps were scored to have the best overall image quality in 100% of the cases by both observers. Furthermore, quantitative CBF and cerebral blood volume values in both the phantom and the

  17. Numerical study on tip clearance effect on performance of a centrifugal compressor

    International Nuclear Information System (INIS)

    Eum, Hark Jin; Kang, Shin Kyoung

    2003-01-01

    Effect of tip leakage flow on through flow and performance of a centrifugal compressor impeller was numerically studied using CFX-TASCflow. Seven different tip clearances were used to consider the influence of tip clearance on performance. Secondary flow and loss factor were evaluated to understand the loss mechanism inside the impeller due to tip leakage flow. The calculated results were circumferentially averaged along the passage and at the impeller exit for quantitative discussion. Tip clearance effect on performance could be decomposed into inviscid and viscous components using one dimensional equation. The inviscid component is related with the specific work reduction and the viscous component is related with the additional entropy generation. Two components affected performance equally, while efficiency drop was mainly influenced by viscous loss. Performance and efficiency drop due to tip clearance were proportional to the ratio of tip clearance to exit blade height. A simple model suggested in the present study predict performance and efficiency drop quite successfully

  18. Gradual approach to refinement of the nasal tip: surgical results

    Directory of Open Access Journals (Sweden)

    Thiago Bittencourt Ottoni de Carvalho

    2015-02-01

    Full Text Available Introduction: The complexity of the nasal tip structures and the impact of surgical maneuvers make the prediction of the final outcome very difficult. Therefore, no single technique is enough to correct the several anatomical presentations, and adequate preoperative planning represents the basis of rhinoplasty. Objective: To present results of rhinoplasty, through the gradual surgical approach to nasal tip definition based on anatomical features, and to evaluate the degree of patient satisfaction after the surgical procedure. Methods: Longitudinal retrospective cohort study of the medical charts of 533 patients of both genders who underwent rhinoplasty from January of 2005 to January of 2012 was performed. Cases were allocated into seven groups: (1 no surgery on nasal tip; (2 interdomal breakup; (3 cephalic trim; (4 domal suture; (5 shield-shaped graft; (6 vertical dome division; (7 replacement of lower lateral cartilages. Results: Group 4 was the most prevalent. The satisfaction rate was 96% and revision surgery occurred in 4% of cases. Conclusion: The protocol used allowed the implementation of a gradual surgical approach to nasal tip definition with the nasal anatomical characteristics, high rate of patient satisfaction with the surgical outcome, and low rate of revision.

  19. Analytical Model of the Nonlinear Dynamics of Cantilever Tip-Sample Surface Interactions for Various Acoustic-Atomic Force Microscopies

    Science.gov (United States)

    Cantrell, John H., Jr.; Cantrell, Sean A.

    2008-01-01

    A comprehensive analytical model of the interaction of the cantilever tip of the atomic force microscope (AFM) with the sample surface is developed that accounts for the nonlinearity of the tip-surface interaction force. The interaction is modeled as a nonlinear spring coupled at opposite ends to linear springs representing cantilever and sample surface oscillators. The model leads to a pair of coupled nonlinear differential equations that are solved analytically using a standard iteration procedure. Solutions are obtained for the phase and amplitude signals generated by various acoustic-atomic force microscope (A-AFM) techniques including force modulation microscopy, atomic force acoustic microscopy, ultrasonic force microscopy, heterodyne force microscopy, resonant difference-frequency atomic force ultrasonic microscopy (RDF-AFUM), and the commonly used intermittent contact mode (TappingMode) generally available on AFMs. The solutions are used to obtain a quantitative measure of image contrast resulting from variations in the Young modulus of the sample for the amplitude and phase images generated by the A-AFM techniques. Application of the model to RDF-AFUM and intermittent soft contact phase images of LaRC-cp2 polyimide polymer is discussed. The model predicts variations in the Young modulus of the material of 24 percent from the RDF-AFUM image and 18 percent from the intermittent soft contact image. Both predictions are in good agreement with the literature value of 21 percent obtained from independent, macroscopic measurements of sheet polymer material.

  20. Clinical Prediction Model and Tool for Assessing Risk of Persistent Pain After Breast Cancer Surgery

    DEFF Research Database (Denmark)

    Meretoja, Tuomo J; Andersen, Kenneth Geving; Bruce, Julie

    2017-01-01

    are missing. The aim was to develop a clinically applicable risk prediction tool. Methods The prediction models were developed and tested using three prospective data sets from Finland (n = 860), Denmark (n = 453), and Scotland (n = 231). Prediction models for persistent pain of moderate to severe intensity......), high body mass index ( P = .039), axillary lymph node dissection ( P = .008), and more severe acute postoperative pain intensity at the seventh postoperative day ( P = .003) predicted persistent pain in the final prediction model, which performed well in the Danish (ROC-AUC, 0.739) and Scottish (ROC......-AUC, 0.740) cohorts. At the 20% risk level, the model had 32.8% and 47.4% sensitivity and 94.4% and 82.4% specificity in the Danish and Scottish cohorts, respectively. Conclusion Our validated prediction models and an online risk calculator provide clinicians and researchers with a simple tool to screen...

  1. Aerodynamic interaction effects of tip-mounted propellers installed on the horizontal tailplane

    NARCIS (Netherlands)

    van Arnhem, N.; Sinnige, T.; Stokkermans, T.C.A.; Eitelberg, G.; Veldhuis, L.L.M.

    2018-01-01

    <p>This paper addresses the effects of propeller installation on the aerodynamic performance of a tailplane featuring tip-mounted propellers. A model of a low aspect ratio tailplane equipped with an elevator and a tip-mounted propeller was installed in a low-speed wind-tunnel. Measurements were

  2. More accurate X-ray scattering data of deeply supercooled bulk liquid water

    Energy Technology Data Exchange (ETDEWEB)

    Neuefeind, Joerg C [ORNL; Benmore, Chris J [Argonne National Laboratory (ANL); Weber, Richard [Argonne National Laboratory (ANL); Paschek, Dietmar [Rostock University, Rostock, Germany

    2011-01-01

    Deeply supercooled water droplets held container-less in an acoustic levitator are investigated with high energy X-ray scattering. The temperature dependence X-ray structure function is found to be non-linear. Comparison with two popular computer models reveals that structural changes are predicted too abrupt by the TIP5P model, while the rate of change predicted by TIP4P is in much better agreement with experiment. The abrupt structural changes predicted by the TIP5P model to occur in the temperature range between 260-240K as water approaches the homogeneous nucleation limit are unrealistic. Both models underestimate the distance between neighbouring oxygen atoms and overestimate the sharpness of the OO distance distribution, indicating that the strength of the H-bond is overestimated in these models.

  3. Effect of external pH on the cytoplasmic and vacuolar pHs in Mung bean root-tip cells

    International Nuclear Information System (INIS)

    Torimitsu, Keiichi; Yazaki, Yoshiaki; Nagasuka, Kinuyo; Ohta, Eiji; Sakata, Makoto

    1984-01-01

    The effect of the external pH on the intracellular pH in mung bean (Vigna mungo (L.) Hepper) root-tip cells was investigated with the 31 P nuclear magnetic resonance (NMR) method. The 31 P NMR spectra showed three peaks caused by cytoplasmic G-6-P, cytoplasmic Psub(i) and vacuolar Psub(i). The cytoplasmic and vacuolar pHs could be determined by comparing the Psub(i) chemical shifts with the titration curve. When the external pH was changed over a range from pH 3 to 10, the cytoplasmic pH showed smaller changes than the vacuolar pH, suggesting that the former is regulated more strictly than the latter. The H + -ATPase inhibitor, DCCD, caused the breakdown of the mechanism that regulates the intracellular pH. H + -ATPase appears to have an important part in the regulation of the intracellular pH. (author)

  4. Estimating cross-validatory predictive p-values with integrated importance sampling for disease mapping models.

    Science.gov (United States)

    Li, Longhai; Feng, Cindy X; Qiu, Shi

    2017-06-30

    An important statistical task in disease mapping problems is to identify divergent regions with unusually high or low risk of disease. Leave-one-out cross-validatory (LOOCV) model assessment is the gold standard for estimating predictive p-values that can flag such divergent regions. However, actual LOOCV is time-consuming because one needs to rerun a Markov chain Monte Carlo analysis for each posterior distribution in which an observation is held out as a test case. This paper introduces a new method, called integrated importance sampling (iIS), for estimating LOOCV predictive p-values with only Markov chain samples drawn from the posterior based on a full data set. The key step in iIS is that we integrate away the latent variables associated the test observation with respect to their conditional distribution without reference to the actual observation. By following the general theory for importance sampling, the formula used by iIS can be proved to be equivalent to the LOOCV predictive p-value. We compare iIS and other three existing methods in the literature with two disease mapping datasets. Our empirical results show that the predictive p-values estimated with iIS are almost identical to the predictive p-values estimated with actual LOOCV and outperform those given by the existing three methods, namely, the posterior predictive checking, the ordinary importance sampling, and the ghosting method by Marshall and Spiegelhalter (2003). Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  5. Mode I and mixed mode crack-tip fields in strain gradient plasticity

    DEFF Research Database (Denmark)

    Goutianos, Stergios

    2011-01-01

    Strain gradients develop near the crack-tip of Mode I or mixed mode cracks. A finite strain version of the phenomenological strain gradient plasticity theory of Fleck–Hutchinson (2001) is used here to quantify the effect of the material length scales on the crack-tip stress field for a sharp...... stationary crack under Mode I and mixed mode loading. It is found that for material length scales much smaller than the scale of the deformation gradients, the predictions converge to conventional elastic–plastic solutions. For length scales sufficiently large, the predictions converge to elastic solutions....... Thus, the range of length scales over which a strain gradient plasticity model is necessary is identified. The role of each of the three material length scales, incorporated in the multiple length scale theory, in altering the near-tip stress field is systematically studied in order to quantify...

  6. Crossed molecular beam-tunable laser determination of velocity dependence of intramultiplet mixing: K(4p2P1/2)+He →K(4p2P3/2)+He

    International Nuclear Information System (INIS)

    Anderson, R.W.; Goddard, T.P.; Parravano, C.; Warner, J.

    1976-01-01

    The velocity dependence of intramultiplet mixing, K(4p 2 P 1 / 2 ) +He→K(4p 2 P 3 / 2 )+He, has been measured over the relative velocity range v=1.3--3.4 km/sec. The cross section appears to fit a linear function Q (v) =A (v-v 0 ), where a=6.3 x 10 -4 A 2 and v 0 = 7.9 x 10 4 cm/sec. The value of A is obtained by normalization to the literature thermal average cross section. The intramultiplet mixing theory of Nikitin is modified to yield Q (v) for the process. The modified theory correctly exhibits detailed balancing, and it is normalized to provide a very good fit to the observed Q (v). The magnitude of the normalization factor, however, is larger than that predicted from recent pseudopotential calculations of the excited state potentials. The temperature dependence of intramultiplet mixing is predicted. The use of laser polarization to determine the m/subj/ dependence of the process K(4p 2 P 3 / 2 +He→K(4p 2 P 1 / 2 )+He and other collision processes of excited 2 P 3 / 2 states is examined

  7. A pilot study to assess adductor canal catheter tip migration in a cadaver model.

    Science.gov (United States)

    Leng, Jody C; Harrison, T Kyle; Miller, Brett; Howard, Steven K; Conroy, Myles; Udani, Ankeet; Shum, Cynthia; Mariano, Edward R

    2015-04-01

    An adductor canal catheter may facilitate early ambulation after total knee arthroplasty, but there is concern over preoperative placement since intraoperative migration of catheters may occur from surgical manipulation and result in ineffective analgesia. We hypothesized that catheter type and subcutaneous tunneling may influence tip migration for preoperatively inserted adductor canal catheters. In a male unembalmed human cadaver, 20 catheter insertion trials were divided randomly into one of four groups: flexible epidural catheter either tunneled or not tunneled; or rigid stimulating catheter either tunneled or not tunneled. Intraoperative patient manipulation was simulated by five range-of-motion exercises of the knee. Distance and length measurements were performed by a blinded regional anesthesiologist. Changes in catheter tip to nerve distance (p = 0.225) and length of catheter within the adductor canal (p = 0.467) were not different between the four groups. Two of five non-tunneled stimulating catheters (40 %) were dislodged compared to 0/5 in all other groups (p = 0.187). A cadaver model may be useful for assessing migration of regional anesthesia catheters; catheter type and subcutaneous tunneling may not affect migration of adductor canal catheters based on this preliminary study. However, future studies involving a larger sample size, actual patients, and other catheter types are warranted.

  8. Validation of the 4P's Plus screen for substance use in pregnancy validation of the 4P's Plus.

    Science.gov (United States)

    Chasnoff, I J; Wells, A M; McGourty, R F; Bailey, L K

    2007-12-01

    The purpose of this study is to validate the 4P's Plus screen for substance use in pregnancy. A total of 228 pregnant women enrolled in prenatal care underwent screening with the 4P's Plus and received a follow-up clinical assessment for substance use. Statistical analyses regarding reliability, sensitivity, specificity, and positive and negative predictive validity of the 4Ps Plus were conducted. The overall reliability for the five-item measure was 0.62. Seventy-four (32.5%) of the women had a positive screen. Sensitivity and specificity were very good, at 87 and 76%, respectively. Positive predictive validity was low (36%), but negative predictive validity was quite high (97%). Of the 31 women who had a positive clinical assessment, 45% were using less than 1 day per week. The 4P's Plus reliably and effectively screens pregnant women for risk of substance use, including those women typically missed by other perinatal screening methodologies.

  9. Prediction of Mortality after Emergent Transjugular Intrahepatic Portosystemic Shunt Placement: Use of APACHE II, Child-Pugh and MELD Scores in Asian Patients with Refractory Variceal Hemorrhage

    Energy Technology Data Exchange (ETDEWEB)

    Tzeng, Wen Sheng; Wu, Reng Hong; Lin, Ching Yih; Chen, Jyh Jou; Sheu, Ming Juen; Koay, Lok Beng; Lee, Chuan [Chi-Mei Foundation Medical Center, Tainan (China)

    2009-10-15

    This study was designed to determine if existing methods of grading liver function that have been developed in non-Asian patients with cirrhosis can be used to predict mortality in Asian patients treated for refractory variceal hemorrhage by the use of the transjugular intrahepatic portosystemic shunt (TIPS) procedure. Data for 107 consecutive patients who underwent an emergency TIPS procedure were retrospectively analyzed. Acute physiology and chronic health evaluation (APACHE II), Child-Pugh and model for end-stage liver disease (MELD) scores were calculated. Survival analyses were performed to evaluate the ability of the various models to predict 30-day, 60-day and 360-day mortality. The ability of stratified APACHE II, Child-Pugh, and MELD scores to predict survival was assessed by the use of Kaplan-Meier analysis with the log-rank test. No patient died during the TIPS procedure, but 82 patients died during the follow-up period. Thirty patients died within 30 days after the TIPS procedure; 37 patients died within 60 days and 53 patients died within 360 days. Univariate analysis indicated that hepatorenal syndrome, use of inotropic agents and mechanical ventilation were associated with elevated 30-day mortality (p < 0.05). Multivariate analysis showed that a Child-Pugh score > 11 or an MELD score > 20 predicted increased risk of death at 30, 60 and 360 days (p < 0.05). APACHE II scores could only predict mortality at 360 days (p < 0.05). A Child-Pugh score > 11 or an MELD score > 20 are predictive of mortality in Asian patients with refractory variceal hemorrhage treated with the TIPS procedure. An APACHE II score is not predictive of early mortality in this patient population.

  10. Fe65 is required for Tip60-directed histone H4 acetylation at DNA strand breaks

    Science.gov (United States)

    Stante, Maria; Minopoli, Giuseppina; Passaro, Fabiana; Raia, Maddalena; Vecchio, Luigi Del; Russo, Tommaso

    2009-01-01

    Fe65 is a binding partner of the Alzheimer's β-amyloid precursor protein APP. The possible involvement of this protein in the cellular response to DNA damage was suggested by the observation that Fe65 null mice are more sensitive to genotoxic stress than WT counterpart. Fe65 associated with chromatin under basal conditions and its involvement in DNA damage repair requires this association. A known partner of Fe65 is the histone acetyltransferase Tip60. Considering the crucial role of Tip60 in DNA repair, we explored the hypothesis that the phenotype of Fe65 null cells depended on its interaction with Tip60. We demonstrated that Fe65 knockdown impaired recruitment of Tip60-TRRAP complex to DNA double strand breaks and decreased histone H4 acetylation. Accordingly, the efficiency of DNA repair was decreased upon Fe65 suppression. To explore whether APP has a role in this mechanism, we analyzed a Fe65 mutant unable to bind to APP. This mutant failed to rescue the phenotypes of Fe65 null cells; furthermore, APP/APLP2 suppression results in the impairment of recruitment of Tip60-TRRAP complex to DNA double strand breaks, decreased histone H4 acetylation and repair efficiency. On these bases, we propose that Fe65 and its interaction with APP play an important role in the response to DNA damage by assisting the recruitment of Tip60-TRRAP to DNA damage sites. PMID:19282473

  11. Addressing Common Cloud-Radiation Errors from 4-hour to 4-week Model Prediction

    Science.gov (United States)

    Benjamin, S.; Sun, S.; Grell, G. A.; Green, B.; Olson, J.; Kenyon, J.; James, E.; Smirnova, T. G.; Brown, J. M.

    2017-12-01

    Cloud-radiation representation in models for subgrid-scale clouds is a known gap from subseasonal-to-seasonal models down to storm-scale models applied for forecast duration of only a few hours. NOAA/ESRL has been applying common physical parameterizations for scale-aware deep/shallow convection and boundary-layer mixing over this wide range of time and spatial scales, with some progress to be reported in this presentation. The Grell-Freitas scheme (2014, Atmos. Chem. Phys.) and MYNN boundary-layer EDMF scheme (Olson / Benjamin et al. 2016 Mon. Wea. Rev.) have been applied and tested extensively for the NOAA hourly updated 3-km High-Resolution Rapid Refresh (HRRR) and 13-km Rapid Refresh (RAP) model/assimilation systems over the United States and North America, with targeting toward improvement to boundary-layer evolution and cloud-radiation representation in all seasons. This representation is critical for both warm-season severe convective storm forecasting and for winter-storm prediction of snow and mixed precipitation. At the same time the Grell-Freitas scheme has been applied also as an option for subseasonal forecasting toward improved US week 3-4 prediction with the FIM-HYCOM coupled model (Green et al 2017, MWR). Cloud/radiation evaluation using CERES satellite-based estimates have been applied to both 12-h RAP (13km) and also during Weeks 1-4 from 32-day FIM-HYCOM (60km) forecasts. Initial results reveal that improved cloud representation is needed for both resolutions and now is guiding further refinement for cloud representation including with the Grell-Freitas scheme and with the updated MYNN-EDMF scheme (both now also in global testing as well as with the 3km HRRR and 13km RAP models).

  12. A two-parameter model to predict fracture in the transition

    International Nuclear Information System (INIS)

    DeAquino, C.T.; Landes, J.D.; McCabe, D.E.

    1995-01-01

    A model is proposed that uses a numerical characterization of the crack tip stress field modified by the J - Q constraint theory and a weak link assumption to predict fracture behavior in the transition for reactor vessel steels. This model predicts the toughness scatter band for a component model from a toughness scatter band measured on a test specimen geometry. The model has been applied previously to two-dimensional through cracks. Many applications to actual components structures involve three-dimensional surface flaws. These cases require a more difficult level of analysis and need additional information. In this paper, both the current model for two-dimensional cracks and an approach needed to extend the model for the prediction of transition fracture behavior in three-dimensional surface flaws are discussed. Examples are presented to show how the model can be applied and in some cases to compare with other test results. (author). 13 refs., 7 figs

  13. Prediction of Mortality after Emergent Transjugular Intrahepatic Portosystemic Shunt Placement: Use of APACHE II, Child-Pugh and MELD Scores in Asian Patients with Refractory Variceal Hemorrhage

    International Nuclear Information System (INIS)

    Tzeng, Wen Sheng; Wu, Reng Hong; Lin, Ching Yih; Chen, Jyh Jou; Sheu, Ming Juen; Koay, Lok Beng; Lee, Chuan

    2009-01-01

    This study was designed to determine if existing methods of grading liver function that have been developed in non-Asian patients with cirrhosis can be used to predict mortality in Asian patients treated for refractory variceal hemorrhage by the use of the transjugular intrahepatic portosystemic shunt (TIPS) procedure. Data for 107 consecutive patients who underwent an emergency TIPS procedure were retrospectively analyzed. Acute physiology and chronic health evaluation (APACHE II), Child-Pugh and model for end-stage liver disease (MELD) scores were calculated. Survival analyses were performed to evaluate the ability of the various models to predict 30-day, 60-day and 360-day mortality. The ability of stratified APACHE II, Child-Pugh, and MELD scores to predict survival was assessed by the use of Kaplan-Meier analysis with the log-rank test. No patient died during the TIPS procedure, but 82 patients died during the follow-up period. Thirty patients died within 30 days after the TIPS procedure; 37 patients died within 60 days and 53 patients died within 360 days. Univariate analysis indicated that hepatorenal syndrome, use of inotropic agents and mechanical ventilation were associated with elevated 30-day mortality (p 11 or an MELD score > 20 predicted increased risk of death at 30, 60 and 360 days (p 11 or an MELD score > 20 are predictive of mortality in Asian patients with refractory variceal hemorrhage treated with the TIPS procedure. An APACHE II score is not predictive of early mortality in this patient population

  14. Rate-Based Model Predictive Control of Turbofan Engine Clearance

    Science.gov (United States)

    DeCastro, Jonathan A.

    2006-01-01

    An innovative model predictive control strategy is developed for control of nonlinear aircraft propulsion systems and sub-systems. At the heart of the controller is a rate-based linear parameter-varying model that propagates the state derivatives across the prediction horizon, extending prediction fidelity to transient regimes where conventional models begin to lose validity. The new control law is applied to a demanding active clearance control application, where the objectives are to tightly regulate blade tip clearances and also anticipate and avoid detrimental blade-shroud rub occurrences by optimally maintaining a predefined minimum clearance. Simulation results verify that the rate-based controller is capable of satisfying the objectives during realistic flight scenarios where both a conventional Jacobian-based model predictive control law and an unconstrained linear-quadratic optimal controller are incapable of doing so. The controller is evaluated using a variety of different actuators, illustrating the efficacy and versatility of the control approach. It is concluded that the new strategy has promise for this and other nonlinear aerospace applications that place high importance on the attainment of control objectives during transient regimes.

  15. Drivers and seasonal predictability of extreme wind speeds in the ECMWF System 4 and a statistical model

    Science.gov (United States)

    Walz, M. A.; Donat, M.; Leckebusch, G. C.

    2017-12-01

    As extreme wind speeds are responsible for large socio-economic losses in Europe, a skillful prediction would be of great benefit for disaster prevention as well as for the actuarial community. Here we evaluate patterns of large-scale atmospheric variability and the seasonal predictability of extreme wind speeds (e.g. >95th percentile) in the European domain in the dynamical seasonal forecast system ECMWF System 4, and compare to the predictability based on a statistical prediction model. The dominant patterns of atmospheric variability show distinct differences between reanalysis and ECMWF System 4, with most patterns in System 4 extended downstream in comparison to ERA-Interim. The dissimilar manifestations of the patterns within the two models lead to substantially different drivers associated with the occurrence of extreme winds in the respective model. While the ECMWF System 4 is shown to provide some predictive power over Scandinavia and the eastern Atlantic, only very few grid cells in the European domain have significant correlations for extreme wind speeds in System 4 compared to ERA-Interim. In contrast, a statistical model predicts extreme wind speeds during boreal winter in better agreement with the observations. Our results suggest that System 4 does not seem to capture the potential predictability of extreme winds that exists in the real world, and therefore fails to provide reliable seasonal predictions for lead months 2-4. This is likely related to the unrealistic representation of large-scale patterns of atmospheric variability. Hence our study points to potential improvements of dynamical prediction skill by improving the simulation of large-scale atmospheric dynamics.

  16. Neural network approximation of tip-abrasion effects in AFM imaging

    International Nuclear Information System (INIS)

    Bakucz, Peter; Dziomba, Thorsten; Koenders, Ludger; Krüger-Sehm, Rolf; Yacoot, Andrew

    2008-01-01

    The abrasion (wear) of tips used in scanning force microscopy (SFM) directly influences SFM image quality and is therefore of great relevance to quantitative SFM measurements. The increasing implementation of automated SFM measurement schemes has become a strong driving force for increasing efforts towards the prediction of tip wear, as it needs to be ensured that the probe is exchanged before a level of tip wear is reached that adversely affects the measurement quality. In this paper, we describe the identification of tip abrasion in a system of SFM measurements. We attempt to model the tip-abrasion process as a concatenation of a mapping from the measured AFM data to a regression vector and a nonlinear mapping from the regressor space to the output space. The mapping is formed as a basis function expansion. Feedforward neural networks are used to approximate this mapping. The one-hidden layer network gave a good quality of fit for the training and test sets for the tip-abrasion system. We illustrate our method with AFM measurements of both fine periodic structures and randomly oriented sharp features and compare our neural network results with those obtained using other methods

  17. Neural network approximation of tip-abrasion effects in AFM imaging

    Science.gov (United States)

    Bakucz, Peter; Yacoot, Andrew; Dziomba, Thorsten; Koenders, Ludger; Krüger-Sehm, Rolf

    2008-06-01

    The abrasion (wear) of tips used in scanning force microscopy (SFM) directly influences SFM image quality and is therefore of great relevance to quantitative SFM measurements. The increasing implementation of automated SFM measurement schemes has become a strong driving force for increasing efforts towards the prediction of tip wear, as it needs to be ensured that the probe is exchanged before a level of tip wear is reached that adversely affects the measurement quality. In this paper, we describe the identification of tip abrasion in a system of SFM measurements. We attempt to model the tip-abrasion process as a concatenation of a mapping from the measured AFM data to a regression vector and a nonlinear mapping from the regressor space to the output space. The mapping is formed as a basis function expansion. Feedforward neural networks are used to approximate this mapping. The one-hidden layer network gave a good quality of fit for the training and test sets for the tip-abrasion system. We illustrate our method with AFM measurements of both fine periodic structures and randomly oriented sharp features and compare our neural network results with those obtained using other methods.

  18. KNOW-BLADE, task-3.2 report, tip shape study

    Energy Technology Data Exchange (ETDEWEB)

    Soerensen, N.N.; Johansen, J.; Conway, S.; Voutsinas, S.; Hansen, M.O.L.; Stuermer, A.

    2005-01-01

    For modern rotor blades with their very large aspect ratio, the blade tip is a very limited part of the overall rotor, and as such of limited importance for the overall aerodynamics of the rotor. Even though they may not be very important for the overall power production, the tip noise can be very important for the acoustics of the rotor [15], and the blade tips can as well be important for the aerodynamic damping properties of the rotor blades [13]. Unfortunately, not many options exists for predicting the aerodynamic behavior of blade tips using computational methods. Experimentally it is dicult to perform detailed measurements in the form of pressure and velocity measurements in natural wind conditions on modern large scale turbines due to the inherent unsteadiness in the natural wind. The present study describes the application of four different Navier-Stokes solvers to tip shape studies, and shows that these codes are well suited to study the flow around different tip shape geometries, and can predict the pressure distributions at the blade tip quite accurately. (au)

  19. Results of the radiological survey at 105 Garibaldi Avenue, Lodi, New Jersey (LJ065)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.F.

    1989-11-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 105 Garibaldi Avenue, Lodi, New Jersey (LJ065), was conducted during 1987. 4 refs., 4 figs., 3 tabs

  20. Results of the radiological survey at 3 Branca Court, Lodi, New Jersey (LJ038)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.F.

    1989-10-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 3 Branca Court, Lodi, New Jersey (LJ038), was conducted during 1985 and 1986. 4 refs., 4 figs., 3 tabs

  1. Reverse-translational biomarker validation of Abnormal Repetitive Behaviors in mice: an illustration of the 4P's modeling approach.

    Science.gov (United States)

    Garner, Joseph P; Thogerson, Collette M; Dufour, Brett D; Würbel, Hanno; Murray, James D; Mench, Joy A

    2011-06-01

    The NIMH's new strategic plan, with its emphasis on the "4P's" (Prediction, Pre-emption, Personalization, and Populations) and biomarker-based medicine requires a radical shift in animal modeling methodology. In particular 4P's models will be non-determinant (i.e. disease severity will depend on secondary environmental and genetic factors); and validated by reverse-translation of animal homologues to human biomarkers. A powerful consequence of the biomarker approach is that different closely related disorders have a unique fingerprint of biomarkers. Animals can be validated as a highly specific model of a single disorder by matching this 'fingerprint'; or as a model of a symptom seen in multiple disorders by matching common biomarkers. Here we illustrate this approach with two Abnormal Repetitive Behaviors (ARBs) in mice: stereotypies and barbering (hair pulling). We developed animal versions of the neuropsychological biomarkers that distinguish human ARBs, and tested the fingerprint of the different mouse ARBs. As predicted, the two mouse ARBs were associated with different biomarkers. Both barbering and stereotypy could be discounted as models of OCD (even though they are widely used as such), due to the absence of limbic biomarkers which are characteristic of OCD and hence are necessary for a valid model. Conversely barbering matched the fingerprint of trichotillomania (i.e. selective deficits in set-shifting), suggesting it may be a highly specific model of this disorder. In contrast stereotypies were correlated only with a biomarker (deficits in response shifting) correlated with stereotypies in multiple disorders, suggesting that animal stereotypies model stereotypies in multiple disorders. Copyright © 2011 Elsevier B.V. All rights reserved.

  2. Calculated shape dependence of electromagnetic field in tip-enhanced Raman scattering by using a monopole antenna model

    Science.gov (United States)

    Kitahama, Yasutaka; Itoh, Tamitake; Suzuki, Toshiaki

    2018-05-01

    To evaluate the shape of an Ag tip with regard to tip-enhanced Raman scattering (TERS) signal, the enhanced electromagnetic (EM) field and scattering spectrum, arising from surface plasmon resonance at the apex of the tip, were calculated using a finite-difference time domain (FDTD) method. In the calculated forward scattering spectra from the smooth Ag tip, the band appeared within the visible region, similar to the experimental results and calculation for a corrugated Ag cone. In the FDTD calculation of TERS, the Ag tip acting as a monopole antenna was adopted by insertion of a perfect electric conductor between the root of the tip and a top boundary surface of the calculation space. As a result, the EM field was only enhanced at the apex. The shape dependence i.e. the EM field calculated at the apex with various curvatures on the different tapered tips, obtained using the monopole antenna model, was different from that simulated using a conventional dipole antenna model.

  3. Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Søren

    2015-01-01

    We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile...... and fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body...... a non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization....

  4. Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors.

    Science.gov (United States)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren; Bang, Ole

    2015-12-01

    We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile and fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body a non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization.

  5. P4 Medicine versus Hippocrates.

    Science.gov (United States)

    Pulciani, Simonetta; Di Lonardo, Anna; Fagnani, Corrado; Taruscio, Domenica

    2017-01-01

    Hippocrates was the first to raise awareness of medicine as a science. He asserted the body being a unified whole and emphasized the importance of preventive and predictive medicine, spurring physicians to foster patient collaboration. Recent achievements today have permitted a new approach "P4 medicine" - Predictive, Preventive, Personalized and Participatory - with the aim of depicting an individual's health history and molecular profile in determining the best medical intervention in maintaining or restoring wellbeing. There is a link, which brings together Hippocrates and P4 Medicine. This review will elaborate further this statement, considering the scientific achievements that paved the way for recent medical approaches. Emphasis will be given to the social impact of new diagnostic and therapeutic protocols, considering their costs and their success probabilities.

  6. Investigation of a new model accounting for rotors of finite tip-speed ratio in yaw or tilt

    International Nuclear Information System (INIS)

    Branlard, E; Gaunaa, M; Machefaux, E

    2014-01-01

    The main results from a recently developed vortex model are implemented into a Blade Element Momentum(BEM) code. This implementation accounts for the effect of finite tip-speed ratio, an effect which was not considered in standard BEM yaw-models. The model and its implementation are presented. Data from the MEXICO experiment are used as a basis for validation. Three tools using the same 2D airfoil coefficient data are compared: a BEM code, an Actuator-Line and a vortex code. The vortex code is further used to validate the results from the newly implemented BEM yaw-model. Significant improvements are obtained for the prediction of loads and induced velocities. Further relaxation of the main assumptions of the model are briefly presented and discussed

  7. Phase-coexistence simulations of fluid mixtures by the Markov Chain Monte Carlo method using single-particle models

    KAUST Repository

    Li, Jun

    2013-09-01

    We present a single-particle Lennard-Jones (L-J) model for CO2 and N2. Simplified L-J models for other small polyatomic molecules can be obtained following the methodology described herein. The phase-coexistence diagrams of single-component systems computed using the proposed single-particle models for CO2 and N2 agree well with experimental data over a wide range of temperatures. These diagrams are computed using the Markov Chain Monte Carlo method based on the Gibbs-NVT ensemble. This good agreement validates the proposed simplified models. That is, with properly selected parameters, the single-particle models have similar accuracy in predicting gas-phase properties as more complex, state-of-the-art molecular models. To further test these single-particle models, three binary mixtures of CH4, CO2 and N2 are studied using a Gibbs-NPT ensemble. These results are compared against experimental data over a wide range of pressures. The single-particle model has similar accuracy in the gas phase as traditional models although its deviation in the liquid phase is greater. Since the single-particle model reduces the particle number and avoids the time-consuming Ewald summation used to evaluate Coulomb interactions, the proposed model improves the computational efficiency significantly, particularly in the case of high liquid density where the acceptance rate of the particle-swap trial move increases. We compare, at constant temperature and pressure, the Gibbs-NPT and Gibbs-NVT ensembles to analyze their performance differences and results consistency. As theoretically predicted, the agreement between the simulations implies that Gibbs-NVT can be used to validate Gibbs-NPT predictions when experimental data is not available. © 2013 Elsevier Inc.

  8. Increase in hepatic arterial blood flow after transjugular intrahepatic portosystemic shunt creation and its potential predictive value of postprocedural encephalopathy and mortality.

    Science.gov (United States)

    Patel, N H; Sasadeusz, K J; Seshadri, R; Chalasani, N; Shah, H; Johnson, M S; Namyslowski, J; Moresco, K P; Trerotola, S O

    2001-11-01

    To determine (i) whether there is a significant increase in hepatic artery blood flow (HABF) after transjugular intrahepatic portosystemic shunt (TIPS) creation and (ii) whether the extent of incremental increase in HABF is predictive of clinical outcome after TIPS creation. Prospective, nonrandomized, nonblinded duplex Doppler ultrasound (US) examinations were performed on 24 consecutive patients (19 men; Child Class A/B/C: 4/12/8, respectively) with a mean age of 52.8 years who were referred for TIPS creation for variceal bleeding. Peak hepatic artery velocity and vessel dimensions were used to calculate the hepatic arterial blood flow (HABF) before and after TIPS creation. Patients were clinically followed in the gastrohepatology clinic and TIPS US surveillance was performed at 1 and 3 months to assess shunt function. The extent of incremental increase in HABF was analyzed as a predictor of post-TIPS encephalopathy and/or death. The technical success rate of TIPS creation was 100%. The shunt diameters were either 10 mm (n = 11) or 12 mm (n = 13). TIPS resulted in a significant reduction in the portosystemic gradient from 24.3 mm Hg +/- 5.7 to 9.3 mm Hg +/- 2.9 (P creation, from 60.8 cm/sec +/- 26.7 to 121 cm/sec +/- 51.5 (P creation, new or worsened encephalopathy developed in five patients at 30 days and in an additional three at 90 days. They were all successfully managed medically. Three patients (12.5%) died within 30 days of the TIPS procedure. The extent of incremental increase in HABF after TIPS was variable and did not correlate with the development of 30-day and 90-day encephalopathy (P =.41 and P =.83, respectively) or 30-day mortality (P =.2). HABF increases significantly after TIPS but is not predictive of clinical outcome. The significance of the incremental increase is yet to be determined.

  9. Modelling the embedded rainfall process using tipping bucket data

    DEFF Research Database (Denmark)

    Thyregod, Peter; Arnbjerg-Nielsen, Karsten; Madsen, Henrik

    1998-01-01

    A new method for modelling the dynamics of rain measurement processes is suggested. The method takes the discrete nature and autocorrelation of measurements from the tipping bucket rain gauge into consideration. The considered model is a state space model with a Poisson marginal distribution....... In the model there is only one parameter, a thinning parameter. The model is tested on 39 rain events. The estimated value for the various rain events is reflecting a subjective classification of rain events into frontal and convective rain. Finally, it is demonstrated how the model can be used for simulation...

  10. URANS simulations of the tip-leakage cavitating flow with verification and validation procedures

    Science.gov (United States)

    Cheng, Huai-yu; Long, Xin-ping; Liang, Yun-zhi; Long, Yun; Ji, Bin

    2018-04-01

    In the present paper, the Vortex Identified Zwart-Gerber-Belamri (VIZGB) cavitation model coupled with the SST-CC turbulence model is used to investigate the unsteady tip-leakage cavitating flow induced by a NACA0009 hydrofoil. A qualitative comparison between the numerical and experimental results is made. In order to quantitatively evaluate the reliability of the numerical data, the verification and validation (V&V) procedures are used in the present paper. Errors of numerical results are estimated with seven error estimators based on the Richardson extrapolation method. It is shown that though a strict validation cannot be achieved, a reasonable prediction of the gross characteristics of the tip-leakage cavitating flow can be obtained. Based on the numerical results, the influence of the cavitation on the tip-leakage vortex (TLV) is discussed, which indicates that the cavitation accelerates the fusion of the TLV and the tip-separation vortex (TSV). Moreover, the trajectory of the TLV, when the cavitation occurs, is close to the side wall.

  11. Hot carrier degradation and a new lifetime prediction model in ultra-deep sub-micron pMOSFET

    International Nuclear Information System (INIS)

    Lei Xiao-Yi; Liu Hong-Xia; Zhang Kai; Zhang Yue; Zheng Xue-Feng; Ma Xiao-Hua; Hao Yue

    2013-01-01

    The hot carrier effect (HCE) of an ultra-deep sub-micron p-channel metal—oxide semiconductor field-effect transistor (pMOSFET) is investigated in this paper. Experiments indicate that the generation of positively charged interface states is the predominant mechanism in the case of the ultra-deep sub-micron pMOSFET. The relation of the pMOSFET hot carrier degradation to stress time (t), channel width (W), channel length (L), and stress voltage (V d ) is then discussed. Based on the relation, a lifetime prediction model is proposed, which can predict the lifetime of the ultra-deep sub-micron pMOSFET accurately and reflect the influence of the factors on hot carrier degradation directly. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  12. Soil pH Errors Propagation from Measurements to Spatial Predictions - Cost Benefit Analysis and Risk Assessment Implications for Practitioners and Modelers

    Science.gov (United States)

    Owens, P. R.; Libohova, Z.; Seybold, C. A.; Wills, S. A.; Peaslee, S.; Beaudette, D.; Lindbo, D. L.

    2017-12-01

    The measurement errors and spatial prediction uncertainties of soil properties in the modeling community are usually assessed against measured values when available. However, of equal importance is the assessment of errors and uncertainty impacts on cost benefit analysis and risk assessments. Soil pH was selected as one of the most commonly measured soil properties used for liming recommendations. The objective of this study was to assess the error size from different sources and their implications with respect to management decisions. Error sources include measurement methods, laboratory sources, pedotransfer functions, database transections, spatial aggregations, etc. Several databases of measured and predicted soil pH were used for this study including the United States National Cooperative Soil Survey Characterization Database (NCSS-SCDB), the US Soil Survey Geographic (SSURGO) Database. The distribution of errors among different sources from measurement methods to spatial aggregation showed a wide range of values. The greatest RMSE of 0.79 pH units was from spatial aggregation (SSURGO vs Kriging), while the measurement methods had the lowest RMSE of 0.06 pH units. Assuming the order of data acquisition based on the transaction distance i.e. from measurement method to spatial aggregation the RMSE increased from 0.06 to 0.8 pH units suggesting an "error propagation". This has major implications for practitioners and modeling community. Most soil liming rate recommendations are based on 0.1 pH unit increments, while the desired soil pH level increments are based on 0.4 to 0.5 pH units. Thus, even when the measured and desired target soil pH are the same most guidelines recommend 1 ton ha-1 lime, which translates in 111 ha-1 that the farmer has to factor in the cost-benefit analysis. However, this analysis need to be based on uncertainty predictions (0.5-1.0 pH units) rather than measurement errors (0.1 pH units) which would translate in 555-1,111 investment that

  13. Glu-311 in External Loop 4 of the Sodium/Proline Transporter PutP Is Crucial for External Gate Closure*

    Science.gov (United States)

    Bracher, Susanne; Guérin, Kamila; Polyhach, Yevhen; Jeschke, Gunnar; Dittmer, Sophie; Frey, Sabine; Böhm, Maret; Jung, Heinrich

    2016-01-01

    The available structural information on LeuT and structurally related transporters suggests that external loop 4 (eL4) and the outer end of transmembrane domain (TM) 10′ participate in the reversible occlusion of the outer pathway to the solute binding sites. Here, the functional significance of eL4 and the outer region of TM10′ are explored using the sodium/proline symporter PutP as a model. Glu-311 at the tip of eL4, and various amino acids around the outer end of TM10′ are identified as particularly crucial for function. Substitutions at these sites inhibit the transport cycle, and affect in part ligand binding. In addition, changes at selected sites induce a global structural alteration in the direction of an outward-open conformation. It is suggested that interactions between the tip of eL4 and the peptide backbone at the end of TM10′ participate in coordinating conformational alterations underlying the alternating access mechanism of transport. Together with the structural information on LeuT-like transporters, the results further specify the idea that common design and functional principles are maintained across different transport families. PMID:26728461

  14. Bent versus straight tips in micropulsed longitudinal phacoemulsification.

    Science.gov (United States)

    Stagg, Brian C; Gupta, Isha; Cahoon, Judd; Ronquillo, Cecinio; Shi, Dallas; Zaugg, Brian; Gardiner, Gareth; Barlow, William R; Pettey, Jeff H; Aabid Farukhi, M; Jensen, Jason; Olson, Randall J

    2015-10-01

    The aim of this study was to evaluate bent and straight phacoemulsification tips to determine which tip is more efficient in removal of lens fragments, using micropulsed longitudinal ultrasound in phacoemulsification. In vitro laboratory study. The John A. Moran Eye Center Laboratories, University of Utah, Salt Lake City, Utah, was the study setting. Pig lenses hardened in a manner comparable with dense human cataracts were cut into 2-mm cubes and removed with micropulsed longitudinal ultrasound using settings previously shown to be optimally efficient (6 milliseconds on and 6 milliseconds off for a bent tip). To verify this time as most efficient for a straight tip, we also tested times of 5, 6, and 7 milliseconds time on and off. The tips were either straight or with a 20-degree bend. Twenty cubes were used for each comparative run. For the straight tip, 6 milliseconds on (1.56 ± 0.815 seconds) was significantly more efficient than 7 milliseconds on (2.45 ± 1.56 seconds, p = 0.001) and not significantly more efficient than 5 milliseconds on (1.69 ± 0.86 seconds, p = 0.43). Five milliseconds off time (1.45 ± 0.76s) was more efficient than 6 milliseconds (2.06 ± 1.37 seconds, p = 0.004) and 7 milliseconds off (2.18 ± 1.24s, p = 0.001). The straight tip was more efficient than the bent tip (1.38 ± 0.83 versus 2.93 ± 2.14 seconds, p = 0.006). Results are contrary to accepted common belief. Micropulsed longitudinal phacoemulsification is more efficient with a straight rather than a bent tip. Copyright © 2015 Canadian Ophthalmological Society. Published by Elsevier Inc. All rights reserved.

  15. [Pay for performance in dental care: A systematic narrative review of quality P4P models in dental care].

    Science.gov (United States)

    Chenot, Regine

    2017-11-01

    Pay for performance (P4P) links reimbursement to the achievement of quality objectives. Experiences with P4P instruments and studies on their effects are available for the inpatient sector. A systematic narrative review brings together findings concerning the use and the effects of P4P, especially in dental care. A systematic literature search in PubMed and the Cochrane Library for reimbursement models using quality indicators provided 77 publications. Inclusion criteria were: year of publication not older than 2007, dental sector, models of quality-oriented remuneration, quality of care, quality indicators. 27 publications met the inclusion criteria and were evaluated with regard to the instruments and effects of P4P. The database search was supplemented by a free search on the Internet as well as a search in indicator databases and portals. The results of the included studies were extracted and summarized narratively. 27 studies were included in the review. Performance-oriented remuneration is an instrument of quality competition. In principle, P4P is embedded in an existing remuneration system, i.e., it does not occur in isolation. In the United States, England and Scandinavia, models are currently being tested for quality-oriented remuneration in dental care, based on quality indicators. The studies identified by the literature search are very heterogeneous and do not yield comparable endpoints. Difficulties are seen in the reproducibility of the quality of dental care with regard to certain characteristics which still have to be defined as quality-promoting properties. Risk selection cannot be ruled out, which may have an impact on structural quality (access to care, coordination). There were no long-term effects of P4P on the quality of care. In the short and medium term, adverse effects on the participants' motivation as well as shifting effects towards the private sector are described. A prerequisite for the functioning of P4P is the definition of clear

  16. Thermoelectric voltage at a nanometer-scale heated tip point contact

    International Nuclear Information System (INIS)

    Fletcher, Patrick C; Lee, Byeonghee; King, William P

    2012-01-01

    We report thermoelectric voltage measurements between the platinum-coated tip of a heated atomic force microscope (AFM) cantilever and a gold-coated substrate. The cantilevers have an integrated heater–thermometer element made from doped single crystal silicon, and a platinum tip. The voltage can be measured at the tip, independent from the cantilever heating. We used the thermocouple junction between the platinum tip and the gold substrate to measure thermoelectric voltage during heating. Experiments used either sample-side or tip-side heating, over the temperature range 25–275 °C. The tip–substrate contact is ∼4 nm in diameter and its average measured Seebeck coefficient is 3.4 μV K −1 . The thermoelectric voltage is used to determine tip–substrate interface temperature when the substrate is either glass or quartz. When the non-dimensional cantilever heater temperature is 1, the tip–substrate interface temperature is 0.593 on glass and 0.125 on quartz. Thermal contact resistance between the tip and the substrate heavily influences the tip–substrate interface temperature. Measurements agree well with modeling when the tip–substrate interface contact resistance is 10 8 K W −1 . (paper)

  17. Best of both worlds: combining pharma data and state of the art modeling technology to improve in Silico pKa prediction.

    Science.gov (United States)

    Fraczkiewicz, Robert; Lobell, Mario; Göller, Andreas H; Krenz, Ursula; Schoenneis, Rolf; Clark, Robert D; Hillisch, Alexander

    2015-02-23

    In a unique collaboration between a software company and a pharmaceutical company, we were able to develop a new in silico pKa prediction tool with outstanding prediction quality. An existing pKa prediction method from Simulations Plus based on artificial neural network ensembles (ANNE), microstates analysis, and literature data was retrained with a large homogeneous data set of drug-like molecules from Bayer. The new model was thus built with curated sets of ∼14,000 literature pKa values (∼11,000 compounds, representing literature chemical space) and ∼19,500 pKa values experimentally determined at Bayer Pharma (∼16,000 compounds, representing industry chemical space). Model validation was performed with several test sets consisting of a total of ∼31,000 new pKa values measured at Bayer. For the largest and most difficult test set with >16,000 pKa values that were not used for training, the original model achieved a mean absolute error (MAE) of 0.72, root-mean-square error (RMSE) of 0.94, and squared correlation coefficient (R(2)) of 0.87. The new model achieves significantly improved prediction statistics, with MAE = 0.50, RMSE = 0.67, and R(2) = 0.93. It is commercially available as part of the Simulations Plus ADMET Predictor release 7.0. Good predictions are only of value when delivered effectively to those who can use them. The new pKa prediction model has been integrated into Pipeline Pilot and the PharmacophorInformatics (PIx) platform used by scientists at Bayer Pharma. Different output formats allow customized application by medicinal chemists, physical chemists, and computational chemists.

  18. Predicting turns in proteins with a unified model.

    Directory of Open Access Journals (Sweden)

    Qi Song

    Full Text Available MOTIVATION: Turns are a critical element of the structure of a protein; turns play a crucial role in loops, folds, and interactions. Current prediction methods are well developed for the prediction of individual turn types, including α-turn, β-turn, and γ-turn, etc. However, for further protein structure and function prediction it is necessary to develop a uniform model that can accurately predict all types of turns simultaneously. RESULTS: In this study, we present a novel approach, TurnP, which offers the ability to investigate all the turns in a protein based on a unified model. The main characteristics of TurnP are: (i using newly exploited features of structural evolution information (secondary structure and shape string of protein based on structure homologies, (ii considering all types of turns in a unified model, and (iii practical capability of accurate prediction of all turns simultaneously for a query. TurnP utilizes predicted secondary structures and predicted shape strings, both of which have greater accuracy, based on innovative technologies which were both developed by our group. Then, sequence and structural evolution features, which are profile of sequence, profile of secondary structures and profile of shape strings are generated by sequence and structure alignment. When TurnP was validated on a non-redundant dataset (4,107 entries by five-fold cross-validation, we achieved an accuracy of 88.8% and a sensitivity of 71.8%, which exceeded the most state-of-the-art predictors of certain type of turn. Newly determined sequences, the EVA and CASP9 datasets were used as independent tests and the results we achieved were outstanding for turn predictions and confirmed the good performance of TurnP for practical applications.

  19. Plastic crystal phases of simple water models

    International Nuclear Information System (INIS)

    Aragones, J. L.; Vega, C.

    2009-01-01

    We report the appearance of two plastic crystal phases of water at high pressure and temperature using computer simulations. In one of them the oxygen atoms form a body centered cubic structure (bcc) and in the other they form a face centered cubic structure (fcc). In both cases the water molecules were able to rotate almost freely. We have found that the bcc plastic crystal transformed into a fcc plastic crystal via a Martensitic phase transition when heated at constant pressure. We have performed the characterization and localization in the phase diagram of these plastic crystal phases for the SPC/E, TIP4P, and TIP4P/2005 water potential models. For TIP4P/2005 model free energy calculations were carried out for the bcc plastic crystal and fcc plastic crystal using a new method (which is a slight variation of the Einstein crystal method) proposed for these types of solid. The initial coexistence points for the SPC/E and TIP4P models were obtained using Hamiltonian Gibbs–Duhem integration. For all of these models these two plastic crystal phases appear in the high pressure and temperature region of the phase diagram. It would be of interest to study if such plastic crystal phases do indeed exist for real water. This would shed some light on the question of whether these models can describe satisfactorily the high pressure part of the phase diagram of water, and if not, where and why they fail.

  20. Extended timescale atomistic modeling of crack tip behavior in aluminum

    International Nuclear Information System (INIS)

    Baker, K L; Warner, D H

    2012-01-01

    Traditional molecular dynamics (MD) simulations are limited not only by their spatial domain, but also by the time domain that they can examine. Considering that many of the events associated with plasticity are thermally activated, and thus rare at atomic timescales, the limited time domain of traditional MD simulations can present a significant challenge when trying to realistically model the mechanical behavior of materials. A wide variety of approaches have been developed to address the timescale challenge, each having their own strengths and weaknesses dependent upon the specific application. Here, we have simultaneously applied three distinct approaches to model crack tip behavior in aluminum at timescales well beyond those accessible to traditional MD simulation. Specifically, we combine concurrent multiscale modeling (to reduce the degrees of freedom in the system), parallel replica dynamics (to parallelize the simulations in time) and hyperdynamics (to accelerate the exploration of phase space). Overall, the simulations (1) provide new insight into atomic-scale crack tip behavior at more typical timescales and (2) illuminate the potential of common extended timescale techniques to enable atomic-scale modeling of fracture processes at typical experimental timescales. (paper)

  1. Ergonomic factors related to drop-off detection with the long cane: effects of cane tips and techniques.

    Science.gov (United States)

    Kim, Dae Shik; Emerson, Robert S Wall; Curtis, Amy B

    2010-06-01

    This study examined the effect of cane tips and cane techniques on drop-off detection with the long cane. Blind pedestrians depend on a long cane to detect drop-offs. Missing a drop-off may result in falls or collision with moving vehicles in the street. Although cane tips appear to affect a cane user's ability to detect drop-offs, few experimental studies have examined such effect. A repeated-measures design with block randomization was used for the study. Participants were 17 adults who were legally blind and had no other disabilities. Participants attempted to detect the drop-offs of varied depths using different cane tips and cane techniques. Drop-off detection rates were similar between the marshmallow tip (77.0%) and the marshmallow roller tip (79.4%) when both tips were used with the constant contact technique, p = .294. However, participants detected drop-offs at a significantly higher percentage when they used the constant contact technique with the marshmallow roller tip (79.4%) than when they used the two-point touch technique with the marshmallow tip (63.2%), p marshmallow roller tip (perceived as a less advantageous tip) was more effective than the two-point touch technique used with a marshmallow tip (perceived as a more advantageous tip) in detecting drop-offs. The findings of the study may help cane users and orientation and mobility specialists select appropriate cane techniques and cane tips in accordance with the cane user's characteristics and the nature of the travel environment.

  2. Topotactic changes on η-Mo4O11 caused by biased atomic force microscope tip and cw-laser

    International Nuclear Information System (INIS)

    Borovšak, Miloš; Šutar, Petra; Goreshnik, Evgeny; Mihailovic, Dragan

    2015-01-01

    Highlights: • We report influencing electronic properties of η-Mo 4 O 11 . • With the biased AFM tip we induce the surface potential changes on η-Mo 4 O 11 . • We used cw-laser to induced similar effect on surface potential on η-Mo 4 O 11 . • We do not influence the surface and topography of the samples. • No change in topography of samples indicates the topotactic transformation. - Abstract: We present topotactic changes on Mo 4 O 11 crystals induced by a biased atomic force microscope tip and continuous laser. The transformation does not change the topography of the samples, while the surface potential shows remarkable changes on areas where the biased AFM tip was applied. No structural changes were observed by Raman spectroscopy, but AFM scans revealed changes to surface potential due to laser illumination. The observed phenomenon could be potentially useful for memristive memory devices considering the fact that properties of other molybdenum oxides vary from metallic to insulators.

  3. Prediction of PWSCC in nickel base alloys using crack growth rate models

    International Nuclear Information System (INIS)

    Thompson, C.D.

    1995-01-01

    The Ford/Andresen slip dissolution SCC model, originally developed for stainless steel components in BWR environments, has been applied to Alloy 600 and Alloy X-750 tested in deaerated pure water chemistry. A method is described whereby the crack growth rates measured in compact tension specimens can be used to estimate crack growth in a component. Good agreement was found between model prediction and measured SCC in X-750 threaded fasteners over a wide range of temperatures, stresses, and material condition. Most data support the basic assumption of this model that cracks initiate early in life. The evidence supporting a particular SCC mechanism is mixed. Electrochemical repassivation data and estimates of oxide fracture strain indicate that the slip dissolution model can account for the observed crack growth rates, provided primary rather than secondary creep rates are used. However, approximately 100 cross-sectional TEM foils of SCC cracks including crack tips reveal no evidence of enhanced plasticity or unique dislocation patterns at the crack tip or along the crack to support a classic slip dissolution mechanism. No voids, hydrides,, or microcracks are found in the vicinity of the crack tips creating doubt about classic hydrogen related mechanisms. The bulk oxide films exhibit a surface oxide which is often different than the oxide found within a crack. Although bulk chromium concentration affects the rate of SCC, analytical data indicates the mechanism does not result from chromium depletion at the grain boundaries. The overall findings support a corrosion/dissolution mechanism but not one necessarily related to slip at the crack tip. (author). 12 refs, 27 figs

  4. Tip-tilt disturbance model identification based on non-linear least squares fitting for Linear Quadratic Gaussian control

    Science.gov (United States)

    Yang, Kangjian; Yang, Ping; Wang, Shuai; Dong, Lizhi; Xu, Bing

    2018-05-01

    We propose a method to identify tip-tilt disturbance model for Linear Quadratic Gaussian control. This identification method based on Levenberg-Marquardt method conducts with a little prior information and no auxiliary system and it is convenient to identify the tip-tilt disturbance model on-line for real-time control. This identification method makes it easy that Linear Quadratic Gaussian control runs efficiently in different adaptive optics systems for vibration mitigation. The validity of the Linear Quadratic Gaussian control associated with this tip-tilt disturbance model identification method is verified by experimental data, which is conducted in replay mode by simulation.

  5. An analytical model accounting for tip shape evolution during atom probe analysis of heterogeneous materials.

    Science.gov (United States)

    Rolland, N; Larson, D J; Geiser, B P; Duguay, S; Vurpillot, F; Blavette, D

    2015-12-01

    An analytical model describing the field evaporation dynamics of a tip made of a thin layer deposited on a substrate is presented in this paper. The difference in evaporation field between the materials is taken into account in this approach in which the tip shape is modeled at a mesoscopic scale. It was found that the non-existence of sharp edge on the surface is a sufficient condition to derive the morphological evolution during successive evaporation of the layers. This modeling gives an instantaneous and smooth analytical representation of the surface that shows good agreement with finite difference simulations results, and a specific regime of evaporation was highlighted when the substrate is a low evaporation field phase. In addition, the model makes it possible to calculate theoretically the tip analyzed volume, potentially opening up new horizons for atom probe tomographic reconstruction. Copyright © 2015 Elsevier B.V. All rights reserved.

  6. Collaborative Occupational Therapy: Teachers' Impressions of the Partnering for Change (P4C) Model.

    Science.gov (United States)

    Wilson, A L; Harris, S R

    2018-05-01

    Occupational therapists (OTs) often face barriers when trying to collaborate with teachers in school-based settings. Partnering for change (P4C), a collaborative practice model designed to support children with developmental coordination disorder, could potentially support all students with special needs. Therefore, the aim of this study was to explore how teachers experience OT services delivered using the P4C model to support children with a variety of special needs. P4C was implemented at one elementary school in Courtenay, British Columbia. Eleven teachers participated in two focus groups and a one-on-one interview to gather descriptive, qualitative data. Grounded theory techniques were used for data analysis. Four themes (collaborating in the thick of it all, learning and taking risks, managing limited time and resources, and appreciating responsive OT support) represented teachers' experiences of P4C. Teachers strongly preferred collaborative OT services based on the P4C model. Students with a variety of special needs were supported within their classrooms as teachers learned new strategies from the OT and found ways to embed these strategies into their daily routines.

  7. Improved Patency of Transjugular Intrahepatic Portosystemic Shunt: The Efficacy of Cilostazol for the Prevention of Pseudointimal Hyperplasia in Swine TIPS Models

    International Nuclear Information System (INIS)

    Park, Sang Woo; Cha, In Ho; Kim, Chul Hwan; Jeon, Hae Jeong; Park, Jeong Hee; Hong, Suk Joo; Lee, In Sik

    2007-01-01

    Purpose. To investigate the efficacy of oral administration of cilostazol to inhibit pseudointimal/intimal hyperplasia in swine TIPS models. Methods. Successful TIPS creation was carried out in 11 of 12 healthy young pigs (20-25 kg). In the treatment group (n = 6), both cilostazol and aspirin were administered daily, from the first day of TIPS creation. The control group (n = 5) was administered only aspirin. The animals were followed-up for 2 weeks and then killed. The specimen (including portal vein, hepatic parenchymal tract, hepatic vein, and inferior vena cava) and stents were carefully bisected in a longitudinal fashion. The control group was compared with the treatment group by means of a gross and histologic evaluation of the degree of pseudointimal/intimal hyperplasia in the shunt. Results. At the gross evaluation, the control group showed considerably more pseudointimal/intimal hyperplasia than the treatment group. Using microscopic evaluation, there was a statistically significant difference (p < 0.05) in the mean maximum pseudointimal/intimal hyperplasia thickness between the control group (2.97 ± 0.33 mm) and treatment group (0.73 ± 0.27 mm). Conclusion. Oral administration of cilostazol may have been effective in reducing pseudointimal/intimal hyperplasia in swine TIPS models

  8. Experimental and first-principles calculation study of the pressure-induced transitions to a metastable phase in GaP O4 and in the solid solution AlP O4-GaP O4

    Science.gov (United States)

    Angot, E.; Huang, B.; Levelut, C.; Le Parc, R.; Hermet, P.; Pereira, A. S.; Aquilanti, G.; Frapper, G.; Cambon, O.; Haines, J.

    2017-08-01

    α -Quartz-type gallium phosphate and representative compositions in the AlP O4-GaP O4 solid solution were studied by x-ray powder diffraction and absorption spectroscopy, Raman scattering, and by first-principles calculations up to pressures of close to 30 GPa. A phase transition to a metastable orthorhombic high-pressure phase along with some of the stable orthorhombic C m c m CrV O4 -type material is found to occur beginning at 9 GPa at 320 ∘C in GaP O4 . In the case of the AlP O4-GaP O4 solid solution at room temperature, only the metastable orthorhombic phase was obtained above 10 GPa. The possible crystal structures of the high-pressure forms of GaP O4 were predicted from first-principles calculations and the evolutionary algorithm USPEX. A predicted orthorhombic structure with a P m n 21 space group with the gallium in sixfold and phosphorus in fourfold coordination was found to be in the best agreement with the combined experimental data from x-ray diffraction and absorption and Raman spectroscopy. This method is found to very powerful to better understand competition between different phase transition pathways at high pressure.

  9. Variables decreasing tip movement of peripherally inserted central catheters in pediatric patients.

    Science.gov (United States)

    Gnannt, Ralph; Connolly, Bairbre L; Parra, Dimitri A; Amaral, Joao; Moineddin, Rahim; Thakor, Avnesh S

    2016-10-01

    The position of the tip of a peripherally inserted central catheter (PICC) is crucial; malposition can lead to malfunction of the line or life-threatening events (e.g., arrhythmias, perforation). To determine what factors other than arm position and accessed vein might influence the tip position of a PICC. Inclusion criteria were upper limb PICC placement, body weight central tip movement in rib units. We included 112 children who received a PICC (42 girls/70 boys, mean age 31±13 months, mean weight 6.5±4.9 kg). The overall range of central tip movement was -1 to +4 rib units (mean +0.8±0.7 rib units). Silicone PICCs moved significantly less than polyurethane PICCs (Pcentral tip movement of a PICC (P>0.05). Silicone PICCs and PICCs inserted into the cephalic vein move less than PICCs made of polyurethane and PICCs inserted into the brachial and basilic veins. These findings might assist operators in deciding which PICC to place in children in a given clinical context.

  10. Characterization of metal-coated fiber tip for NSOM lithography by tip-to-tip scan

    International Nuclear Information System (INIS)

    Kubicova, I.; Pudis, D.; Suslik, L.; Skriniarova, J.

    2011-01-01

    For the optical field characterization, a tip-to-tip scan of two metal-coated fiber tips with circular aperture at the apex was performed. The optical field irradiated from the fiber probe in illumination mode was analyzed by NSOM represented by fiber probe in collection mode. The near-field intensity profile of the source fiber tip in the plane perpendicular to the axis of the tip was taken. Experimental stage requires high resolution 3D motion system controlled by computer (Fig. 1). The source and the detector fiber tip were placed on the moving and static part of the 3D nanoposition system, respectively. As a light source, a modulated 473 nm DPSS laser was used. After the source fiber tip characterization, the NSOM lithography was performed. In the experimental setup from Fig. 1, the detector fiber tip was replaced by a sample fixed in a vacuum holder. As a sample, a 600 nm positive photoresist AZ 5214E was spin-coated on a GaAs substrate. Exposure was carried out by irradiation of the sample at desired positions through the fiber tip aperture. The sample was developed in AZ 400K developer for 30 s and rinsed in DI water. A promising tip-to-tip scanning technique for characterization of metal-coated fiber tips with aperture at the apex was presented. Nearly-circular aperture shapes were documented from NSOM measurements with diameter estimated to be less than 460 nm. By knowing the source-detector distance and the FWHM of the near-field intensity profile, the tip-to-tip scan proves an easy and fast method to analyze the fiber tip aperture properties. The fiber tip resolution was confirmed by preparation of 2D planar structures in thin photoresist layer, where the NSOM lithography uses the metal-coated fiber tip characterized in previous section. (authors)

  11. Analyzing the capacity of the Daphnia magna and Pseudokirchneriella subcapitata bioavailability models to predict chronic zinc toxicity at high pH and low calcium concentrations and formulation of a generalized bioavailability model for D. magna.

    Science.gov (United States)

    Van Regenmortel, Tina; Berteloot, Olivier; Janssen, Colin R; De Schamphelaere, Karel A C

    2017-10-01

    Risk assessment in the European Union implements Zn bioavailability models to derive predicted-no-effect concentrations for Zn. These models are validated within certain boundaries (i.e., pH ≤ 8 and Ca concentrations ≥ 5mg/L), but a substantial fraction of the European surface waters falls outside these boundaries. Therefore, we evaluated whether the chronic Zn biotic ligand model (BLM) for Daphnia magna and the chronic bioavailability model for Pseudokirchneriella subcapitata could be extrapolated to pH > 8 and Ca concentrations model can accurately predict Zn toxicity for Ca concentrations down to 0.8 mg/L and pH values up to 8.5. Because the chronic Zn BLM for D. magna could not be extrapolated beyond its validity boundaries for pH, a generalized bioavailability model (gBAM) was developed. Of 4 gBAMs developed, we recommend the use of gBAM-D, which combines a log-linear relation between the 21-d median effective concentrations (expressed as free Zn 2+ ion activity) and pH, with more conventional BLM-type competition constants for Na, Ca, and Mg. This model is a first step in further improving the accuracy of chronic toxicity predictions of Zn as a function of water chemistry, which can decrease the uncertainty in implementing the bioavailability-based predicted-no-effect concentration in the risk assessment of high-pH and low-Ca concentration regions in Europe. Environ Toxicol Chem 2017;36:2781-2798. © 2017 SETAC. © 2017 SETAC.

  12. Environmental tipping points significantly affect the cost−benefit assessment of climate policies

    Science.gov (United States)

    Cai, Yongyang; Judd, Kenneth L.; Lenton, Timothy M.; Lontzek, Thomas S.; Narita, Daiju

    2015-01-01

    Most current cost−benefit analyses of climate change policies suggest an optimal global climate policy that is significantly less stringent than the level required to meet the internationally agreed 2 °C target. This is partly because the sum of estimated economic damage of climate change across various sectors, such as energy use and changes in agricultural production, results in only a small economic loss or even a small economic gain in the gross world product under predicted levels of climate change. However, those cost−benefit analyses rarely take account of environmental tipping points leading to abrupt and irreversible impacts on market and nonmarket goods and services, including those provided by the climate and by ecosystems. Here we show that including environmental tipping point impacts in a stochastic dynamic integrated assessment model profoundly alters cost−benefit assessment of global climate policy. The risk of a tipping point, even if it only has nonmarket impacts, could substantially increase the present optimal carbon tax. For example, a risk of only 5% loss in nonmarket goods that occurs with a 5% annual probability at 4 °C increase of the global surface temperature causes an immediate two-thirds increase in optimal carbon tax. If the tipping point also has a 5% impact on market goods, the optimal carbon tax increases by more than a factor of 3. Hence existing cost−benefit assessments of global climate policy may be significantly underestimating the needs for controlling climate change. PMID:25825719

  13. Environmental tipping points significantly affect the cost-benefit assessment of climate policies.

    Science.gov (United States)

    Cai, Yongyang; Judd, Kenneth L; Lenton, Timothy M; Lontzek, Thomas S; Narita, Daiju

    2015-04-14

    Most current cost-benefit analyses of climate change policies suggest an optimal global climate policy that is significantly less stringent than the level required to meet the internationally agreed 2 °C target. This is partly because the sum of estimated economic damage of climate change across various sectors, such as energy use and changes in agricultural production, results in only a small economic loss or even a small economic gain in the gross world product under predicted levels of climate change. However, those cost-benefit analyses rarely take account of environmental tipping points leading to abrupt and irreversible impacts on market and nonmarket goods and services, including those provided by the climate and by ecosystems. Here we show that including environmental tipping point impacts in a stochastic dynamic integrated assessment model profoundly alters cost-benefit assessment of global climate policy. The risk of a tipping point, even if it only has nonmarket impacts, could substantially increase the present optimal carbon tax. For example, a risk of only 5% loss in nonmarket goods that occurs with a 5% annual probability at 4 °C increase of the global surface temperature causes an immediate two-thirds increase in optimal carbon tax. If the tipping point also has a 5% impact on market goods, the optimal carbon tax increases by more than a factor of 3. Hence existing cost-benefit assessments of global climate policy may be significantly underestimating the needs for controlling climate change.

  14. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    KAUST Repository

    Kadoura, Ahmad Salim

    2016-06-01

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH4, N2, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO2 and C2 H6.

  15. Ablation characteristics of boding liver according to cool-tip temperature of RFA equipment

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Young Jae [Dept. of Radiology, Seoul National University Hospital, Seoul (Korea, Republic of); Kim, Jeong Koo [Dept. of Radiological Science, Hanseo University, Seosan (Korea, Republic of)

    2015-06-15

    This study confirmed the correlation between the change of the cooling water in internal cooling system and the size of the ablation site of bovine liver in RF heat treatment equipment. The bovine liver was resection with 4 x 4 x 4 cm{sup 3} in 2 cm cool-tip and with 6 x 6 x 6 cm{sup 3} in 3 cm cool-tip for the experiments. Area and perimeter of the ablation site for bovine liver were measured by Freehand techniques of MRI. It showed area and perimeter decreased during cool-tip temperature rises 6 and 12 minutes ablation using a 2 cm and 3 cm cool-tip. The correlation of cool-tip temperature and area and perimeter was statistically significant the result are shown (p=.000). The measurements of area and perimeter were more accurate with MRI in actual measurements and MRI for ablation range. The statistical results using Paired sample T-test was also significant (p=.038). The ablation range of bovine liver decreased according as cooling water temperature increases in RF heat treatment equipment for reason of carbonization occurred due to does not accurately pass the RF energy. Therefore, it is considered the effect of RF heat treatment would be increased if the temperature of the cooling water consistently maintain the low temperature in order to reduce the generation of carbide at RF heat treatment and RF energy is delivered accurately.

  16. Ablation characteristics of boding liver according to cool-tip temperature of RFA equipment

    International Nuclear Information System (INIS)

    Choi, Young Jae; Kim, Jeong Koo

    2015-01-01

    This study confirmed the correlation between the change of the cooling water in internal cooling system and the size of the ablation site of bovine liver in RF heat treatment equipment. The bovine liver was resection with 4 x 4 x 4 cm"3 in 2 cm cool-tip and with 6 x 6 x 6 cm"3 in 3 cm cool-tip for the experiments. Area and perimeter of the ablation site for bovine liver were measured by Freehand techniques of MRI. It showed area and perimeter decreased during cool-tip temperature rises 6 and 12 minutes ablation using a 2 cm and 3 cm cool-tip. The correlation of cool-tip temperature and area and perimeter was statistically significant the result are shown (p=.000). The measurements of area and perimeter were more accurate with MRI in actual measurements and MRI for ablation range. The statistical results using Paired sample T-test was also significant (p=.038). The ablation range of bovine liver decreased according as cooling water temperature increases in RF heat treatment equipment for reason of carbonization occurred due to does not accurately pass the RF energy. Therefore, it is considered the effect of RF heat treatment would be increased if the temperature of the cooling water consistently maintain the low temperature in order to reduce the generation of carbide at RF heat treatment and RF energy is delivered accurately

  17. Prediction of tip vortex cavitation for ship propellers

    NARCIS (Netherlands)

    Oprea, A.I.

    2013-01-01

    An open propeller is the conventional device providing thrust for ships. Due to its working principles, regions with low pressure are formed on its blades specifically at the leading edge and in the tip region. If this pressure is becoming lower than the vapor pressure, the cavitation phenomenon is

  18. Are abrupt climate changes predictable?

    Science.gov (United States)

    Ditlevsen, Peter

    2013-04-01

    record is presented. The result of the analysis points to a fundamental limitation in predictability of the third kind. Reference: P. D. Ditlevsen and S. Johnsen, "Tipping points: Early warning and wishful thinking", Geophys. Res. Lett., 37, 2010

  19. Strain gradient plasticity modeling of hydrogen diffusion to the crack tip

    DEFF Research Database (Denmark)

    Martínez Pañeda, Emilio; del Busto, S.; Niordson, Christian Frithiof

    2016-01-01

    to characterize the gradient-enhanced stress elevation and subsequent diffusion of hydrogen towards the crack tip. Results reveal that GNDs, absent in conventional plasticity predictions, play a fundamental role on hydrogen transport ahead of a crack. SGP estimations provide a good agreement with experimental......In this work hydrogen diffusion towards the fracture process zone is examined accounting for local hardening due to geometrically necessary dislocations (GNDs) by means of strain gradient plasticity (SGP). Finite element computations are performed within the finite deformation theory...

  20. Development of in Silico Models for Predicting P-Glycoprotein Inhibitors Based on a Two-Step Approach for Feature Selection and Its Application to Chinese Herbal Medicine Screening.

    Science.gov (United States)

    Yang, Ming; Chen, Jialei; Shi, Xiufeng; Xu, Liwen; Xi, Zhijun; You, Lisha; An, Rui; Wang, Xinhong

    2015-10-05

    P-glycoprotein (P-gp) is regarded as an important factor in determining the ADMET (absorption, distribution, metabolism, elimination, and toxicity) characteristics of drugs and drug candidates. Successful prediction of P-gp inhibitors can thus lead to an improved understanding of the underlying mechanisms of both changes in the pharmacokinetics of drugs and drug-drug interactions. Therefore, there has been considerable interest in the development of in silico modeling of P-gp inhibitors in recent years. Considering that a large number of molecular descriptors are used to characterize diverse structural moleculars, efficient feature selection methods are required to extract the most informative predictors. In this work, we constructed an extensive available data set of 2428 molecules that includes 1518 P-gp inhibitors and 910 P-gp noninhibitors from multiple resources. Importantly, a two-step feature selection approach based on a genetic algorithm and a greedy forward-searching algorithm was employed to select the minimum set of the most informative descriptors that contribute to the prediction of P-gp inhibitors. To determine the best machine learning algorithm, 18 classifiers coupled with the feature selection method were compared. The top three best-performing models (flexible discriminant analysis, support vector machine, and random forest) and their ensemble model using respectively only 3, 9, 7, and 14 descriptors achieve an overall accuracy of 83.2%-86.7% for the training set containing 1040 compounds, an overall accuracy of 82.3%-85.5% for the test set containing 1039 compounds, and a prediction accuracy of 77.4%-79.9% for the external validation set containing 349 compounds. The models were further extensively validated by DrugBank database (1890 compounds). The proposed models are competitive with and in some cases better than other published models in terms of prediction accuracy and minimum number of descriptors. Applicability domain then was addressed

  1. SA-4-1BBL costimulation inhibits conversion of conventional CD4+ T cells into CD4+ FoxP3+ T regulatory cells by production of IFN-γ.

    Directory of Open Access Journals (Sweden)

    Shravan Madireddi

    Full Text Available Tumors convert conventional CD4(+ T cells into induced CD4(+CD25(+FoxP3(+ T regulatory (iTreg cells that serve as an effective means of immune evasion. Therefore, the blockade of conventional CD4(+ T cell conversion into iTreg cells represents an attractive target for improving the efficacy of various immunotherapeutic approaches. Using a novel form of 4-1BBL molecule, SA-4-1BBL, we previously demonstrated that costimulation via 4-1BB receptor renders both CD4(+and CD8(+ T effector (Teff cells refractory to inhibition by Treg cells and increased intratumoral Teff/Treg cell ratio that correlated with therapeutic efficacy in various preclinical tumor models. Building on these studies, we herein show for the first time, to our knowledge, that signaling through 4-1BB inhibits antigen- and TGF-β-driven conversion of naïve CD4(+FoxP3(- T cells into iTreg cells via stimulation of IFN-γ production by CD4(+FoxP3(- T cells. Importantly, treatment with SA-4-1BBL blocked the conversion of CD4(+FoxP3(- T cells into Treg cells by EG.7 tumors. Taken together with our previous studies, these results show that 4-1BB signaling negatively modulate Treg cells by two distinct mechanisms: i inhibiting the conversion of CD4(+FoxP3(- T cells into iTreg cells and ii endowing Teff cells refractory to inhibition by Treg cells. Given the dominant role of Treg cells in tumor immune evasion mechanisms, 4-1BB signaling represents an attractive target for favorably tipping the Teff:Treg balance toward Teff cells with important implications for cancer immunotherapy.

  2. Mechano-electrochemical study of stress corrosion crack tip area: Case of Zircaloy-4 in halide solution

    International Nuclear Information System (INIS)

    Durif, E.

    2012-01-01

    Stress corrosion cracking (SCC) is a damage phenomenon which results from the synergy between corrosion process (dissolution, adsorption) and mechanical fracture (crack propagation). Although this phenomenon is well known, its modelling is still a challenging issue, especially concerning mechano-electrochemical coupling mechanisms at crack tip, because it depends on model system (metal/aggressive media) and large number of mechanical and electrochemical factors. In this thesis, mutual interactions between dissolution and the stress state around the crack tip (stress intensity factor) are studied in the case of Zircaloy-4 in aqueous halide solution. Samples are first pre-cracked in air by using fatigue load-shedding procedure to control the stress intensity factor. Then, pre-oxidation is used to produce a thin protective passive layer on their surface. The electro-chemical reactions are thus concentrated at the crack tip which also induces a concentration of the mechanical effect. During the test, digital images of the sample surface are acquired. Digital Image Correlation is performed a posteriori in order to obtain the evolution of the crack length and the stress intensity factors. Further, a specific procedure is developed in order to perform the DIC analysis while the test is running. This allows to control the load so that a given value of the stress intensity factor is prescribed. With this innovative experimental technique, we perform experimental tests that allow to discriminate the effects between different stress corrosion cracking mechanisms. It is suggested that once a critical anodic polarization is exceeded, the crack growth rate depends on the stress intensity factor but also on its time derivative. Indeed, a threshold effect is obtained on the stress intensity factor, meaning that plasticity must increase for the dissolution reaction to occur, but also on its rate meaning that time for plasticity to produce new dislocations must not exceed the

  3. Effect of Mach number on thermoelectric performance of SiC ceramics nose-tip for supersonic vehicles

    International Nuclear Information System (INIS)

    Han, Xiao-Yi; Wang, Jun

    2014-01-01

    This paper focus on the effects of Mach number on thermoelectric energy conversion for the limitation of aero-heating and the feasibility of energy harvesting on supersonic vehicles. A model of nose-tip structure constructed with SiC ceramics is developed to numerically study the thermoelectric performance in a supersonic flow field by employing the computational fluid dynamics and the thermal conduction theory. Results are given in the cases of different Mach numbers. Moreover, the thermoelectric performance in each case is predicted with and without Thomson heat, respectively. Due to the increase of Mach number, both the temperature difference and the conductive heat flux between the hot side and the cold side of nose tip are increased. This results in the growth of the thermoelectric power generated and the energy conversion efficiency. With respect to the Thomson effect, over 50% of total power generated converts to Thomson heat, which greatly reduces the thermoelectric power and efficiency. However, whether the Thomson effect is considered or not, with the Mach number increasing from 2.5 to 4.5, the thermoelectric performance can be effectively improved. -- Highlights: • Thermoelectric SiC nose-tip structure for aerodynamic heat harvesting of high-speed vehicles is studied. • Thermoelectric performance is predicted based on numerical methods and experimental thermoelectric parameters. • The effects of Mach number on thermoelectric performance are studied in the present paper. • Results with respect to the Thomson effect are also explored. • Output power and energy efficiency of the thermoelectric nose-tip are increased with the increase of Mach number

  4. MOSAIC: a multiscale model of osteogenesis and sprouting angiogenesis with lateral inhibition of endothelial cells.

    Directory of Open Access Journals (Sweden)

    Aurélie Carlier

    Full Text Available The healing of a fracture depends largely on the development of a new blood vessel network (angiogenesis in the callus. During angiogenesis tip cells lead the developing sprout in response to extracellular signals, amongst which vascular endothelial growth factor (VEGF is critical. In order to ensure a correct development of the vasculature, the balance between stalk and tip cell phenotypes must be tightly controlled, which is primarily achieved by the Dll4-Notch1 signaling pathway. This study presents a novel multiscale model of osteogenesis and sprouting angiogenesis, incorporating lateral inhibition of endothelial cells (further denoted MOSAIC model through Dll4-Notch1 signaling, and applies it to fracture healing. The MOSAIC model correctly predicted the bone regeneration process and recapitulated many experimentally observed aspects of tip cell selection: the salt and pepper pattern seen for cell fates, an increased tip cell density due to the loss of Dll4 and an excessive number of tip cells in high VEGF environments. When VEGF concentration was even further increased, the MOSAIC model predicted the absence of a vascular network and fracture healing, thereby leading to a non-union, which is a direct consequence of the mutual inhibition of neighboring cells through Dll4-Notch1 signaling. This result was not retrieved for a more phenomenological model that only considers extracellular signals for tip cell migration, which illustrates the importance of implementing the actual signaling pathway rather than phenomenological rules. Finally, the MOSAIC model demonstrated the importance of a proper criterion for tip cell selection and the need for experimental data to further explore this. In conclusion, this study demonstrates that the MOSAIC model creates enhanced capabilities for investigating the influence of molecular mechanisms on angiogenesis and its relation to bone formation in a more mechanistic way and across different time and spatial

  5. Study on unsteady tip leakage vortex cavitation in an axial-flow pump using an improved filter-based model

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Desheng; Shi, Lei; Zhao, Ruijie; Shi, Weidong; Pan, Qiang [Jiangsu University, Zhenjiang (China); Esch, B. P. [Eindhoven University of Technology, Eindhoven (Netherlands)

    2017-02-15

    The aim of the present investigation is to simulate and analyze the tip leakage flow structure and instantaneous evolution of tip vortex cavitation in a scaled axial-flow pump model. The improved filter-based turbulence model based on the density correction and a homogeneous cavitation model were used for implementing this work. The results show that when entering into the tip clearance, the backward flow separates from the blade tip near the pressure side, resulting in the generation of a corner vortex with high magnitude of turbulence kinetic energy. Then, at the exit of the tip clearance, the leakage jets would re-attach on the blade tip wall. Moreover, the maximum swirling strength method was employed in identifying the TLV core and a counter-rotating induced vortex near the end-wall successfully. The three dimensional cavitation patterns and in-plain cavitation structures obtained by the improved numerical method agree well with the experimental results. At the sheet cavitation trailing edge in the tip region, the perpendicular cavitation cloud induced by TLV sheds and migrates toward the pressure side of the neighboring blade. During its migration, it breaks down abruptly and generates a large number of smallscale cavities, leading to severe degradation of the pump performance, which is similar with the phenomenon observed by Tan et al.

  6. Glu-311 in External Loop 4 of the Sodium/Proline Transporter PutP Is Crucial for External Gate Closure.

    Science.gov (United States)

    Bracher, Susanne; Guérin, Kamila; Polyhach, Yevhen; Jeschke, Gunnar; Dittmer, Sophie; Frey, Sabine; Böhm, Maret; Jung, Heinrich

    2016-03-04

    The available structural information on LeuT and structurally related transporters suggests that external loop 4 (eL4) and the outer end of transmembrane domain (TM) 10' participate in the reversible occlusion of the outer pathway to the solute binding sites. Here, the functional significance of eL4 and the outer region of TM10' are explored using the sodium/proline symporter PutP as a model. Glu-311 at the tip of eL4, and various amino acids around the outer end of TM10' are identified as particularly crucial for function. Substitutions at these sites inhibit the transport cycle, and affect in part ligand binding. In addition, changes at selected sites induce a global structural alteration in the direction of an outward-open conformation. It is suggested that interactions between the tip of eL4 and the peptide backbone at the end of TM10' participate in coordinating conformational alterations underlying the alternating access mechanism of transport. Together with the structural information on LeuT-like transporters, the results further specify the idea that common design and functional principles are maintained across different transport families. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  7. AFM tip-sample convolution effects for cylinder protrusions

    Science.gov (United States)

    Shen, Jian; Zhang, Dan; Zhang, Fei-Hu; Gan, Yang

    2017-11-01

    A thorough understanding about the AFM tip geometry dependent artifacts and tip-sample convolution effect is essential for reliable AFM topographic characterization and dimensional metrology. Using rigid sapphire cylinder protrusions (diameter: 2.25 μm, height: 575 nm) as the model system, a systematic and quantitative study about the imaging artifacts of four types of tips-two different pyramidal tips, one tetrahedral tip and one super sharp whisker tip-is carried out through comparing tip geometry dependent variations in AFM topography of cylinders and constructing the rigid tip-cylinder convolution models. We found that the imaging artifacts and the tip-sample convolution effect are critically related to the actual inclination of the working cantilever, the tip geometry, and the obstructive contacts between the working tip's planes/edges and the cylinder. Artifact-free images can only be obtained provided that all planes and edges of the working tip are steeper than the cylinder sidewalls. The findings reported here will contribute to reliable AFM characterization of surface features of micron or hundreds of nanometers in height that are frequently met in semiconductor, biology and materials fields.

  8. Recombination model and baryon production by pp and πp collisions

    International Nuclear Information System (INIS)

    Takasugi, E.; Tata, X.

    1979-12-01

    The recombination model predictions for baryon production, using modified Kuti-Weisskopf structure functions, are in good agreement with the pp and πp collision data. The indistinguishability of sea quarks naturally accounts for the difference in the p and anti p spectra in the pion fragmentation region. 4 figures, 2 tables

  9. Uncertainty analysis for a field-scale P loss model

    Science.gov (United States)

    Models are often used to predict phosphorus (P) loss from agricultural fields. While it is commonly recognized that model predictions are inherently uncertain, few studies have addressed prediction uncertainties using P loss models. In this study we assessed the effect of model input error on predic...

  10. Approaches to Learning or Levels of Processing: What Did Marton and Säljö (1976a) Really Say? the Legacy of the Work of the Göteborg Group in the 1970s

    Science.gov (United States)

    Richardson, John T.

    2015-01-01

    Marton and Säljö ("Br J Educ Psychol" 46:4-11, 1976a) described deep-level and surface-level processing in experiments in which students read and recalled academic texts. They did not discuss whether levels of processing had any counterparts in students' everyday studies. However, their article is often credited as the source of the…

  11. Alar setback technique: a controlled method of nasal tip deprojection.

    Science.gov (United States)

    Foda, H M

    2001-11-01

    To describe an alar cartilage-modifying technique aimed at decreasing nasal tip projection in cases with overdeveloped alar cartilages and to compare it with other deprojection techniques used to correct such deformity. Selected case series. University and private practice settings in Alexandria, Egypt. Twenty patients presenting for rhinoplasty who had overprojected nasal tips primarily due to overdeveloped alar cartilages. All cases were primary cases except for one patient, who had undergone 2 previous rhinoplasties. An external rhinoplasty approach was used to set back the alar cartilages by shortening their medial and lateral crura. The choice of performing a high or low setback depended on the preexisting lobule-to-columella ratio. Following the setback, the alar cartilages were reconstructed in a fashion that increased the strength and stability of the tip complex. Subjective evaluation included clinical examination, analysis of preoperative and postoperative photographs, and patient satisfaction. Objective evaluation of nasal tip projection, using the Goode ratio and the nasofacial angle, was performed preoperatively and repeated at least 6 months postoperatively. A low setback was performed in 16 cases (80%) and a high setback in 4 (20%). The mean follow-up period was 18 months (range, 6-36 months). The technique effectively deprojected the nasal tip as evidenced by the considerable postoperative decrease in values of the Goode ratio and the nasofacial angle. No complications were encountered and no revision surgical procedures were required. The alar setback technique has many advantages; it results in precise predictable amounts of deprojection, controls the degree of tip rotation, preserves the natural contour of the nasal tip, respects the tip support mechanisms, increases the strength and stability of nasal tip complex, preserves or restores the normal lobule-to-columella proportion, and does not lead to alar flaring. However, the technique requires

  12. Results of the radiological survey at 112 Columbia Lane, Lodi, New Jersey (LJ068)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.F.

    1989-11-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 112 Columbia Lane, Lodi, New Jersey (LJ068), was conducted during 1987. 4 refs., 6 figs., 3 tabs

  13. Chemical Bonding, Interdiffusion and Electronic Structure at InP, GaAs, and Si-Metal Interfaces.

    Science.gov (United States)

    1985-10-01

    4. H.H. Wieder, J. Vac. Sci. Technol. 15, 1498 (1978). C. 5. W.E. Spicer, 1. Lindau, P. Skeath, C.Y. Su, and P. Chye , Phys. Rev. Lett. 44, 10 420...Spicer, Solid State Electron. 28 307 (1985). 25. N. Newman, K.K. Chin , W.G. Petro, T. Kendelewicz, M.D. Williams, C.E. McCants, and W.E. Spicer, J. Vac...Technol. 19, 661 (1981). 11. Y. Shapira, L.J. Brillson and A. Heller, J. Vac. Sci. U Technol., Al, 766 (1983). 12. P.W. Chye , I. Lindau, P. Pianetta, C.M

  14. Twelve tips for applying change models to curriculum design, development and delivery.

    Science.gov (United States)

    McKimm, Judy; Jones, Paul Kneath

    2017-10-25

    Drawing primarily from business and management literature and the authors' experience, these 12 tips provide guidance to organizations, teams, and individuals involved in curriculum or program development at undergraduate, postgraduate, and continuing education levels. The tips are based around change models and approaches and can help underpin successful curriculum review, development, and delivery, as well as fostering appropriate educational innovation. A range of tools exist to support systematic program development and review, but even relatively simple changes need to take account of many factors, including the complexity of the environment, stakeholder engagement, cultural and psychological aspects, and the importance of followers.

  15. Predicting Graduation Rates at 4-Year Broad Access Institutions Using a Bayesian Modeling Approach

    Science.gov (United States)

    Crisp, Gloria; Doran, Erin; Salis Reyes, Nicole A.

    2018-01-01

    This study models graduation rates at 4-year broad access institutions (BAIs). We examine the student body, structural-demographic, and financial characteristics that best predict 6-year graduation rates across two time periods (2008-2009 and 2014-2015). A Bayesian model averaging approach is utilized to account for uncertainty in variable…

  16. Study of the quasi-two body processes including Σ(1385) production in π-p and K-p reactions at 4 GeV/c

    International Nuclear Information System (INIS)

    Aguilar-Benitez, M.; Salicio, J.

    1981-01-01

    An analysis of (1385) production in reactions of the type 0 + 1/z 4 +→>-1 + 3+/2 and 0 - + 1/2+→ 0 - + 3*/2 is presented. A determination of the Σ(1385) production parameters Is performed and the results are compared with the predictions from several models. A transversity amplitudes reconstruction describing the processes π p ->K(890) Σ(1385) and K - p → 3→φ(1385), ζ - Σ(1385) is obtained in a model independent way. We observe dominance of unnatural partly exchange in the production mechanisms. Exchanges of exotic quantum numbers are established by the study of πp → K 0 + Σ(1385)s and K - p→>π+Σ(1385)± processes. Additive quark model predictions are reasonable agreement with the experimental data. (Author)

  17. Effects of plastic anisotropy on crack-tip behaviour

    DEFF Research Database (Denmark)

    Legarth, Brian Nyvang; Tvergaard, Viggo; Kuroda, Mitsutoshi

    2002-01-01

    For a crack in a homogeneous material the effect of plastic anisotropy on crack-tip blunting and on the near-tip stress and strain fields is analyzed numerically. The full finite strain analyses are carried out for plane strain under small scale yielding conditions, with purely symmetric mode I...... loading remote from the crack-tip. In cases where the principal axes of the anisotropy are inclined to the plane of the crack it is found that the plastic zones as well as the stress and strain fields just around the blunted tip of the crack become non-symmetric. In these cases the peak strain...... on the blunted tip occurs off the center line of the crack, thus indicating that the crack may want to grow in a different direction. When the anisotropic axes are parallel to the crack symmetry is retained, but the plastic zones and the near-tip fields still differ from those predicted by standard isotropic...

  18. Prediction of pKa values using the PM6 semiempirical method

    Directory of Open Access Journals (Sweden)

    Jimmy C. Kromann

    2016-08-01

    Full Text Available The PM6 semiempirical method and the dispersion and hydrogen bond-corrected PM6-D3H+ method are used together with the SMD and COSMO continuum solvation models to predict pKa values of pyridines, alcohols, phenols, benzoic acids, carboxylic acids, and phenols using isodesmic reactions and compared to published ab initio results. The pKa values of pyridines, alcohols, phenols, and benzoic acids considered in this study can generally be predicted with PM6 and ab initio methods to within the same overall accuracy, with average mean absolute differences (MADs of 0.6–0.7 pH units. For carboxylic acids, the accuracy (0.7–1.0 pH units is also comparable to ab initio results if a single outlier is removed. For primary, secondary, and tertiary amines the accuracy is, respectively, similar (0.5–0.6, slightly worse (0.5–1.0, and worse (1.0–2.5, provided that di- and tri-ethylamine are used as reference molecules for secondary and tertiary amines. When applied to a drug-like molecule where an empirical pKa predictor exhibits a large (4.9 pH unit error, we find that the errors for PM6-based predictions are roughly the same in magnitude but opposite in sign. As a result, most of the PM6-based methods predict the correct protonation state at physiological pH, while the empirical predictor does not. The computational cost is around 2–5 min per conformer per core processor, making PM6-based pKa prediction computationally efficient enough to be used for high-throughput screening using on the order of 100 core processors.

  19. Losses and blade tip clearance for a centrifugal compressor

    Directory of Open Access Journals (Sweden)

    Oana DUMITRESCU

    2018-06-01

    Full Text Available The present paper presents the numerical analysis for a transonic centrifugal compressor using steady state CFD. The blade tip clearance effect over the position of shock waves, tip losses and the performances of the impeller are studied. Numerical simulations have been performed using RANS modelling, with the k-omega SST turbulence model (Shear Stress Transport. Eight cases were taken into consideration for the impeller with the following blade tip clearances values: 0 mm, 0.1 mm, 0.3 mm, 0.4 mm, 0.5mm, 0.7 mm, 1 mm, 2 mm, at the same operating conditions. For the entire stage only seven cases were studied, without the value for 0.1 mm because of its abnormal behaviour, as can be seen in the case of the impeller simulations. Results showed that the position of the shock wave does not change with the increase of the tip clearance. Aerodynamic losses due to shock wave, secondary flow and turbulence can be seen in the polytropic efficiency of the centrifugal impeller and the difference between the two extreme cases is about 3.2 %.

  20. The role of the dendritic growth model dimensionality in predicting the Columnar to Equiaxed Transition (CET)

    Science.gov (United States)

    Seredyński, M.; Rebow, M.; Banaszek, J.

    2017-06-01

    The dendrite tip kinetics model accuracy relies on the reliability of the stability constant used, which is usually experimentally determined for 3D situations and applied to 2D models. The paper reports authors` attempts to cure the situation by deriving 2D dendritic tip scaling parameter for aluminium-based alloy: Al-4wt%Cu. The obtained parameter is then incorporated into the KGT dendritic growth model in order to compare it with the original 3D KGT counterpart and to derive two-dimensional and three-dimensional versions of the modified Hunt's analytical model for the columnar-to-equiaxed transition (CET). The conclusions drawn from the above analysis are further confirmed through numerical calculations of the two cases of Al-4wt%Cu metallic alloy solidification using the front tracking technique. Results, including the porous zone-under-cooled liquid front position, the calculated solutal under-cooling, the average temperature gradient at a front of the dendrite tip envelope and a new predictor of the relative tendency to form an equiaxed zone, are shown, compared and discussed for two numerical cases. The necessity to calculate sufficiently precise values of the tip scaling parameter in 2D and 3D is stressed.

  1. Design and Synthesis of a Novel Class of Flavonoid Derivatives via Sequential Phosphorylation and its Application for Greener Nanoparticle Synthesis

    Science.gov (United States)

    Osonga, Francis Juma

    Flavonoids exhibit arrays of biological effects that are beneficial to humans, including anti-viral, anti-oxidative, anti-inflammatory and anti-carcinogenic effects. However, these applications have been hindered by their poor stability and solubility in common solvents. Consequently, there is significant interest in the modification of flavonoids to improve their solubility. This poor solubility is also believed to be responsible for its permeability and bioavailability. Hence the central goal of this work is to design synthetic strategies for the sequential protection of the -OH groups in order to produce phosphorylated quercetin and apigenin derivatives. This work is divided into two parts: the first part presents the design, synthesis, and characterization of novel flavonoid derivatives via global and sequential phosphorylation. The second part focuses on the application of the synthesized derivatives for greener nanoparticle synthesis. This work shows for the first time that sequential phosphorylation of Quercetin is feasible through the design of 4 new derivatives namely: 5,4'-O-Quercetin Diphosphate (QDPI), 4'-O-phosphate Quercetin (4'-QPI), 5,4'-Quercetin Diphosphate (5,4'-QDP) and monophosphate 4-QP. The synthesis of 4'-QP and 5, 4'-QDP was successful with 85% and 60.5% yields respectively. In addition, the progress towards the total synthesis of apigenin phosphate derivatives (7, 4'-ADP and 7-AP) is presented. The synthesized derivatives were characterized using 1H, 13C, and 31P NMR. The phosphorylated derivatives were subsequently explored as reducing agents for sustainable synthesis of gold, silver and copper nanoparticles. We have successfully demonstrated the photochemical synthesis of gold nanoplates of sizes ranging from 10 - 200 nm using water soluble QDP in the presence of sunlight. This work contributes immensely in promoting the ideals of green nanosynthesis by (i) eliminating the use of organic solvents in the nanosynthesis, (ii) exploiting the

  2. Big Bang Titanic: New Dark Energy (Vacuum Gravity) Cosmic Model Emerges Upon Falsification of The Big Bang By Disproof of Its Central Assumptions

    Science.gov (United States)

    Gentry, Robert

    2011-04-01

    Physicists who identify the big bang with the early universe should have first noted from Hawking's A Brief History of Time, p. 42, that he ties Hubble's law to Doppler shifts from galaxy recession from a nearby center, not to bb's unvalidated and thus problematical expansion redshifts. Our PRL submission LJ12135 describes such a model, but in it Hubble's law is due to Doppler and vacuum gravity effects, the 2.73K CBR is vacuum gravity shifted blackbody cavity radiation from an outer galactic shell, and its (1 + z)-1 dilation and (M,z) relations closely fit high-z SNe Ia data; all this strongly implies our model's vacuum energy is the elusive dark energy. We also find GPS operation's GR effects falsify big bang's in-flight expansion redshift paradigm, and hence the big bang, by showing λ changes occur only at emission. Surprisingly we also discover big bang's CBR prediction is T 0, while galactic photons shrink dλ/dt < 0. Contrary to a PRL editor's claim, the above results show LJ12135 fits PRL guidelines for papers that replace established theories. For details see alphacosmos.net.

  3. A model-adaptivity method for the solution of Lennard-Jones based adhesive contact problems

    Science.gov (United States)

    Ben Dhia, Hachmi; Du, Shuimiao

    2018-05-01

    The surface micro-interaction model of Lennard-Jones (LJ) is used for adhesive contact problems (ACP). To address theoretical and numerical pitfalls of this model, a sequence of partitions of contact models is adaptively constructed to both extend and approximate the LJ model. It is formed by a combination of the LJ model with a sequence of shifted-Signorini (or, alternatively, -Linearized-LJ) models, indexed by a shift parameter field. For each model of this sequence, a weak formulation of the associated local ACP is developed. To track critical localized adhesive areas, a two-step strategy is developed: firstly, a macroscopic frictionless (as first approach) linear-elastic contact problem is solved once to detect contact separation zones. Secondly, at each shift-adaptive iteration, a micro-macro ACP is re-formulated and solved within the multiscale Arlequin framework, with significant reduction of computational costs. Comparison of our results with available analytical and numerical solutions shows the effectiveness of our global strategy.

  4. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    Energy Technology Data Exchange (ETDEWEB)

    Kadoura, Ahmad, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Sun, Shuyu, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa [Computational Transport Phenomena Laboratory, The Earth Sciences and Engineering Department, The Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia); Siripatana, Adil, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Hoteit, Ibrahim, E-mail: ibrahim.hoteit@kaust.edu.sa [Earth Fluid Modeling and Predicting Group, The Earth Sciences and Engineering Department, The Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia); Knio, Omar, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa [Uncertainty Quantification Center, The Applied Mathematics and Computational Science Department, The Computer, Electrical and Mathematical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia)

    2016-06-07

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH{sub 4}, N{sub 2}, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO{sub 2} and C{sub 2} H{sub 6}.

  5. CPAP Tips

    Medline Plus

    Full Text Available ... sleeping? Here are some tips from the U.S. Food and Drug Administration (FDA) on how to safely and effectively use your CPAP device. Category ... Ambulance Service 21,588 views 4:34 Obstructive Sleep Apnea ...

  6. Applying machine learning to predict patient-specific current CD 4 ...

    African Journals Online (AJOL)

    This work shows the application of machine learning to predict current CD4 cell count of an HIV-positive patient using genome sequences, viral load and time. A regression model predicting actual CD4 cell counts and a classification model predicting if a patient's CD4 cell count is less than 200 was built using a support ...

  7. Tip-over Prevention: Adaptive Control Development

    Science.gov (United States)

    2015-05-30

    Tip-over Prevention: Adaptive Control Development Leah Kelley Massachusetts Institute of Technology Cambridge, MA 02139 Email: lckelley@mit.edu Kurt...Papadopoulos and D. Rey, Proc. IEEE ICRA, vol.4, 1996, pp. 3111. [7] S. Ali, A. Moosavian, and K. Alipour, Robotics, Automation and Mechatronics , 2006 IEEE Conf...on, 2006, pp. 1–6. [8] K. Talke, L. Kelley, P. Longhini, and G. Catron, Proc. SPIE 9084, Unmanned Systems Technology XVI, June 2014, pp. 90 840L–11

  8. Tip Clearance Control Using Plasma Actuators

    Science.gov (United States)

    2007-03-01

    Clearance Control Using Plasma Actuators 4 posed by Denton (1993). A number of investigators have used partial shrouds, or " winglet " designs to...SDBD actuator Plasma enhanced aerodynamics has been demonstrated in a range of applications involving sepa- ration control, lift enhancement, drag... aerodynamic benefits of a squealer tip geometry. Specifically, the squealer tip is known to reduce the discharge coefficient of the tip gap, thereby

  9. Development and Validation of a Predictive Model for Functional Outcome After Stroke Rehabilitation: The Maugeri Model.

    Science.gov (United States)

    Scrutinio, Domenico; Lanzillo, Bernardo; Guida, Pietro; Mastropasqua, Filippo; Monitillo, Vincenzo; Pusineri, Monica; Formica, Roberto; Russo, Giovanna; Guarnaschelli, Caterina; Ferretti, Chiara; Calabrese, Gianluigi

    2017-12-01

    Prediction of outcome after stroke rehabilitation may help clinicians in decision-making and planning rehabilitation care. We developed and validated a predictive tool to estimate the probability of achieving improvement in physical functioning (model 1) and a level of independence requiring no more than supervision (model 2) after stroke rehabilitation. The models were derived from 717 patients admitted for stroke rehabilitation. We used multivariable logistic regression analysis to build each model. Then, each model was prospectively validated in 875 patients. Model 1 included age, time from stroke occurrence to rehabilitation admission, admission motor and cognitive Functional Independence Measure scores, and neglect. Model 2 included age, male gender, time since stroke onset, and admission motor and cognitive Functional Independence Measure score. Both models demonstrated excellent discrimination. In the derivation cohort, the area under the curve was 0.883 (95% confidence intervals, 0.858-0.910) for model 1 and 0.913 (95% confidence intervals, 0.884-0.942) for model 2. The Hosmer-Lemeshow χ 2 was 4.12 ( P =0.249) and 1.20 ( P =0.754), respectively. In the validation cohort, the area under the curve was 0.866 (95% confidence intervals, 0.840-0.892) for model 1 and 0.850 (95% confidence intervals, 0.815-0.885) for model 2. The Hosmer-Lemeshow χ 2 was 8.86 ( P =0.115) and 34.50 ( P =0.001), respectively. Both improvement in physical functioning (hazard ratios, 0.43; 0.25-0.71; P =0.001) and a level of independence requiring no more than supervision (hazard ratios, 0.32; 0.14-0.68; P =0.004) were independently associated with improved 4-year survival. A calculator is freely available for download at https://goo.gl/fEAp81. This study provides researchers and clinicians with an easy-to-use, accurate, and validated predictive tool for potential application in rehabilitation research and stroke management. © 2017 American Heart Association, Inc.

  10. Local measurement and numerical modeling of mass/heat transfer from a turbine blade in a linear cascade with tip clearance

    Science.gov (United States)

    Jin, Peitong

    2000-11-01

    Local mass/heat transfer measurements from the turbine blade near-tip and the tip surfaces are performed using the naphthalene sublimation technique. The experiments are conducted in a linear cascade consisting of five high-pressure blades with a central test-blade configuration. The incoming flow conditions are close to those of the gas turbine engine environment (boundary layer displacement thickness is about 0.01 of chord) with an exit Reynolds number of 6.2 x 105. The effects of tip clearance level (0.86%--6.90% of chord), mainstream Reynolds number and turbulence intensity (0.2 and 12.0%) are investigated. Two methods of flow visualization---oil and lampblack, laser light sheet smoke wire---as well as static pressure measurement on the blade surface are used to study the tip leakage flow and vortex in the cascade. In addition, numerical modeling of the flow and heat transfer processes in the linear cascade with different tip clearances is conducted using commercial software incorporating advanced turbulence models. The present study confirms many important results on the tip leakage flow and vortex from the literature, contributes to the current understanding in the effects of tip leakage flow and vortex on local heat transfer from the blade near-tip and the tip surfaces, and provides detailed local and average heat/mass transfer data applicable to turbine blade tip cooling design.

  11. An Amphiphysin-Like Domain in Fus2p Is Required for Rvs161p Interaction and Cortical Localization

    Directory of Open Access Journals (Sweden)

    Richard A. Stein

    2016-02-01

    Full Text Available Cell–cell fusion fulfils essential roles in fertilization, development and tissue repair. In the budding yeast, Saccharomyces cerevisiae, fusion between two haploid cells of opposite mating type generates the diploid zygote. Fus2p is a pheromone-induced protein that regulates cell wall removal during mating. Fus2p shuttles from the nucleus to localize at the shmoo tip, bound to Rvs161p, an amphiphysin. However, Rvs161p independently binds a second amphiphysin, Rvs167p, playing an essential role in endocytosis. To understand the basis of the Fus2p–Rvs161p interaction, we analyzed Fus2p structural domains. A previously described N-terminal domain (NTD is necessary and sufficient to regulate nuclear/cytoplasmic trafficking of Fus2p. The Dbl homology domain (DBH binds GTP-bound Cdc42p; binding is required for cell fusion, but not localization. We identified an approximately 200 amino acid region of Fus2p that is both necessary and sufficient for Rvs161p binding. The Rvs161p binding domain (RBD contains three predicted alpha-helices; structural modeling suggests that the RBD adopts an amphiphysin-like structure. The RBD contains a 13-amino-acid region, conserved with Rvs161p and other amphiphysins, which is essential for binding. Mutations in the RBD, predicted to affect membrane binding, abolish cell fusion without affecting Rvs161p binding. We propose that Fus2p/Rvs161p form a novel heterodimeric amphiphysin required for cell fusion. Rvs161p binding is required but not sufficient for Fus2p localization. Mutations in the C-terminal domain (CTD of Fus2p block localization, but not Rvs161p binding, causing a significant defect in cell fusion. We conclude that the Fus2p CTD mediates an additional, Rvs161p-independent interaction at the shmoo tip.

  12. The 4s- and 4p- XPS spectra of Xe, XeF2 and XeF4

    International Nuclear Information System (INIS)

    Ohno, Masahide

    2003-01-01

    The 4s- and 4p- XPS spectra of Xe gas, XeF 2 molecule and XeF 4 molecule are calculated by an ab-initio atomic many-body theory. The 4s-peak and the prominent '4p'-peak are predicted well by the present theory. In XeF 2 and XeF 4 the spectral lines observed below the 4d-double ionization threshold are the 4d -2 4f multiplet states strongly perturbed by the interaction with the initial 4p 1/2 -hole state. They are very similar to the spectral lines which emerge with an increase in atomic number (e.g. Ba)

  13. QSAR Modeling and Prediction of Drug-Drug Interactions.

    Science.gov (United States)

    Zakharov, Alexey V; Varlamova, Ekaterina V; Lagunin, Alexey A; Dmitriev, Alexander V; Muratov, Eugene N; Fourches, Denis; Kuz'min, Victor E; Poroikov, Vladimir V; Tropsha, Alexander; Nicklaus, Marc C

    2016-02-01

    Severe adverse drug reactions (ADRs) are the fourth leading cause of fatality in the U.S. with more than 100,000 deaths per year. As up to 30% of all ADRs are believed to be caused by drug-drug interactions (DDIs), typically mediated by cytochrome P450s, possibilities to predict DDIs from existing knowledge are important. We collected data from public sources on 1485, 2628, 4371, and 27,966 possible DDIs mediated by four cytochrome P450 isoforms 1A2, 2C9, 2D6, and 3A4 for 55, 73, 94, and 237 drugs, respectively. For each of these data sets, we developed and validated QSAR models for the prediction of DDIs. As a unique feature of our approach, the interacting drug pairs were represented as binary chemical mixtures in a 1:1 ratio. We used two types of chemical descriptors: quantitative neighborhoods of atoms (QNA) and simplex descriptors. Radial basis functions with self-consistent regression (RBF-SCR) and random forest (RF) were utilized to build QSAR models predicting the likelihood of DDIs for any pair of drug molecules. Our models showed balanced accuracy of 72-79% for the external test sets with a coverage of 81.36-100% when a conservative threshold for the model's applicability domain was applied. We generated virtually all possible binary combinations of marketed drugs and employed our models to identify drug pairs predicted to be instances of DDI. More than 4500 of these predicted DDIs that were not found in our training sets were confirmed by data from the DrugBank database.

  14. Mitigation of tip vortex cavitation by means of air injection on a Kaplan turbine scale model

    International Nuclear Information System (INIS)

    Rivetti, A; Angulo, M; Lucino, C; Liscia, S

    2014-01-01

    Kaplan turbines operating at full-load conditions may undergo excessive vibration, noise and cavitation. In such cases, damage by erosion associated to tip vortex cavitation can be observed at the discharge ring. This phenomenon involves design features such as (1) overhang of guide vanes; (2) blade profile; (3) gap increasing size with blade opening; (4) suction head; (5) operation point; and (6) discharge ring stiffness, among others. Tip vortex cavitation may cause erosion at the discharge ring and draft tube inlet following a wavy pattern, in which the number of vanes can be clearly identified. Injection of pressurized air above the runner blade centerline was tested as a mean to mitigate discharge ring cavitation damage on a scale model. Air entrance was observed by means of a high-speed camera in order to track the air trajectory toward its mergence with the tip vortex cavitation core. Post-processing of acceleration signals shows that the level of vibration and the RSI frequency amplitude decrease proportionally with air flow rate injected. These findings reveal the potential mitigating effect of air injection in preventing cavitation damage and will be useful in further tests to be performed on prototype, aiming at determining the optimum air flow rate, size and distribution of the injectors

  15. Mitigation of tip vortex cavitation by means of air injection on a Kaplan turbine scale model

    Science.gov (United States)

    Rivetti, A.; Angulo, M.; Lucino, C.; Liscia, S.

    2014-03-01

    Kaplan turbines operating at full-load conditions may undergo excessive vibration, noise and cavitation. In such cases, damage by erosion associated to tip vortex cavitation can be observed at the discharge ring. This phenomenon involves design features such as (1) overhang of guide vanes; (2) blade profile; (3) gap increasing size with blade opening; (4) suction head; (5) operation point; and (6) discharge ring stiffness, among others. Tip vortex cavitation may cause erosion at the discharge ring and draft tube inlet following a wavy pattern, in which the number of vanes can be clearly identified. Injection of pressurized air above the runner blade centerline was tested as a mean to mitigate discharge ring cavitation damage on a scale model. Air entrance was observed by means of a high-speed camera in order to track the air trajectory toward its mergence with the tip vortex cavitation core. Post-processing of acceleration signals shows that the level of vibration and the RSI frequency amplitude decrease proportionally with air flow rate injected. These findings reveal the potential mitigating effect of air injection in preventing cavitation damage and will be useful in further tests to be performed on prototype, aiming at determining the optimum air flow rate, size and distribution of the injectors.

  16. Reconciling the understanding of 'hydrophobicity' with physics-based models of proteins.

    Science.gov (United States)

    Harris, Robert C; Pettitt, B Montgomery

    2016-03-02

    The idea that a 'hydrophobic energy' drives protein folding, aggregation, and binding by favoring the sequestration of bulky residues from water into the protein interior is widespread. The solvation free energies (ΔGsolv) of small nonpolar solutes increase with surface area (A), and the free energies of creating macroscopic cavities in water increase linearly with A. These observations seem to imply that there is a hydrophobic component (ΔGhyd) of ΔGsolv that increases linearly with A, and this assumption is widely used in implicit solvent models. However, some explicit-solvent molecular dynamics studies appear to contradict these ideas. For example, one definition (ΔG(LJ)) of ΔGhyd is that it is the free energy of turning on the Lennard-Jones (LJ) interactions between the solute and solvent. However, ΔG(LJ) decreases with A for alanine and glycine peptides. Here we argue that these apparent contradictions can be reconciled by defining ΔGhyd to be a near hard core insertion energy (ΔGrep), as in the partitioning proposed by Weeks, Chandler, and Andersen. However, recent results have shown that ΔGrep is not a simple function of geometric properties of the molecule, such as A and the molecular volume, and that the free energy of turning on the attractive part of the LJ potential cannot be computed from first-order perturbation theory for proteins. The theories that have been developed from these assumptions to predict ΔGhyd are therefore inadequate for proteins.

  17. Pre-Liver Transplant: Tips Versus Distal Splenorenal Shunt

    Directory of Open Access Journals (Sweden)

    Thomas W. Faust

    1997-01-01

    Full Text Available Recurrent variceal bleeding in liver transplant candidates with end-stage liver disease can complicate or even prohibit a subsequent transplant procedure (OLT. Endoscopic sclero-therapy and medical therapy are considered as first-line management with surgical shunts reserved for refractory situations. Surgical shunts can be associated with a high mortality in this population and may complicate subsequent OLT. The transjugular intrahepatic portosystemic shunt (TIPS has been recommended in these patients as a bridge to OLT. This is a new modality that has not been compared with previously established therapies such as the distal splenorenal shunt (DSRS. In this study we report our experience with 35 liver transplant recipients who had a previous TIPS (18 patients or DSRS (17 patients for variceal bleeding. The TIPS group had a significantly larger proportion of critically ill and Child-Pugh C patients. Mean operating time was more prolonged in the DSRS group (P=0.014 but transfusion requirements were similar. Intraoperative portal vein blood flow measurements averaged 2132±725 ml/min in the TIPS group compared with 1120±351ml/min in the DSRS group (P<0.001. Arterial flows were similar. Mean ICU and hospital stays were similar. There were 3 hospital mortalities in the DSRS group and none in the TIPS group (P=0.1. We conclude that TIPS is a valuable tool in the management of recurrent variceal bleeding prior to liver transplantation. Intra0Perative hemodynamic measurements suggest a theoretical advantage with TIPS. In a group of patients with advanced liver disease we report an outcome that is similar to patients treated with DSRS prior to liver transplantation. The role of TIPS in the treatment of nontransplant candidates remains to be clarified.

  18. Adaptive LINE-P: An Adaptive Linear Energy Prediction Model for Wireless Sensor Network Nodes.

    Science.gov (United States)

    Ahmed, Faisal; Tamberg, Gert; Le Moullec, Yannick; Annus, Paul

    2018-04-05

    In the context of wireless sensor networks, energy prediction models are increasingly useful tools that can facilitate the power management of the wireless sensor network (WSN) nodes. However, most of the existing models suffer from the so-called fixed weighting parameter, which limits their applicability when it comes to, e.g., solar energy harvesters with varying characteristics. Thus, in this article we propose the Adaptive LINE-P (all cases) model that calculates adaptive weighting parameters based on the stored energy profiles. Furthermore, we also present a profile compression method to reduce the memory requirements. To determine the performance of our proposed model, we have used real data for the solar and wind energy profiles. The simulation results show that our model achieves 90-94% accuracy and that the compressed method reduces memory overheads by 50% as compared to state-of-the-art models.

  19. Variable Thumb Moment Arm Modeling and Thumb-Tip Force Production of a Human-Like Robotic Hand.

    Science.gov (United States)

    Niehues, Taylor D; Deshpande, Ashish D

    2017-10-01

    The anatomically correct testbed (ACT) hand mechanically simulates the musculoskeletal structure of the fingers and thumb of the human hand. In this work, we analyze the muscle moment arms (MAs) and thumb-tip force vectors in the ACT thumb in order to compare the ACT thumb's mechanical structure to the human thumb. Motion data are used to determine joint angle-dependent MA models, and thumb-tip three-dimensional (3D) force vectors are experimentally analyzed when forces are applied to individual muscles. Results are presented for both a nominal ACT thumb model designed to match human MAs and an adjusted model that more closely replicates human-like thumb-tip forces. The results confirm that the ACT thumb is capable of faithfully representing human musculoskeletal structure and muscle functionality. Using the ACT hand as a physical simulation platform allows us to gain a better understanding of the underlying biomechanical and neuromuscular properties of the human hand to ultimately inform the design and control of robotic and prosthetic hands.

  20. Results of the radiological survey at 70 State Highway 46, Lodi, New Jersey (LJ094)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.

    1989-11-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 70 State Highway 46, Lodi, New Jersey (LJ094), was conducted during 1988. 4 refs., 5 figs., 3 tabs

  1. RANS computations of tip vortex cavitation

    Science.gov (United States)

    Decaix, Jean; Balarac, Guillaume; Dreyer, Matthieu; Farhat, Mohamed; Münch, Cécile

    2015-12-01

    The present study is related to the development of the tip vortex cavitation in Kaplan turbines. The investigation is carried out on a simplified test case consisting of a NACA0009 blade with a gap between the blade tip and the side wall. Computations with and without cavitation are performed using a R ANS modelling and a transport equation for the liquid volume fraction. Compared with experimental data, the R ANS computations turn out to be able to capture accurately the development of the tip vortex. The simulations have also highlighted the influence of cavitation on the tip vortex trajectory.

  2. A comprehensive modeling and vibration analysis of AFM microcantilevers subjected to nonlinear tip-sample interaction forces

    International Nuclear Information System (INIS)

    Eslami, Sohrab; Jalili, Nader

    2012-01-01

    Precise and accurate representation of an Atomic Force Microscopy (AFM) system is essential in studying the effects of boundary interaction forces present between the probe's tip and the sample. In this paper, a comprehensive analytical model for the AFM system utilizing a distributed-parameters based approach is proposed. More specifically, we consider two important attributes of these systems; namely the rotary inertia and shear deformation when compared with the Euler–Bernoulli beam theory. Moreover, a comprehensive nonlinear interaction force is assumed between probe's and sample in order to reveal the response of the system more realistically. This nanoscale interaction force is based on a general form consisting of both attractive and repulsive components as well as a function of the tip-sample distance and the microcantilever's base and sample oscillations. Mechanical properties of the sample could interact with the nanomechanical coupling field between the probe' tip and sample and be implemented in studying the composition information of the sample and the ultra-small features inside it. Therefore, by modulating the dynamics of the AFM system such as the driving amplitude of the microcantilever the procedure for the subsurface imaging is described. The presented approach here could be implemented for designing the AFM probes by examining the tip-sample interaction forces dominant by the van der Waals forces. Several numerical case studies are presented and the force–distance diagram reveals that the proposed nonlinear nanomechanical force along with the distributed-parameters model for the microcantilever is able to fulfill the mechanics of the Lennard–Jones potential. -- Highlights: ► We present a comprehensive distributed-parameters model for AFM microcantilever. ► Assuming a nonlinear and implicit interaction force between tip and sample. ► Timoshenko beam is compared with the Euler–Bernoulli having the same force model. ► Frequency

  3. Prediction of promiscuous p-glycoprotein inhibition using a novel machine learning scheme.

    Directory of Open Access Journals (Sweden)

    Max K Leong

    Full Text Available BACKGROUND: P-glycoprotein (P-gp is an ATP-dependent membrane transporter that plays a pivotal role in eliminating xenobiotics by active extrusion of xenobiotics from the cell. Multidrug resistance (MDR is highly associated with the over-expression of P-gp by cells, resulting in increased efflux of chemotherapeutical agents and reduction of intracellular drug accumulation. It is of clinical importance to develop a P-gp inhibition predictive model in the process of drug discovery and development. METHODOLOGY/PRINCIPAL FINDINGS: An in silico model was derived to predict the inhibition of P-gp using the newly invented pharmacophore ensemble/support vector machine (PhE/SVM scheme based on the data compiled from the literature. The predictions by the PhE/SVM model were found to be in good agreement with the observed values for those structurally diverse molecules in the training set (n = 31, r(2 = 0.89, q(2 = 0.86, RMSE = 0.40, s = 0.28, the test set (n = 88, r(2 = 0.87, RMSE = 0.39, s = 0.25 and the outlier set (n = 11, r(2 = 0.96, RMSE = 0.10, s = 0.05. The generated PhE/SVM model also showed high accuracy when subjected to those validation criteria generally adopted to gauge the predictivity of a theoretical model. CONCLUSIONS/SIGNIFICANCE: This accurate, fast and robust PhE/SVM model that can take into account the promiscuous nature of P-gp can be applied to predict the P-gp inhibition of structurally diverse compounds that otherwise cannot be done by any other methods in a high-throughput fashion to facilitate drug discovery and development by designing drug candidates with better metabolism profile.

  4. Comparing Classical Water Models Using Molecular Dynamics to Find Bulk Properties

    Science.gov (United States)

    Kinnaman, Laura J.; Roller, Rachel M.; Miller, Carrie S.

    2018-01-01

    A computational chemistry exercise for the undergraduate physical chemistry laboratory is described. In this exercise, students use the molecular dynamics package Amber to generate trajectories of bulk liquid water for 4 different water models (TIP3P, OPC, SPC/E, and TIP4Pew). Students then process the trajectory to calculate structural (radial…

  5. Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation.

    Directory of Open Access Journals (Sweden)

    Luigi Capoferri

    Full Text Available Prediction of human Cytochrome P450 (CYP binding affinities of small ligands, i.e., substrates and inhibitors, represents an important task for predicting drug-drug interactions. A quantitative assessment of the ligand binding affinity towards different CYPs can provide an estimate of inhibitory activity or an indication of isoforms prone to interact with the substrate of inhibitors. However, the accuracy of global quantitative models for CYP substrate binding or inhibition based on traditional molecular descriptors can be limited, because of the lack of information on the structure and flexibility of the catalytic site of CYPs. Here we describe the application of a method that combines protein-ligand docking, Molecular Dynamics (MD simulations and Linear Interaction Energy (LIE theory, to allow for quantitative CYP affinity prediction. Using this combined approach, a LIE model for human CYP 1A2 was developed and evaluated, based on a structurally diverse dataset for which the estimated experimental uncertainty was 3.3 kJ mol-1. For the computed CYP 1A2 binding affinities, the model showed a root mean square error (RMSE of 4.1 kJ mol-1 and a standard error in prediction (SDEP in cross-validation of 4.3 kJ mol-1. A novel approach that includes information on both structural ligand description and protein-ligand interaction was developed for estimating the reliability of predictions, and was able to identify compounds from an external test set with a SDEP for the predicted affinities of 4.6 kJ mol-1 (corresponding to 0.8 pKi units.

  6. A study on tip leakage vortex dynamics and cavitation in axial-flow pump

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Lei; Zhang, Desheng; Jin, Yongxin; Shi, Weidong [Research Center of Fluid Machinery Engineering and Technology, Jiangsu University, Zhenjiang 212013 (China); Esch, B P M van, E-mail: zds@ujs.edu.cn [Department of Mechanical Engineering, Eindhoven University of Technology, Eindhoven 5600 MB (Netherlands)

    2017-06-15

    The tip leakage flows and related cavitation in the tip region of an axial-flow pump were investigated in detail using the numerical and experimental methods. The numerical results of the pump model performance were in good agreement with experimental data. The flow structures in the tip clearance were clarified clearly with detailed data involving the axial velocity and turbulent kinetic energy. When depicting the feature of vortex core, the advanced vortex identification method λ {sub 2}-criterion was used. Simultaneously, the minimum tension criterion was also applied to predict the cavitation inception for different flow rates and it is consistent with the distributions of vorticity and pressure in the vortex core. The roll-up process of TLV is highly three-dimensional and the entrainment would follow different paths. Then, both the numerical and experimental approaches show the cavitation patterns for different cavitation conditions, and it also finds that slight cavitation would promote the development of tip leakage vortex (TLV) while the TLV seems to be eliminated for a low cavitation number, especially before a specific location of blade tip due to the blade loading change induced by cavitation possibly. (paper)

  7. Identification and functional analysis of endothelial tip cell-enriched genes.

    Science.gov (United States)

    del Toro, Raquel; Prahst, Claudia; Mathivet, Thomas; Siegfried, Geraldine; Kaminker, Joshua S; Larrivee, Bruno; Breant, Christiane; Duarte, Antonio; Takakura, Nobuyuki; Fukamizu, Akiyoshi; Penninger, Josef; Eichmann, Anne

    2010-11-11

    Sprouting of developing blood vessels is mediated by specialized motile endothelial cells localized at the tips of growing capillaries. Following behind the tip cells, endothelial stalk cells form the capillary lumen and proliferate. Expression of the Notch ligand Delta-like-4 (Dll4) in tip cells suppresses tip cell fate in neighboring stalk cells via Notch signaling. In DLL4(+/-) mouse mutants, most retinal endothelial cells display morphologic features of tip cells. We hypothesized that these mouse mutants could be used to isolate tip cells and so to determine their genetic repertoire. Using transcriptome analysis of retinal endothelial cells isolated from DLL4(+/-) and wild-type mice, we identified 3 clusters of tip cell-enriched genes, encoding extracellular matrix degrading enzymes, basement membrane components, and secreted molecules. Secreted molecules endothelial-specific molecule 1, angiopoietin 2, and apelin bind to cognate receptors on endothelial stalk cells. Knockout mice and zebrafish morpholino knockdown of apelin showed delayed angiogenesis and reduced proliferation of stalk cells expressing the apelin receptor APJ. Thus, tip cells may regulate angiogenesis via matrix remodeling, production of basement membrane, and release of secreted molecules, some of which regulate stalk cell behavior.

  8. Influence of tip clearance on flow behavior and noise generation of centrifugal compressors in near-surge conditions

    International Nuclear Information System (INIS)

    Galindo, J.; Tiseira, A.; Navarro, R.; López, M.A.

    2015-01-01

    Highlights: • Centrifugal compressor aeroacoustics sensitivity to tip clearance is investigated. • 3 different clearance ratios are set in accordance to expected operating values. • Pressure spectra do not depend on tip clearance ratio in near-surge conditions. • DES performs better than URANS in predicting compressor acoustic signature. • Flow field observation reveals that tip clearance is immersed in rotating backflow. - Abstract: CFD has become an essential tool for researchers to analyze centrifugal compressors. Tip leakage flow is usually considered one of the main mechanisms that dictate compressor flow field and stability. However, it is a common practice to rely on CAD tip clearance, even though the gap between blades and shroud changes when compressor is running. In this paper, sensitivity of centrifugal compressor flow field and noise prediction to tip clearance ratio is investigated. 3D CFD simulations are performed with three different tip clearance ratios in accordance to expected operating values, extracted from shaft motion measurements and FEM predictions of temperature and rotational deformation. Near-surge operating conditions are simulated with URANS and DES. DES shows superior performance for acoustic predictions. Cases with reduced tip clearance present higher pressure ratio and isentropic efficiency, but no significant changes in compressor acoustic signature are found when varying clearance. In this working point, tip clearance is immersed in a region of strongly swirling backflow. Therefore, tip leakage cannot establish any coherent noise source mechanism

  9. Pressurized air injection in an axial hydro-turbine model for the mitigation of tip leakage cavitation

    Science.gov (United States)

    Rivetti, A.; Angulo, M.; Lucino, C.; Liscia, S.

    2015-12-01

    Tip leakage vortex cavitation in axial hydro-turbines may cause erosion, noise and vibration. Damage due to cavitation can be found at the tip of the runner blades on the low pressure side and the discharge ring. In some cases, the erosion follows an oscillatory pattern that is related to the number of guide vanes. That might suggest that a relationship exists between the flow through the guide vanes and the tip vortex cavitating core that induces this kind of erosion. On the other hand, it is known that air injection has a beneficial effect on reducing the damage by cavitation. In this paper, a methodology to identify the interaction between guide vanes and tip vortex cavitation is presented and the effect of air injection in reducing this particular kind of erosion was studied over a range of operating conditions on a Kaplan scale model. It was found that air injection, at the expense of slightly reducing the efficiency of the turbine, mitigates the erosive potential of tip leakage cavitation, attenuates the interaction between the flow through the guide vanes and the tip vortex and decreases the level of vibration of the structural components.

  10. Results of the radiological survey at 10 Hancock Street, Lodi, New Jersey (LJ031)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.F.; Crutcher, J.W.

    1989-06-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling from radionuclide analyses. The survey of this site, 10 Hancock Street, Lodi, New Jersey (LJ031), was conducted during 1985 and 1986. Results of the survey demonstrated radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions are typical of the type of material originating from the MCW site. 4 refs., 4 figs., 3 tabs

  11. Results of the radiological survey at 19 Redstone Lane, Lodi, New Jersey (LJ056)

    International Nuclear Information System (INIS)

    Cottrell, W.D.; Floyd, L.M.; Francis, M.W.; Mynatt, J.O.

    1989-10-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 19 Redstone Lane, Lodi, New Jersey (LJ056), was conducted during 1985 and 1986. Results of the survey demonstrated no radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions were not significantly different from normal background levels in the northern New Jersey area. 4 refs., 4 figs., 3 tabs

  12. Results of the radiological survey at 1 Branca Court, Lodi, New Jersey (LJ034)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.F.

    1989-10-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 1 Branca Court, Lodi, New Jersey (LJ034), was conducted during 1985 and 1986. Results of the survey demonstrated no radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action program criteria. The radionuclide distributions were not significantly different from normal background levels in the northern New Jersey area. 4 refs., 4 figs., 3 tabs

  13. Improved prediction of signal peptides: SignalP 3.0

    DEFF Research Database (Denmark)

    Bendtsen, Jannick Dyrløv; Nielsen, Henrik; von Heijne, G.

    2004-01-01

    We describe improvements of the currently most popular method for prediction of classically secreted proteins, SignalP. SignalP consists of two different predictors based on neural network and hidden Markov model algorithms, where both components have been updated. Motivated by the idea that the ...

  14. Depletion of Tip60 from In Vivo Cardiomyocytes Increases Myocyte Density, Followed by Cardiac Dysfunction, Myocyte Fallout and Lethality.

    Directory of Open Access Journals (Sweden)

    Joseph B Fisher

    Full Text Available Tat-interactive protein 60 (Tip60, encoded by the Kat5 gene, is a member of the MYST family of acetyltransferases. Cancer biology studies have shown that Tip60 induces the DNA damage response, apoptosis, and cell-cycle inhibition. Although Tip60 is expressed in the myocardium, its role in cardiomyocytes (CMs is unclear. Earlier studies here showed that application of cardiac stress to globally targeted Kat5+/-haploinsufficient mice resulted in inhibition of apoptosis and activation of the CM cell-cycle, despite only modest reduction of Tip60 protein levels. It was therefore of interest to ascertain the effects of specifically and substantially depleting Tip60 from CMs using Kat5LoxP/-;Myh6-Cre mice in the absence of stress. We report initial findings using this model, in which the effects of specifically depleting Tip60 protein from ventricular CMs, beginning at early neonatal stages, were assessed in 2-12 week-old mice. Although 5'-bromodeoxyuridine immunostaining indicated that CM proliferation was not altered at any of these stages, CM density was increased in 2 week-old ventricles, which persisted in 4 week-old hearts when TUNEL staining revealed inhibition of apoptosis. By week 4, levels of connexin-43 were depleted, and its patterning was dysmorphic, concomitant with an increase in cardiac hypertrophy marker expression and interstitial fibrosis. This was followed by systolic dysfunction at 8 weeks, after which extensive apoptosis and CM fallout occurred, followed by lethality as mice approached 12 weeks of age. In summary, chronic depletion of Tip60 from the ventricular myocardium beginning at early stages of neonatal heart development causes CM death after 8 weeks; hence, Tip60 protein has a crucial function in the heart.

  15. Topotactic changes on η-Mo{sub 4}O{sub 11} caused by biased atomic force microscope tip and cw-laser

    Energy Technology Data Exchange (ETDEWEB)

    Borovšak, Miloš, E-mail: milos.borovsak@ijs.si [Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); Faculty for Mathematics and Physics, Jadranska ulica 19, 1000 Ljubljana (Slovenia); Šutar, Petra; Goreshnik, Evgeny [Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); Mihailovic, Dragan [Jožef Stefan Institute, Jamova cesta 39, 1000 Ljubljana (Slovenia); International Postgraduate School Jožef Stefan, Jamova cesta 39, 1000 Ljubljana (Slovenia)

    2015-11-01

    Highlights: • We report influencing electronic properties of η-Mo{sub 4}O{sub 11}. • With the biased AFM tip we induce the surface potential changes on η-Mo{sub 4}O{sub 11}. • We used cw-laser to induced similar effect on surface potential on η-Mo{sub 4}O{sub 11}. • We do not influence the surface and topography of the samples. • No change in topography of samples indicates the topotactic transformation. - Abstract: We present topotactic changes on Mo{sub 4}O{sub 11} crystals induced by a biased atomic force microscope tip and continuous laser. The transformation does not change the topography of the samples, while the surface potential shows remarkable changes on areas where the biased AFM tip was applied. No structural changes were observed by Raman spectroscopy, but AFM scans revealed changes to surface potential due to laser illumination. The observed phenomenon could be potentially useful for memristive memory devices considering the fact that properties of other molybdenum oxides vary from metallic to insulators.

  16. Probing the probe: AFM tip-profiling via nanotemplates to determine Hamaker constants from phase–distance curves

    International Nuclear Information System (INIS)

    Rodriguez, Raul D.; Lacaze, Emmanuelle; Jupille, Jacques

    2012-01-01

    A method to determine the van der Waals forces from phase–distance curves recorded by atomic force microscopy (AFM) in tapping mode is presented. The relationship between the phase shift and the tip–sample distance is expressed as a function of the product of the Hamaker constant by tip radius. Silica-covered silicon tips are used to probe silica-covered silicon substrate in dry conditions to avoid capillary effects. Tips being assumed spherical, radii are determined in situ by averaging profiles recorded in different directions on hematite nanocrystals acting as nanotemplates, thus accounting for tip anisotropy. Through a series of reproducible measurements performed with tips of various radii (including the in-situ characterization of a damaged tip), a value of (6.3±0.4)×10 −20 J is found for the Hamaker constant of interacting silica surfaces in air, in good agreement with tabulated data. The results demonstrate that the onset of the tip–surface interaction is dominated by the van der Waals forces and that the total force can be modeled in the framework of the harmonic approximation. Based on the tip radius and the Hamaker constant associated to the tip–substrate system, the model is quite flexible. Once the Hamaker constant is known, a direct estimate of the tip size can be achieved whereas when the tip size is known, a quantitative evaluation of the van der Waals force becomes possible on different substrates with a spatial resolution at the nanoscale. -- Highlights: ► Van der Waal forces in tapping mode atomic force microscopy. ► Harmonic approximation model of phase–distance curves probed by simulations. ► Silica tips and surfaces as a model case. ► Tip geometry determined in situ by nanoparticles as nanotemplates. ► Method to derive the Hamaker constant for any tip/surface system.

  17. Predicting critical transitions in dynamical systems from time series using nonstationary probability density modeling.

    Science.gov (United States)

    Kwasniok, Frank

    2013-11-01

    A time series analysis method for predicting the probability density of a dynamical system is proposed. A nonstationary parametric model of the probability density is estimated from data within a maximum likelihood framework and then extrapolated to forecast the future probability density and explore the system for critical transitions or tipping points. A full systematic account of parameter uncertainty is taken. The technique is generic, independent of the underlying dynamics of the system. The method is verified on simulated data and then applied to prediction of Arctic sea-ice extent.

  18. Oxidation reactivity of 1,2-bis(2,4,6-tribromophenoxy)ethane (BTBPE) by Compound I model of cytochrome P450s

    Institute of Scientific and Technical Information of China (English)

    Zhongyu Wang; Zhiqiang Fu; Qi Yu; Jingwen Chen

    2017-01-01

    Alternative brominated flame retardants (BFRs) have become prevalent as a consequence of restrictions on the use of polybrominated diphenyl ethers (PBDEs).For risk assessment of these alternatives,knowledge of their metabolism via cytochrome P450 enzymes is needed.We have previously proved that density functional theory (DFT) is able to predict the metabolism of PBDEs by revealing the molecular mechanisms.In the current study,the reactivity of 1,2-bis(2,4,6-tribromophenoxy)ethane and structurally similar chemicals with the Compound I model representing the active site of P450 enzymes was investigated.The DFT calculations delineated reaction pathways which lead to reasonable explanations for products that were detected by wet experiments,meanwhile intermediates which cannot be determined were also proposed.Results showed that alkyl hydrogen abstraction will lead to bis(2,4,6-tribromophenoxy)ethanol,which may undergo hydrolysis yielding 2,4,6-tribromophenol,a neurotoxic compound.In addition,a general pattern of oxidation reactivity regarding the 2,4,6-tribromophenyl moiety was observed among several model compounds.Our study has provided insights for convenient evaluation of the metabolism of other structurally similar BFRs.

  19. Effects of the Tongue-in-Groove Maneuver on Nasal Tip Rotation.

    Science.gov (United States)

    Antunes, Marcelo B; Quatela, Vito C

    2018-03-27

    Changes in nasal tip rotation is a very common maneuver performed during rhinoplasty. Among the many techniques used to achieve this goal is the tongue-in-groove (TIG). This study addresses the long-term effect of the TIG on the nasal tip rotation 1 year after rhinoplasty. The authors prospectively identified patients who were submitted to a rhinoplasty with a TIG maneuver over a period of 1 year. The angle of rotation was measured along the nostril axis angle. The data was analyzed using the t-test and a linear regression model. Seventeen patients were included. The average preoperative tip rotation was 93.95° (SD, 3.12°). Immediate postoperative tip rotation averaged 114.47° (SD, 3.79°). At the 1-year follow-up appointment, the tip rotation averaged 106.55° (SD, 3.54°). There was a significant loss of rotation at the 1-year postoperative visit (pTIG is a more dependable technique than the ones that rely on healing and contraction to obtain rotation. Our data demonstrated a significant loss of rotation during the first year. This suggests that the surgeon needs to slightly overcorrect the tip rotation to account for this loss.

  20. Analysis of disturbances in a hypersonic boundary layer on a cone with heating/cooling of the nose tip

    Science.gov (United States)

    Bountin, Dmitry; Maslov, Anatoly; Gromyko, Yury

    2018-05-01

    Experimental results of the influence of local heating/cooling on the development of hypersonic boundary layer disturbances are reported. Local heating/cooling is applied at the cone nose tip. The experiments are carried out at the Mach number M = 5.95, stagnation temperature T0 = 360-418 K, and stagnation pressure P0 = 3.7-45 atm. The unit Reynolds number is varied in the interval Re1 = (4.5-63) × 106 m-1. The investigations are conducted in the boundary layer on a cone with an apex half-angle of 7° and varied bluntness radius of the nose tip [R = 0.03 (sharp nose), 0.75, and 1.5 mm] for different values of the local temperature factor. The nose tip is heated by an ohmic heater. Cooling is performed by supplying liquid nitrogen into the internal cavity of the model nose. A comparative analysis of pressure pulsation spectra on the cone surface is performed. It is demonstrated that heating/cooling in the case of a sharp cone leads to flow destabilization/stabilization. The opposite effect is observed for blunted cones: heating/cooling stabilizes/destabilizes the second-mode disturbances. This effect is enhanced by increasing the nose tip bluntness. All the observed effects vanish with distance downstream from the nose tip.

  1. Study of the quasi-two body processes including {sigma}(1385) production in {pi}{sup -}p and K{sup -} reactions at 4 GeV/c; Estudio de procesos cuasi-dos cuerpos con produccion de {sigma} (1385) en interacciones {pi}{sup -}p y K{sup p} A 4 GeV/c

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar-Benitez, M; Salicio, J

    1981-07-01

    An analysis of (1385) production in reactions of the type 0{sup +} 1/z 4 +{yields}>-1{sup +} 3+/2 and 0{sup -} + 1/2+{yields} 0{sup -} + 3*/2 is presented. A determination of the {sigma}(1385) production parameters Is performed and the results are compared with the predictions from several models. A transversity amplitudes reconstruction describing the processes {pi} {sup p} ->K(890) {sigma}(1385) and K{sup -}p {yields} 3{yields}{phi}(1385), {zeta}{sup -}{sigma}(1385) is obtained in a model independent way. We observe dominance of unnatural partly exchange in the production mechanisms. Exchanges of exotic quantum numbers are established by the study of {pi}p {yields} K{sup 0}+ {sigma}(1385)s and K{sup -} p{yields}>{pi}+{sigma}(1385){+-} processes. Additive quark model predictions are reasonable agreement with the experimental data. (Author)

  2. An Experimental Characterization of Tip Leakage Flows and Corresponding Effects on Multistage Compressor Performance

    Science.gov (United States)

    Berdanier, Reid Adam

    measurements collected at these part-speed and off-design conditions provides a unique data set for calibrating computational models and predictive algorithms. Further investigations with detailed steady total pressure traverses provide additional insight to tip leakage flow effects on stator performance. A series of data on the 100% corrected speedline further characterize the tip leakage flow using time-resolved measurements from a combination of instrumentation techniques. An array of high-frequency-response piezoresistive pressure transducers installed over the rotors allows quantification of tip leakage flow trajectories. These data, along with measurements from a fast-response total pressure probe downstream of the rotors, evaluate the development of tip leakage flows and assess the corresponding effects of upstream stator wakes. Finally, thermal anemometry measurements collected using the single slanted hot-wire technique evaluate three-dimensional velocity components throughout the compressor. These data facilitate calculations of several flow metrics, including a blockage parameter and phase-locked streamwise vorticity.

  3. Effect on Torque and Thrust of the Pointed Tip Shape of a Wind Turbine Blade

    Directory of Open Access Journals (Sweden)

    Kyoungsoo Lee

    2017-01-01

    Full Text Available This paper presents the effect of the tip shape of a wind turbine blade on aerodynamic forces, including the effects of separation, transition and stall. A National Renewable Energy Laboratory (NREL Phase-VI wind turbine blade was used, in which the shape of the tip was modified to a pointed tip. Computational fluid dynamics (CFD simulations were employed for the analysis and the results were compared with the original NREL blade CFD and experimental data using ANSYS CFX (Ansys Inc., Delaware, PA, USA. To predict the separation and separation-induced transition on both near wall and far away, the shear-stress-transport (SST Gamma-Theta turbulent model was used. The stall onset of a 20° angle of attack and its effects were also analyzed and presented. The value of torque with the pointed tip blade was found to be 3%–8% higher than the original NREL blade showing the benefit of the pointed tip. Normal force coefficient is lower at the tip for the pointed tip blade, which results in lower deformation of the blade. It was found that the pointed-tip blade is more efficient in terms of generating torque than the original NREL Phase-VI blade in the dynamic stall region of 10–15 m/s wind speeds.

  4. Tipping news in information accumulation system

    Science.gov (United States)

    Shin, J. K.

    2010-05-01

    As a continuous opinion dynamics model, the information accumulation system (IAS) includes three basic mechanisms of the news, the inheritance and the diffusion as contributing to the information accumulation process of a system. A system is composed of agents who diffuse information through internal interaction, while each of them has incomplete memory or inheritance rate. The news comes from external sources of information, such as mass media. Previously the model IAS was studied only for the small news problems. In this study, a tipping news problem is considered. A key question of the problem is: what is the minimum strength of advertisement that can tip the minority opinion to a majority one? Dynamics of the IAS is briefly revisited with a special interest on nonlinear behavior of the model. In particular, it is shown that a discrete map of the IAS for a single color problem can be transformed into a logistic map, from which the dynamics of the IAS can be better understood. To show the applicability of the IAS model, the result is applied to explain the concept of the critical population size, which claims that there is a minimum population size for a social knowledge system to be continuously inherited without being lost. And critical size of the tipping news is found analytically in terms of IAS parameters. Some of the key results from the present study are compared in detail with the results from the Brownian particle model, which is believed to be the most similar model to the IAS. The concept of tipping news is used to show that a traditional society can tip at an exceptionally low inter-community exposure. Finally, the result was applied to the language competition problem.

  5. Deciphering the regulation of P2X4 receptor channel gating by ivermectin using Markov models.

    Directory of Open Access Journals (Sweden)

    Laurent Mackay

    2017-07-01

    Full Text Available The P2X4 receptor (P2X4R is a member of a family of purinergic channels activated by extracellular ATP through three orthosteric binding sites and allosterically regulated by ivermectin (IVM, a broad-spectrum antiparasitic agent. Treatment with IVM increases the efficacy of ATP to activate P2X4R, slows both receptor desensitization during sustained ATP application and receptor deactivation after ATP washout, and makes the receptor pore permeable to NMDG+, a large organic cation. Previously, we developed a Markov model based on the presence of one IVM binding site, which described some effects of IVM on rat P2X4R. Here we present two novel models, both with three IVM binding sites. The simpler one-layer model can reproduce many of the observed time series of evoked currents, but does not capture well the short time scales of activation, desensitization, and deactivation. A more complex two-layer model can reproduce the transient changes in desensitization observed upon IVM application, the significant increase in ATP-induced current amplitudes at low IVM concentrations, and the modest increase in the unitary conductance. In addition, the two-layer model suggests that this receptor can exist in a deeply inactivated state, not responsive to ATP, and that its desensitization rate can be altered by each of the three IVM binding sites. In summary, this study provides a detailed analysis of P2X4R kinetics and elucidates the orthosteric and allosteric mechanisms regulating its channel gating.

  6. Plasmonic Colloidal Nanoantennas for Tip-Enhanced Raman Spectrocopy

    Science.gov (United States)

    Dill, Tyler J.

    Plasmonic nanoantennas that a support localized surface plasmon resonance (LSPR) are capable of confining visible light to subwavelength dimensions due to strong electromagnetic field enhancement at the probe tip. Nanoantenna enable optical methods such as tip-enhanced Raman spectroscopy (TERS), a technique that uses scanning probe microscopy tips to provide chemical information with nanoscale spatial resolution and single-molecule sensitivities. The LSPR supported by the probe tip is extremely sensitive to the nanoscale morphology of the nanoantenna. Control of nanoscale morphology is notoriously difficult to achieve, resulting in TERS probes with poor reproducibility. In my thesis, I demonstrate high-performance, predictable, and broadband nanospectroscopy probes that are fabricated by self-assembly. Shaped metal nanoparticles are organized into dense layers and deposited onto scanning probe tips. When coupled to a metal substrate, these probes support a strong optical resonance in the gap between the substrate and the probe, producing dramatic field enhancements. I show through experiment and electromagnetic modeling that close-packed but electrically isolated nanoparticles are electromagnetically coupled. Hybridized LSPRs supported by self-assembled nanoparticles with a broadband optical response, giving colloidal nanoantenna a high tolerance for geometric variation resulting from fabrication. I find that coupled nanoparticles act as a waveguide, transferring energy from many neighboring nanoparticles towards the active TERS apex. I also use surface-enhanced Raman spectroscopy (SERS) to characterize the effects of nanoparticle polydispersity and gap height on the Raman enhancement. These colloidal probes have consistently achieved dramatic Raman enhancements in the range of 108-109 with sub-50 nm spatial resolution. Furthermore, in contrast to other nanospectroscopy probes, these colloidal probes can be fabricated in a scalable fashion with a batch

  7. Combining Microbial Enzyme Kinetics Models with Light Use Efficiency Models to Predict CO2 and CH4 Ecosystem Exchange from Flooded and Drained Peatland Systems

    Science.gov (United States)

    Oikawa, P. Y.; Jenerette, D.; Knox, S. H.; Sturtevant, C. S.; Verfaillie, J. G.; Baldocchi, D. D.

    2014-12-01

    Under California's Cap-and-Trade program, companies are looking to invest in land-use practices that will reduce greenhouse gas (GHG) emissions. The Sacramento-San Joaquin River Delta is a drained cultivated peatland system and a large source of CO2. To slow soil subsidence and reduce CO2 emissions, there is growing interest in converting drained peatlands to wetlands. However, wetlands are large sources of CH4 that could offset CO2-based GHG reductions. The goal of our research is to provide accurate measurements and model predictions of the changes in GHG budgets that occur when drained peatlands are restored to wetland conditions. We have installed a network of eddy covariance towers across multiple land use types in the Delta and have been measuring CO2 and CH4 ecosystem exchange for multiple years. In order to upscale these measurements through space and time we are using these data to parameterize and validate a process-based biogeochemical model. To predict gross primary productivity (GPP), we are using a simple light use efficiency (LUE) model which requires estimates of light, leaf area index and air temperature and can explain 90% of the observed variation in GPP in a mature wetland. To predict ecosystem respiration we have adapted the Dual Arrhenius Michaelis-Menten (DAMM) model. The LUE-DAMM model allows accurate simulation of half-hourly net ecosystem exchange (NEE) in a mature wetland (r2=0.85). We are working to expand the model to pasture, rice and alfalfa systems in the Delta. To predict methanogenesis, we again apply a modified DAMM model, using simple enzyme kinetics. However CH4 exchange is complex and we have thus expanded the model to predict not only microbial CH4 production, but also CH4 oxidation, CH4 storage and the physical processes regulating the release of CH4 to the atmosphere. The CH4-DAMM model allows accurate simulation of daily CH4 ecosystem exchange in a mature wetland (r2=0.55) and robust estimates of annual CH4 budgets. The LUE

  8. Complex Regulation of Prolyl-4-Hydroxylases Impacts Root Hair Expansion

    DEFF Research Database (Denmark)

    Velasquez, Silvia M; Ricardi, Martiniano M; Poulsen, Christian Peter

    2015-01-01

    Root hairs are single cells that develop by tip growth, a process shared with pollen tubes, axons, and fungal hyphae. However, structural plant cell walls impose constraints to accomplish tip growth. In addition to polysaccharides, plant cell walls are composed of hydroxyproline-rich glycoproteins......5, and to a lesser extent P4H2 and P4H13, are pivotal for root hair tip growth. Second, we demonstrate that P4H5 has in vitro preferred specificity for EXT substrates rather than for other HRGPs. Third, by P4H promoter and protein swapping approaches, we show that P4H2 and P4H13 have interchangeable...... peptidyl-proline hydroxylation on EXTs, and possibly in other HRGPs, is required for proper cell wall self-assembly and hence root hair elongation in Arabidopsis thaliana....

  9. Webbaserad pedagogisk meritportfölj - från idé till verklighet

    Directory of Open Access Journals (Sweden)

    Jakob Johansson

    2011-03-01

    åväl sökanden som bedömare. Det finns behov av redovisning av pedagogiska meriter även för andra ändamål än vid tjänstetillsättningar. Många medarbetare (som inte avser att söka akademisk tjänst gör betydande insatser i undervisningen exempelvis i form av administration, föreläsningar, seminarieledning samt klinisk handledning, och dessa prestationer bör användas som underlag för exempelvis planeringssamtal, löneförhandlingar och kompetensutveckling. Många finner det svårt att redovisa dessa undervisningsinsatser. Orsaken till detta är sannolikt delvis bristen på tradition att bokföra pedagogiskt arbetet (i kontrast till vetenskapligt arbete, men också bristen på ett användarvänligt verktyg för bokföring. Detta var startskottet för ett projekt som syftade till att framställa en personlig webbaserad pedagogisk meritportfölj som skulle kunna överbrygga det praktiska bekymret och ge medarbetarna ett smidigt verktyg för dokumentation av och reflektion runt pedagogiska meriter. Detta samtidigt som det skulle vara acceptabelt som instrument för sökande av akademisk tjänst genom att bygga på Uppsala universitets pedagogiska program och riktlinjer för meritvärdering. Denna artikel beskriver processen från idé till färdig webbaserad pedagogisk meritportfölj för vetenskapsområdet för medicin och farmaci vid Uppsala universitet. Även om det sannolikt existerar liknande webb-verktyg för bokföring av pedagogiska meriter så är detta oss veterligen det första verktyg i sitt slag som framställts och beskrivits. Syftet med artikeln är att sprida kunskap om både konceptet och arbetsprocessen för att underlätta spridning till andra fakulteter och lärosäten.

  10. Investigation of axial power gradients near a control rod tip

    Energy Technology Data Exchange (ETDEWEB)

    Loberg, John, E-mail: John.Loberg@fysast.uu.se [Uppsala University, Department of Physics and Astronomy, Division of Applied Nuclear Physics, Box 525, SE-75120 Uppsala (Sweden); Osterlund, Michael, E-mail: Michael.Osterlund@fysast.uu.se [Uppsala University, Department of Physics and Astronomy, Division of Applied Nuclear Physics, Box 525, SE-75120 Uppsala (Sweden); Bejmer, Klaes-Hakan, E-mail: Klaes-Hakan.Bejmer@vattenfall.com [Vattenfall Nuclear Fuel AB, Jaemtlandsgatan 99, 162 60 Vaellingby, Stockholm (Sweden); Blomgren, Jan, E-mail: Jan.Blomgren@vattenfall.com [Vattenfall Nuclear Fuel AB, Jaemtlandsgatan 99, 162 60 Vaellingby, Stockholm (Sweden); Kierkegaard, Jesper, E-mail: Jesper.Kierkegaar@vattenfall.com [Vattenfall Nuclear Fuel AB, Jaemtlandsgatan 99, 162 60 Vaellingby, Stockholm (Sweden)

    2011-07-15

    Highlights: > Pin power gradients near BWR control rod tips have been investigated. > A control rod tip is modeled in MCNP and compared to simplified 2D/3D geometry. > Small nodes increases pin power gradients; standard nodes underestimates gradients. > The MCNP results are validated against axial gamma scan of a controlled fuel pin. - Abstract: Control rod withdrawal in BWRs induces large power steps in the adjacent fuel assemblies. This paper investigates how well a 2D/3D method, e.g., CASMO5/SIMULATE5 computes axial pin power gradients adjacent to an asymmetrical control-rod tip in a BWR. The ability to predict pin power gradients accurately is important for safety considerations whereas large powers steps induced by control rod withdrawal can cause Pellet Cladding Interaction. The computation of axial pin power gradients axially around a control rod tip is a challenging task for any nodal code. On top of that, asymmetrical control rod handles are present in some BWR designs. The lattice code CASMO requires diagonal symmetry of all control rod parts. This introduces an error in computed pin power gradients that has been evaluated by Monte Carlo calculations. The results show that CASMO5/SIMULATE5, despite the asymmetrical control rod handle, is able to predict the axial pin power gradient within 1%/cm for axial nodal sizes of 15-3.68 cm. However, a nodal size of 3.68 cm still causes underestimations of pin power gradients compared with 1 cm nodes. Furthermore, if conventional node sizes are used, {approx}15 cm, pin power gradients can be underestimated by over 50% compared with 1 cm nodes. The detailed axial pin power profiles from MCNP are corroborated by measured gamma scan data on fuel rods irradiated adjacent to control rods.

  11. Investigation of axial power gradients near a control rod tip

    International Nuclear Information System (INIS)

    Loberg, John; Osterlund, Michael; Bejmer, Klaes-Hakan; Blomgren, Jan; Kierkegaard, Jesper

    2011-01-01

    Highlights: → Pin power gradients near BWR control rod tips have been investigated. → A control rod tip is modeled in MCNP and compared to simplified 2D/3D geometry. → Small nodes increases pin power gradients; standard nodes underestimates gradients. → The MCNP results are validated against axial gamma scan of a controlled fuel pin. - Abstract: Control rod withdrawal in BWRs induces large power steps in the adjacent fuel assemblies. This paper investigates how well a 2D/3D method, e.g., CASMO5/SIMULATE5 computes axial pin power gradients adjacent to an asymmetrical control-rod tip in a BWR. The ability to predict pin power gradients accurately is important for safety considerations whereas large powers steps induced by control rod withdrawal can cause Pellet Cladding Interaction. The computation of axial pin power gradients axially around a control rod tip is a challenging task for any nodal code. On top of that, asymmetrical control rod handles are present in some BWR designs. The lattice code CASMO requires diagonal symmetry of all control rod parts. This introduces an error in computed pin power gradients that has been evaluated by Monte Carlo calculations. The results show that CASMO5/SIMULATE5, despite the asymmetrical control rod handle, is able to predict the axial pin power gradient within 1%/cm for axial nodal sizes of 15-3.68 cm. However, a nodal size of 3.68 cm still causes underestimations of pin power gradients compared with 1 cm nodes. Furthermore, if conventional node sizes are used, ∼15 cm, pin power gradients can be underestimated by over 50% compared with 1 cm nodes. The detailed axial pin power profiles from MCNP are corroborated by measured gamma scan data on fuel rods irradiated adjacent to control rods.

  12. Reduction of TIP30 in esophageal squamous cell carcinoma cells involves promoter methylation and microRNA-10b

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Wenjie, E-mail: dongwenjie200581@126.com [Department of Internal Medicine-Oncology, The First Affiliated Hospital, Zhengzhou University (China); Shen, Ruizhe; Cheng, Shidan [Department of Gastroenterology, Rui-jin Hospital, Shanghai Jiao Tong University, Shanghai (China)

    2014-10-31

    Highlights: • TIP30 expression is frequently suppressed in ESCC. • TIP30 was hypermethylated in ESCC. • Reduction of TIP30 was significantly correlated with LN metastasis. • miR-10b is a direct regulator of TIP30. - Abstract: TIP30 is a putative tumor suppressor that can promote apoptosis and inhibit angiogenesis. However, the role of TIP30 in esophageal squamous cell carcinoma (ESCC) biology has not been investigated. Immunohistochemistry was used to investigate the expression of TIP30 in 70 ESCC. Hypermethylation of TIP30 was evaluated by the methylation specific PCR (MSP) method in ESCC (tumor and paired adjacent non-tumor tissues). Lost expression of TIP30 was observed in 50 of 70 (71.4%) ESCC. 61.4% (43 of 70) of primary tumors analyzed displayed TIP30 hypermethylation, indicating that this aberrant characteristic is common in ESCC. Moreover, a statistically significant inverse association was found between TIP30 methylation status and expression of the TIP30 protein in tumor tissues (p = 0.001). We also found that microRNA-10b (miR-10b) targets a homologous DNA region in the 3′untranslated region of the TIP30 gene and represses its expression at the transcriptional level. Reporter assay with 3′UTR of TIP30 cloned downstream of the luciferase gene showed reduced luciferase activity in the presence of miR-10b, providing strong evidence that miR-10b is a direct regulator of TIP30. These results suggest that TIP30 expression is regulated by promoter methylation and miR-10b in ESCC.

  13. Creative accomplishment of continuous TIP motor torque monitoring system in BWR plant

    International Nuclear Information System (INIS)

    Sun, C.H.; Li, I.N.; Liu, C.S.

    1986-01-01

    The Traveling In-core Probe (TIP) system is designed so delicate that the routine preventive maintenance - torque measurement is required to keep system operating properly. Normally, the torque measurement is performed by manually rotating torque wrench on the local TIP drive mechanism or using wattmeter during automatic operation. Whenever, either torque wrench or wattmeter measurement is performed, the high radiation exposure to maintenance personnel and mass manpower is expected. Because of this reason Taipower has developed a continuous TIP motor torque monitoring system to save manpower and minimize radiation exposure to maintenance personnel. This methods of TIP motor torque measurement will also predict TIP guide tube deterioration. (author)

  14. Removal of artificial dental calculus by use of conventional and diamond ultrasound tips.

    Directory of Open Access Journals (Sweden)

    Roberto Carlos Mourão Pinho

    2017-04-01

    Full Text Available Introduction: Periodontal disease is considered a public health problem and may lead to serious complications as the general health of patient. The main therapeutic procedure is scaling and root planing, which can be performed by a variety of techniques and instruments Objective:The aim of the present study was to evaluate the removal of calculus, produced artificially, by using a conventional ultrasonic tip and a diamond – CVD tip. Method: The calculus was produced with artificial sawdust and glue-based cyanoacrylate and distributed in twenty areas also standardized on two plates of acrylic resin (chemical activated, holding 10 samples per plate. Standards / samples were divided by lot into two simple groups, being A (treated with conventional tip and B (treated with CVD tip. Results:The treatment in Group A, promoted an average area of 20.48 ± 4.20 mm2 free of artificial calculus which is significantly higher (p <0.05 than the area removed in Group B (15.37 ± 5.29 mm2. Conclusion:The results showed that the conventional tip presented higher results than CVD tip for efficacy in the removal of calculus.

  15. Effects of transjugular intrahepatic portosystemic shunt (TIPS) on blood volume distribution in patients with cirrhosis

    DEFF Research Database (Denmark)

    Busk, Troels M; Bendtsen, Flemming; Henriksen, Jens H

    2017-01-01

    increased (+22%, prestores central hypovolaemia......BACKGROUND: Cirrhosis is accompanied by portal hypertension with splanchnic and systemic arterial vasodilation, and central hypovolaemia. A transjugular intrahepatic portosystemic shunt (TIPS) alleviates portal hypertension, but also causes major haemodynamic changes. AIMS: To investigate effects...... catheterization. Central and arterial blood volume (CBV) and cardiac output (CO) were determined with indicator dilution technique. RESULTS: After TIPS, the thoracic blood volume increased (+10.4% of total blood volume (TBV), p

  16. The reactions K-p → π-+Σ+-(1385) at 4.2 GeV/c

    International Nuclear Information System (INIS)

    Holmgren, S.O.; Aguilar-Benitez, M.; Barreiro, F.; Hemingway, R.J.; Losty, M.J.; Worden, R.P.; Zatz, J.; Kluyver, J.C.; Massaro, G.G.G.; Kittel, E.W.; Walle, R.T. van de

    1977-01-01

    The reactions K - p → π - Σ + (1385) and K - p → π + Σ - (1385) are studied at 4.2 GeV/c incident momentum using data from a high statistics bubble chamber experiment corresponding to approximately 80 events/μb. The total and differential cross sections are presented. Amplitude analyses are performed and the complete Σ +- (1385) helicity spin density matrices are extracted. The results are compared with the predictions of the additive quark model and exchange degeneracy. A substantial cross section is observed for the reaction K - p → π + Σ - (1385) in the forward direction, which implies exotic meson quantum numbers in the t-channel. One possible interpretation of this process provides an explanation for the small but significant violations of the additive quark model predictions observed in the reaction K - p → π - Σ + (1385) at low four-momentum transfer. In the backward direction unnatural parity exchange is shown to give a larger contribution to K - p → Σ - (1385)π + than natural parity exchange. (Auth.)

  17. Topotactic changes on η-Mo4O11 caused by biased atomic force microscope tip and cw-laser

    Science.gov (United States)

    Borovšak, Miloš; Šutar, Petra; Goreshnik, Evgeny; Mihailovic, Dragan

    2015-11-01

    We present topotactic changes on Mo4O11 crystals induced by a biased atomic force microscope tip and continuous laser. The transformation does not change the topography of the samples, while the surface potential shows remarkable changes on areas where the biased AFM tip was applied. No structural changes were observed by Raman spectroscopy, but AFM scans revealed changes to surface potential due to laser illumination. The observed phenomenon could be potentially useful for memristive memory devices considering the fact that properties of other molybdenum oxides vary from metallic to insulators.

  18. Wind-tunnel modelling of the tip-speed ratio influence on the wake evolution

    Science.gov (United States)

    Stein, Victor P.; Kaltenbach, Hans-Jakob

    2016-09-01

    Wind-tunnel measurements on the near-wake evolution of a three bladed horizontal axis wind turbine model (HAWT) in the scale 1:O(350) operating in uniform flow conditions and within a turbulent boundary layer at different tip speed ratios are presented. Operational conditions are chosen to exclude Reynolds number effects regarding the turbulent boundary layer as well as the rotor performance. Triple-wire anemometry is used to measure all three velocity components in the mid-vertical and mid-horizontal plane, covering the range from the near- to the far-wake region. In order to analyse wake properties systematically, power and thrust coefficients of the turbine were measured additionally. It is confirmed that realistic modelling of the wake evolution is not possible in a low-turbulence uniform approach flow. Profiles of mean velocity and turbulence intensity exhibit large deviations between the low-turbulence uniform flow and the turbulent boundary layer, especially in the far-wake region. For nearly constant thrust coefficients differences in the evolution of the near-wake can be identified for tip speed ratios in the range from 6.5 to 10.5. It is shown that with increasing downstream distances mean velocity profiles become indistinguishable whereas for turbulence statistics a subtle dependency on the tip speed ratio is still noticeable in the far-wake region.

  19. Phenomenological optical model for p-/sup 4/He elastic scattering. [560 to 1730 MeV: Dirac equation optical model analysis

    Energy Technology Data Exchange (ETDEWEB)

    Mercer, R L [International Business Machines Corp., Yorktown Heights, N.Y. (USA); Arnold, L G; Clark, B C [Ohio State Univ., Columbus (USA). Dept. of Physics

    1978-01-30

    The results of a Dirac equation optical model analysis of p-/sup 4/He elastic scattering data are reported. The optical potential obtained at 1029 MeV reproduces the systematics of p-/sup 4/He data over the energy range from 560 to 1730 MeV.

  20. Biogeochemical modeling of CO2 and CH4 production in anoxic Arctic soil microcosms

    Science.gov (United States)

    Tang, Guoping; Zheng, Jianqiu; Xu, Xiaofeng; Yang, Ziming; Graham, David E.; Gu, Baohua; Painter, Scott L.; Thornton, Peter E.

    2016-09-01

    Soil organic carbon turnover to CO2 and CH4 is sensitive to soil redox potential and pH conditions. However, land surface models do not consider redox and pH in the aqueous phase explicitly, thereby limiting their use for making predictions in anoxic environments. Using recent data from incubations of Arctic soils, we extend the Community Land Model with coupled carbon and nitrogen (CLM-CN) decomposition cascade to include simple organic substrate turnover, fermentation, Fe(III) reduction, and methanogenesis reactions, and assess the efficacy of various temperature and pH response functions. Incorporating the Windermere Humic Aqueous Model (WHAM) enables us to approximately describe the observed pH evolution without additional parameterization. Although Fe(III) reduction is normally assumed to compete with methanogenesis, the model predicts that Fe(III) reduction raises the pH from acidic to neutral, thereby reducing environmental stress to methanogens and accelerating methane production when substrates are not limiting. The equilibrium speciation predicts a substantial increase in CO2 solubility as pH increases, and taking into account CO2 adsorption to surface sites of metal oxides further decreases the predicted headspace gas-phase fraction at low pH. Without adequate representation of these speciation reactions, as well as the impacts of pH, temperature, and pressure, the CO2 production from closed microcosms can be substantially underestimated based on headspace CO2 measurements only. Our results demonstrate the efficacy of geochemical models for simulating soil biogeochemistry and provide predictive understanding and mechanistic representations that can be incorporated into land surface models to improve climate predictions.

  1. Cutting efficiency of apical preparation using ultrasonic tips with microprojections: confocal laser scanning microscopy study.

    Science.gov (United States)

    Kwak, Sang-Won; Moon, Young-Mi; Yoo, Yeon-Jee; Baek, Seung-Ho; Lee, WooCheol; Kim, Hyeon-Cheol

    2014-11-01

    The purpose of this study was to compare the cutting efficiency of a newly developed microprojection tip and a diamond-coated tip under two different engine powers. The apical 3-mm of each root was resected, and root-end preparation was performed with upward and downward pressure using one of the ultrasonic tips, KIS-1D (Obtura Spartan) or JT-5B (B&L Biotech Ltd.). The ultrasonic engine was set to power-1 or -4. Forty teeth were randomly divided into four groups: K1 (KIS-1D / Power-1), J1 (JT-5B / Power-1), K4 (KIS-1D / Power-4), and J4 (JT-5B / Power-4). The total time required for root-end preparation was recorded. All teeth were resected and the apical parts were evaluated for the number and length of cracks using a confocal scanning micrscope. The size of the root-end cavity and the width of the remaining dentin were recorded. The data were statistically analyzed using two-way analysis of variance and a Mann-Whitney test. There was no significant difference in the time required between the instrument groups, but the power-4 groups showed reduced preparation time for both instrument groups (p < 0.05). The K4 and J4 groups with a power-4 showed a significantly higher crack formation and a longer crack irrespective of the instruments. There was no significant difference in the remaining dentin thickness or any of the parameters after preparation. Ultrasonic tips with microprojections would be an option to substitute for the conventional ultrasonic tips with a diamond coating with the same clinical efficiency.

  2. Crustal thermal state and origin of silicic magma in Iceland: the case of Torfajökull, Ljósufjöll and Snæfellsjökull volcanoes

    Science.gov (United States)

    Martin, E.; Sigmarsson, O.

    2007-05-01

    Pleistocene and Holocene peralkaline rhyolites from Torfajökull (South Iceland Volcanic Zone) and Ljósufjöll central volcanoes and trachytes from Snæfellsjökull (Snæfellsnes Volcanic Zone) allow the assessment of the mechanism for silicic magma genesis as a function of geographical location and crustal geothermal gradient. The low δ18O (2.4‰) and low Sr concentration (12.2 ppm) measured in Torfajökull rhyolites are best explained by partial melting of hydrated metabasaltic crust followed by major fractionation of feldspar. In contrast, very high 87Sr/86Sr (0.70473) and low Ba (8.7 ppm) and Sr (1.2 ppm) concentrations measured in Ljósufjöll silicic lavas are best explained by fractional crystallisation and subsequent 87Rb decay. Snæfellsjökull trachytes are also generated by fractional crystallisation, with less than 10% crustal assimilation, as inferred from their δ18O. The fact that silicic magmas within, or close to, the rift zone are principally generated by crustal melting whereas those from off-rift zones are better explained by fractional crystallisation clearly illustrates the controlling influence of the thermal state of the crust on silicic magma genesis in Iceland.

  3. Direction of the J-Tip of the Guidewire to Decrease the Malposition Rate of an Internal Jugular Vein Catheter

    Directory of Open Access Journals (Sweden)

    Byeong jun Ahn

    2015-11-01

    Full Text Available Background We hypothesized that the direction of the J-tip of the guidewire during insertion into the internal jugular vein (IJV might determine its ultimate location. Methods In this study, 300 patients between the ages of 18 and 99 years who required central venous catheterization via IJV in the emergency department enrolled for randomization. IVJ catheterization was successful in 285 of 300 patients. An independent operator randomly prefixed the direction of the J-tip of the guidewire to one of three directions. Based on the direction of the J-tip, patients were allocated into three groups: the J-tip medial-directed group (Group A, the lateral-directed group (Group B, or the downward-directed group (Group C. Postoperative chest radiography was performed on all patients in order to visualize the location of the catheter tip. A catheter is considered malpositioned if it is not located in the superior vena cava or right atrium. Results Of the total malpositioned catheter tips (8 of 285; 2.8%, the majority (5 of 8; 62.5% entered the contralateral subclavian vein, 2 (25.0% were complicated by looping, and 1 (12.5% entered the ipsilateral subclavian vein. According to the direction of the J-tip of the guidewire, the incidence of malpositioning of the catheter tip was 4 of 92 in Group A (4.3%, 4 of 96 in Group B (4.2%, and there were no malpositions in Group C. There were no significant differences among the three groups (p = 0.114. Conclusions The direction of the J-tip of the guidewire had no statistically significant effect on incidence of malpositioned tips.

  4. Transcaval TIPS in patients with failed revision of occluded previous TIPS

    Energy Technology Data Exchange (ETDEWEB)

    Seong, Chang Kyu; Kim, Yong Joo; Shin, Tae Beom; Park, Hyo Yong; Kim, Tae Hun; Kang, Duk Sik [Kyungpook National University School of Medicine, Daegu (Korea, Republic of)

    2001-12-01

    To determine the feasibility of transcaval transjugular intrahepatic portosystemic shunt (TIPS) in patients with occluded previous TIPS. Between February 1996 and December 2000 we performed five transcaval TIPS procedures in four patients with recurrent gastric cardiac variceal bleeding. All four had occluded TIPS, which was between the hepatic and portal vein. The interval between initial TIPS placement and revisional procedures with transcaval TIPS varied between three and 31 months; one patient underwent transcaval TIPS twice, with a 31-month interval. After revision of the occluded shunt failed, direct cavoportal puncture at the retrohepatic segment of the IVC was attempted. Transcaval TIPS placement was technically successful in all cases. In three, tractography revealed slight leakage of contrast materials into hepatic subcapsular or subdiaphragmatic pericaval space. There was no evidence of propagation of extravasated contrast materials through the retroperitoneal space or spillage into the peritoneal space. After the tract was dilated by a bare stent, no patient experienced trans-stent bleeding and no serious procedure-related complications occurred. After successful shunt creation, variceal bleeding ceased in all patients. Transcaval TIPS placement is an effective and safe alternative treatment in patients with occluded previous TIPS and no hepatic veins suitable for new TIPS.

  5. Technical note: A linear model for predicting δ13 Cprotein.

    Science.gov (United States)

    Pestle, William J; Hubbe, Mark; Smith, Erin K; Stevenson, Joseph M

    2015-08-01

    Development of a model for the prediction of δ(13) Cprotein from δ(13) Ccollagen and Δ(13) Cap-co . Model-generated values could, in turn, serve as "consumer" inputs for multisource mixture modeling of paleodiet. Linear regression analysis of previously published controlled diet data facilitated the development of a mathematical model for predicting δ(13) Cprotein (and an experimentally generated error term) from isotopic data routinely generated during the analysis of osseous remains (δ(13) Cco and Δ(13) Cap-co ). Regression analysis resulted in a two-term linear model (δ(13) Cprotein (%) = (0.78 × δ(13) Cco ) - (0.58× Δ(13) Cap-co ) - 4.7), possessing a high R-value of 0.93 (r(2)  = 0.86, P analysis of human osseous remains. These predicted values are ideal for use in multisource mixture modeling of dietary protein source contribution. © 2015 Wiley Periodicals, Inc.

  6. Variable-temperature independently driven four-tip scanning tunneling microscope

    International Nuclear Information System (INIS)

    Hobara, Rei; Nagamura, Naoka; Hasegawa, Shuji; Matsuda, Iwao; Yamamoto, Yuko; Miyatake, Yutaka; Nagamura, Toshihiko

    2007-01-01

    The authors have developed an ultrahigh vacuum (UHV) variable-temperature four-tip scanning tunneling microscope (STM), operating from room temperature down to 7 K, combined with a scanning electron microscope (SEM). Four STM tips are mechanically and electrically independent and capable of positioning in arbitrary configurations in nanometer precision. An integrated controller system for both of the multitip STM and SEM with a single computer has also been developed, which enables the four tips to operate either for STM imaging independently and for four-point probe (4PP) conductivity measurements cooperatively. Atomic-resolution STM images of graphite were obtained simultaneously by the four tips. Conductivity measurements by 4PP method were also performed at various temperatures with the four tips in square arrangement with direct contact to the sample surface

  7. Comparison Analysis of Model Predictive Controller with Classical PID Controller For pH Control Process

    Directory of Open Access Journals (Sweden)

    V. Balaji

    2016-12-01

    Full Text Available pH control plays a important role in any chemical plant and process industries. For the past four decades the classical PID controller has been occupied by the industries. Due to the faster computing   technology in the industry demands a tighter advanced control strategy. To fulfill the needs and requirements Model Predictive Control (MPC is the best among all the advanced control algorithms available in the present scenario. The study and analysis has been done for First Order plus Delay Time (FOPDT model controlled by Proportional Integral Derivative (PID and MPC using the Matlab software. This paper explores the capability of the MPC strategy, analyze and compare the control effects with conventional control strategy in pH control. A comparison results between the PID and MPC is plotted using the software. The results clearly show that MPC provide better performance than the classical controller.

  8. Results of the radiological survey at 160 Essex Street, Lodi, New Jersey (LJ072)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.F.; Crutcher, J.W.

    1989-06-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 160 Essex Street, Lodi, New Jersey (LJ072), was conducted during 1987. Results of the survey demonstrated radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions are typical of the type of material originating from the MCW site. 4 refs., 10 figs., 2 tabs

  9. Results of the radiological survey at 99 Garibaldi Avenue, Lodi, New Jersey (LJ064)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Crutcher, J.W.

    1989-07-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 99 Garibaldi Avenue, Lodi, New Jersey (LJ064), was conducted during 1987. Results of the survey demonstrated radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions are typical of the type of material originating from the MCW site. 4 refs., 8 figs., 3 tabs

  10. Results of the radiological survey at 106 Columbia Lane, Lodi, New Jersey (LJ063)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Crutcher, J.W.

    1989-07-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 106 Columbia Lane, Lodi, New Jersey (LJ063), was conducted during 1987. Results of the survey demonstrated radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions are typical of the type of material originating from the MCW site. 4 refs., 7 figs., 3 tabs

  11. Tipping Point

    Medline Plus

    Full Text Available ... en español Blog About OnSafety CPSC Stands for Safety The Tipping Point Home > 60 Seconds of Safety (Videos) > The Tipping Point The Tipping Point by ... danger death electrical fall furniture head injury product safety television tipover tv Watch the video in Adobe ...

  12. Downstream Hepatic Arterial Blood Pressure Changes Caused by Deployment of the Surefire AntiReflux Expandable Tip

    International Nuclear Information System (INIS)

    Rose, Steven C.; Kikolski, Steven G.; Chomas, James E.

    2013-01-01

    Purpose: The purpose of this work was to evaluate blood pressure changes caused by deployment of the Surefire antireflux expandable tip. The pressure measurements are relevant because they imply changes in hepatoenteric arterial blood flow within this liver compartment during hepatic artery delivery of cytotoxic agents. Methods: After positioning the Surefire antireflux system in the targeted hepatic artery, blood pressure was obtained initially with the tip collapsed (or through a femoral artery sheath), then again after the tip was expanded before chemoembolization or yttrium 90 ( 90 Y) radioembolization. Results: Eighteen patients with liver malignancy underwent 29 procedures in 29 hepatic arteries (3 common hepatic, 22 lobar, 4 segmental). Systolic, diastolic, and mean blood pressure were all decreased by a mean of 29 mm Hg (p = 0.000004), 14 mm Hg (p = 0.0000004), and 22 mm Hg (p = 0.00000001), respectively. Conclusion: When the Surefire expandable tip is deployed to prevent retrograde reflux of agents, it also results in a significant decrease in blood pressure in the antegrade distribution, potentially resulting in hepatopedal blood flow in vessels that are difficult to embolize, such as the supraduodenal arteries

  13. Leading bureaucracies to the tipping point: An alternative model of multiple stable equilibrium levels of corruption.

    Science.gov (United States)

    Caulkins, Jonathan P; Feichtinger, Gustav; Grass, Dieter; Hartl, Richard F; Kort, Peter M; Novak, Andreas J; Seidl, Andrea

    2013-03-16

    We present a novel model of corruption dynamics in the form of a nonlinear optimal dynamic control problem. It has a tipping point, but one whose origins and character are distinct from that in the classic Schelling (1978) model. The decision maker choosing a level of corruption is the chief or some other kind of authority figure who presides over a bureaucracy whose state of corruption is influenced by the authority figure's actions, and whose state in turn influences the pay-off for the authority figure. The policy interpretation is somewhat more optimistic than in other tipping models, and there are some surprising implications, notably that reforming the bureaucracy may be of limited value if the bureaucracy takes its cues from a corrupt leader.

  14. Leading bureaucracies to the tipping point: An alternative model of multiple stable equilibrium levels of corruption

    Science.gov (United States)

    Caulkins, Jonathan P.; Feichtinger, Gustav; Grass, Dieter; Hartl, Richard F.; Kort, Peter M.; Novak, Andreas J.; Seidl, Andrea

    2013-01-01

    We present a novel model of corruption dynamics in the form of a nonlinear optimal dynamic control problem. It has a tipping point, but one whose origins and character are distinct from that in the classic Schelling (1978) model. The decision maker choosing a level of corruption is the chief or some other kind of authority figure who presides over a bureaucracy whose state of corruption is influenced by the authority figure’s actions, and whose state in turn influences the pay-off for the authority figure. The policy interpretation is somewhat more optimistic than in other tipping models, and there are some surprising implications, notably that reforming the bureaucracy may be of limited value if the bureaucracy takes its cues from a corrupt leader. PMID:23565027

  15. Superconductivity, carrier concentration, and the ionic model of Sn/sub 4/P/sub 3/ and Sn/sub 4/As/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Van Maaren, M H

    1969-06-01

    Superconductivity is reported for Sn/sub 4/P/sub 2.65/ at T/sub c/ 1.2/sup 0/K. Hall constant and reflectivity measurements indicate a mixed type of conduction for Sn/sub 4/P/sub 2.65/ and Sn/sub 3.80/ As/sub 3/. The ionic model of Geller and Hull is not applicable.

  16. IEEE Conference Record of 1976 Twelfth Modulator Symposium, New York City, 4-5 February 1976.

    Science.gov (United States)

    1976-01-01

    volt, 7 ampere compactness, no standby power, and competitive economi - rms, thyristor in a TO-S can) was also considered. cally. Correspondence with...VI V, J* t2 OA WN.T18 MM EGMLS WMPL MW .TAE Fts Puuu 2B - GeEMTinn nP CLOSEY WACED PULSE BY A SHAM. SCRTNAEY IIIs~ 2 T Sv1 cAi 4.-JI j 1f -W J1YL’ LJ

  17. Transverse momentum spectra of hadrons in p + p collisions at CERN SPS energies from the UrQMD transport model

    Science.gov (United States)

    Ozvenchuk, V.; Rybicki, A.

    2018-05-01

    The UrQMD transport model, version 3.4, is used to study the new experimental data on transverse momentum spectra of π±, K±, p and p bar produced in inelastic p + p interactions at SPS energies, recently published by the NA61/SHINE Collaboration. The comparison of model predictions to these new measurements is presented as a function of collision energy for central and forward particle rapidity intervals. In addition, the inverse slope parameters characterizing the transverse momentum distributions are extracted from the predicted spectra and compared to the corresponding values obtained from NA61/SHINE distributions, as a function of particle rapidity and collision energy. A complex pattern of deviations between the experimental data and the UrQMD model emerges. For charged pions, the fair agreement visible at top SPS energies deteriorates with the decreasing energy. For charged K mesons, UrQMD significantly underpredicts positive kaon production at lower beam momenta. It also underpredicts the central rapidity proton yield at top collision energy and overpredicts antiproton production at all considered energies. We conclude that the new experimental data analyzed in this paper still constitute a challenge for the present version of the model.

  18. Crack Tip Mechanics in Distortion Gradient Plasticity

    DEFF Research Database (Denmark)

    Fuentes-Alonso, Sandra; Martínez Pañeda, Emilio

    2017-01-01

    Gradient Plasticity (DGP), the influence on crack tip mechanics of DGP's distinguishing features that entail superior modelling capabilities has not been investigated yet. In this work crack tip fields are thoroughly examined by implementing the higher order theory of DGP in an implicit finite element...

  19. Atrial fibrillation and the 4P medicine.

    Science.gov (United States)

    Censi, Federica; Cianfrocca, Cinzia; Purificato, Ivana

    2013-01-01

    Although the paradigm of the 4P medicine - Predictive, Personalized, Preemptive, and Participatory - has been suggested several years ago, its application to atrial fibrillation is still far away. Given the increasing prevalence and incidence of this pathology it is the time to promote preventive strategies, by identifying the risk factors associated to life style and by incentivizing innovative diagnostic technologies. The promotion of the correct life style and of the use of diagnostic devices based on innovative and reliable technologies, represent a first step towards the full realization of the revolution of 4P medicine in atrial fibrillation.

  20. Atrial fibrillation and the 4P medicine

    Directory of Open Access Journals (Sweden)

    Federica Censi

    2013-09-01

    Full Text Available Although the paradigm of the 4P medicine - Predictive, Personalized, Preemptive, and Participatory - has been suggested several years ago, its application to atrial fibrillation is still far away. Given the increasing prevalence and incidence of this pathology it is the time to promote preventive strategies, by identifying the risk factors associated to life style and by incentivizing innovative diagnostic technologies. The promotion of the correct life style and of the use of diagnostic devices based on innovative and reliable technologies, represent a first step towards the full realization of the revolution of 4P medicine in atrial fibrillation.

  1. Evidence on Tips for Supporting Reading Skills at Home

    Science.gov (United States)

    What Works Clearinghouse, 2018

    2018-01-01

    This document begins by providing four tips parents and care takers can use to supporting childrens' reading skills at home: (1) Have conversations before, during, and after reading together; (2) Help children learn how to break sentences into words and words into syllables; (3) Help children sound out words smoothly; and (4) Model reading…

  2. Customized atomic force microscopy probe by focused-ion-beam-assisted tip transfer

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Andrew; Butte, Manish J., E-mail: manish.butte@stanford.edu [Department of Pediatrics, Division of Immunology, Allergy and Rheumatology, Stanford University, Stanford, California 94305 (United States)

    2014-08-04

    We present a technique for transferring separately fabricated tips onto tipless atomic force microscopy (AFM) cantilevers, performed using focused ion beam-assisted nanomanipulation. This method addresses the need in scanning probe microscopy for certain tip geometries that cannot be achieved by conventional lithography. For example, in probing complex layered materials or tall biological cells using AFM, a tall tip with a high-aspect-ratio is required to avoid artifacts caused by collisions of the tip's sides with the material being probed. We show experimentally that tall (18 μm) cantilever tips fabricated by this approach reduce squeeze-film damping, which fits predictions from hydrodynamic theory, and results in an increased quality factor (Q) of the fundamental flexural mode. We demonstrate that a customized tip's well-defined geometry, tall tip height, and aspect ratio enable improved measurement of elastic moduli by allowing access to low-laying portions of tall cells (T lymphocytes). This technique can be generally used to attach tips to any micromechanical device when conventional lithography of tips cannot be accomplished.

  3. TU-F-17A-03: An Analytical Respiratory Perturbation Model for Lung Motion Prediction

    International Nuclear Information System (INIS)

    Li, G; Yuan, A; Wei, J

    2014-01-01

    Purpose: Breathing irregularity is common, causing unreliable prediction in tumor motion for correlation-based surrogates. Both tidal volume (TV) and breathing pattern (BP=ΔVthorax/TV, where TV=ΔVthorax+ΔVabdomen) affect lung motion in anterior-posterior and superior-inferior directions. We developed a novel respiratory motion perturbation (RMP) model in analytical form to account for changes in TV and BP in motion prediction from simulation to treatment. Methods: The RMP model is an analytical function of patient-specific anatomic and physiologic parameters. It contains a base-motion trajectory d(x,y,z) derived from a 4-dimensional computed tomography (4DCT) at simulation and a perturbation term Δd(ΔTV,ΔBP) accounting for deviation at treatment from simulation. The perturbation is dependent on tumor-specific location and patient-specific anatomy. Eleven patients with simulation and treatment 4DCT images were used to assess the RMP method in motion prediction from 4DCT1 to 4DCT2, and vice versa. For each patient, ten motion trajectories of corresponding points in the lower lobes were measured in both 4DCTs: one served as the base-motion trajectory and the other as the ground truth for comparison. In total, 220 motion trajectory predictions were assessed. The motion discrepancy between two 4DCTs for each patient served as a control. An established 5D motion model was used for comparison. Results: The average absolute error of RMP model prediction in superior-inferior direction is 1.6±1.8 mm, similar to 1.7±1.6 mm from the 5D model (p=0.98). Some uncertainty is associated with limited spatial resolution (2.5mm slice thickness) and temporal resolution (10-phases). Non-corrected motion discrepancy between two 4DCTs is 2.6±2.7mm, with the maximum of ±20mm, and correction is necessary (p=0.01). Conclusion: The analytical motion model predicts lung motion with accuracy similar to the 5D model. The analytical model is based on physical relationships, requires no

  4. Prediction of pure water stress corrosion cracking (PWSCC) in nickel base alloys using crack growth rate models

    International Nuclear Information System (INIS)

    Thompson, C.D.; Krasodomski, H.T.; Lewis, N.; Makar, G.L.

    1995-01-01

    The Ford/Andresen slip dissolution SCC model, originally developed for stainless steel components in BWR environments, has been applied to Alloy 600 and Alloy X-750 tested in deaerated pure water chemistry. A method is described whereby the crack growth rates measured in compact tension specimens can be used to estimate crack growth in a component. Good agreement was found between model prediction and measured SCC in X-750 threaded fasteners over a wide range of temperatures, stresses, and material condition. Most data support the basic assumption of this model that cracks initiate early in life. The evidence supporting a particular SCC mechanism is mixed. Electrochemical repassivation data and estimates of oxide fracture strain indicate that the slip dissolution model can account for the observed crack growth rates, provided primary rather than secondary creep rates are used. However, approximately 100 cross-sectional TEM foils of SCC cracks including crack tips reveal no evidence of enhanced plasticity or unique dislocation patterns at the crack tip or along the crack to support a classic slip dissolution mechanism. No voids, hydrides, or microcracks are found in the vicinity of the crack tips creating doubt about classic hydrogen related mechanisms. The bulk oxide films exhibit a surface oxide which is often different than the oxides found within a crack. Although bulk chromium concentration affects the rate of SCC, analytical data indicates the mechanism does not result from chromium depletion at the grain boundaries. The overall findings support a corrosion/dissolution mechanism but not one necessarily related to slip at the crack tip

  5. Video Quality Prediction over Wireless 4G

    KAUST Repository

    Lau, Chun Pong

    2013-04-14

    In this paper, we study the problem of video quality prediction over the wireless 4G network. Video transmission data is collected from a real 4G SCM testbed for investigating factors that affect video quality. After feature transformation and selection on video and network parameters, video quality is predicted by solving as regression problem. Experimental results show that the dominated factor on video quality is the channel attenuation and video quality can be well estimated by our models with small errors.

  6. Video Quality Prediction over Wireless 4G

    KAUST Repository

    Lau, Chun Pong; Zhang, Xiangliang; Shihada, Basem

    2013-01-01

    In this paper, we study the problem of video quality prediction over the wireless 4G network. Video transmission data is collected from a real 4G SCM testbed for investigating factors that affect video quality. After feature transformation and selection on video and network parameters, video quality is predicted by solving as regression problem. Experimental results show that the dominated factor on video quality is the channel attenuation and video quality can be well estimated by our models with small errors.

  7. Electron field emission characteristics of carbon nanotube on tungsten tip

    International Nuclear Information System (INIS)

    Phan Ngoc Hong; Bui Hung Thang; Nguyen Tuan Hong; Phan Ngoc Minh; Lee, Soonil

    2009-01-01

    Electron field emission characteristic of carbon nanotubes on tungsten tip was investigated in 2x10 -6 Torr vacuum. The measurement results showed that the CNTs/W tip could emit electron at 0.7 V/μm (nearly 10 times lower than that of the W tip itself) and reach up to 26 μA at the electric field of 1 V/μm. The emission characteristic follows the Fowler-Nordheim mechanism. Analysis of the emission characteristic showed that the CNTs/W tip has a very high value of field enhancement factor (β = 4.1 x 10 4 cm -1 ) that is much higher than that of the tungsten tip itself. The results confirmed the excellent field emission behavior of the CNTs materials and the CNTs/W tip is a prospective candidate for advanced electron field emitter.

  8. Does Digital Ad Exposure Influence Information-Seeking Behavior Online? Evidence From the 2012 Tips From Former Smokers National Tobacco Prevention Campaign.

    Science.gov (United States)

    Kim, Annice; Hansen, Heather; Duke, Jennifer; Davis, Kevin; Alexander, Robert; Rowland, Amy; Mitchko, Jane

    2016-03-16

    Measuring the impact of online health campaigns is challenging. Ad click-through rates are traditionally used to measure campaign reach, but few Internet users ever click on ads. Alternatively, self-reported exposure to digital ads would be prone to recall bias. Furthermore, there may be latency effects whereby people do not click on ads when exposed but visit the promoted website or conduct campaign-related searches later. Online panels that unobtrusively collect panelists' Web behavior data and link ad exposure to website visits and searches can more reliably assess the impact of digital ad exposure. From March to June 2012, the Centers for Disease Control and Prevention aired the national Tips From Former Smokers (Tips 2012) media campaign designed to encourage current smokers to quit. Advertisements ran across media channels, and the digital ads directed users to the Tips 2012 campaign website. Our aim was to examine whether exposure to Tips 2012 digital ads influenced information-seeking behaviors online. ComScore mined its panelists' Web behavior data for unique codes that would indicate exposure to Tips 2012 ads, regardless of whether panelists clicked the ad or not. A total of 15,319 US adults were identified as having been exposed to a Tips 2012 campaign ad. An equal number of unexposed adults (N=15,319) were identified and matched on demographics and Internet use behavior to the exposed group. Panelists' Web behavior data were mined for up to 4 weeks after initial Tips 2012 ad exposure to determine whether they visited the Tips 2012 campaign website or other cessation-related websites (eg, nicotine replacement therapy site) or conducted searches for campaign-related topics (eg, quit smoking). The proportion of exposed adults visiting the Tips 2012 sites increased from 0.4% in Week 1 to 0.9% 4 weeks after ad exposure, and these rates were significantly higher than in the unexposed group (0.1% in Week 1 to 0.4% in Week 4, P<.001) across all weeks examined

  9. Modeling of High-Speed InP DHBTs using Electromagnetic Simulation Based De-embedding

    DEFF Research Database (Denmark)

    Johansen, Tom Keinicke; Krozer, Viktor; Konczykowska, Agnieszka

    2006-01-01

    In this paper an approach for high-speed InP DHBT modeling valid to 110 GHz is reported. Electromagnetic (EM) simulation is applied to predict the embedded network model caused by pad parasitics. The form of the parasitic network calls for a 4-step de-embedding approach. Applying direct parameter...... extraction on the de-embedded device response leads to accurate small-signal model description of the InP DHBT. An parameter extraction approach is described for the Agilent HBT model, which assures consistency between large-signal and bias-dependent smallsignal modeling....

  10. Superconducting phase transition in STM tips

    Energy Technology Data Exchange (ETDEWEB)

    Eltschka, Matthias; Jaeck, Berthold; Assig, Maximilian; Etzkorn, Markus; Ast, Christian R. [Max Planck Institute for Solid State Research, Stuttgart (Germany); Kern, Klaus [Max Planck Institute for Solid State Research, Stuttgart (Germany); Ecole Polytechnique Federale de Lausanne (Switzerland)

    2015-07-01

    The superconducting properties of systems with dimensions comparable to the London penetration depth considerably differ from macroscopic systems. We have studied the superconducting phase transition of vanadium STM tips in external magnetic fields. Employing Maki's theory we extract the superconducting parameters such as the gap or the Zeeman splitting from differential conductance spectra. While the Zeeman splitting follows the theoretical description of a system with s=1/2 and g=2, the superconducting gaps as well as the critical fields depend on the specific tip. For a better understanding of the experimental results, we solve a one dimensional Usadel equation modeling the superconducting tip as a cone with the opening angle α in an external magnetic field. We find that only a small region at the apex of the tip is superconducting in high magnetic fields and that the order of the phase transition is directly determined by α. Further, the spectral broadening increases with α indicating an intrinsic broadening mechanism due to the conical shape of the tip. Comparing these calculations to our experimental results reveals the order of the superconducting phase transition of the STM tips.

  11. Coating of tips for electrochemical scanning tunneling microscopy by means of silicon, magnesium, and tungsten oxides

    Science.gov (United States)

    Salerno, Marco

    2010-09-01

    Different combinations of metal tips and oxide coatings have been tested for possible operation in electrochemical scanning tunneling microscopy. Silicon and magnesium oxides have been thermally evaporated onto gold and platinum-iridium tips, respectively. Two different thickness values have been explored for both materials, namely, 40 and 120 nm for silicon oxide and 20 and 60 nm for magnesium oxide. Alternatively, tungsten oxide has been grown on tungsten tips via electrochemical anodization. In the latter case, to seek optimal results we have varied the pH of the anodizing electrolyte between one and four. The oxide coated tips have been first inspected by means of scanning electron microscopy equipped with microanalysis to determine the morphological results of the coating. Second, the coated tips have been electrically characterized ex situ for stability in time by means of cyclic voltammetry in 1 M aqueous KCl supporting electrolyte, both bare and supplemented with K3[Fe(CN)6] complex at 10 mM concentration in milliQ water as an analyte. Only the tungsten oxide coated tungsten tips have shown stable electrical behavior in the electrolyte. For these tips, the uncoated metal area has been estimated from the electrical current levels, and they have been successfully tested by imaging a gold grating in situ, which provided stable results for several hours. The successful tungsten oxide coating obtained at pH=4 has been assigned to the WO3 form.

  12. APTR is a prognostic marker in cirrhotic patients with portal hypertension during TIPS procedure.

    Science.gov (United States)

    Yu, Shanshan; Qi, Yanhua; Jiang, Jue; Wang, Hua; Zhou, Qi

    2018-03-01

    Portal hypertension is a major cause of mortality and morbidity in cirrhotic patients. In this study, we aimed to analyze the clinical characteristics of Alu-mediated p21 transcriptional regulator (APTR) during transjugular intrahepatic portosystemic shunt (TIPS) procedure. Portal and hepatic venous blood was drawn from 84 patients with liver cirrhosis and portal hypertension before and after TIPS treatment. Then, we detected biochemical, hemodynamic parameters and APTR expression before and after TIPS treatment. Indeed, TIPS treatment could markedly ameliorate the serum blood urea nitrogen (BUN) level and portal vein hemodynamics in cirrhotic patients. We found that portal venous levels of APTR was significantly decreased after TIPS treatment and its aberrant expression levels were positively correlated with Model for End Stage Liver Disease (MELD), portal hepatic venous pressure gradient (PHPG) in patients. Higher APTR expression in portal vein was associated with poor prognosis. APTR level in portal vein was an independent predictors of mortality. Our data indicated that APTR may serve as a novel biomarker for cirrhotic patients with portal hypertension before and after receiving TIPS. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Towards easy and reliable AFM tip shape determination using blind tip reconstruction

    International Nuclear Information System (INIS)

    Flater, Erin E.; Zacharakis-Jutz, George E.; Dumba, Braulio G.; White, Isaac A.; Clifford, Charles A.

    2014-01-01

    Quantitative determination of the geometry of an atomic force microscope (AFM) probe tip is critical for robust measurements of the nanoscale properties of surfaces, including accurate measurement of sample features and quantification of tribological characteristics. Blind tip reconstruction, which determines tip shape from an AFM image scan without knowledge of tip or sample shape, was established most notably by Villarrubia [J. Res. Natl. Inst. Stand. Tech. 102 (1997)] and has been further developed since that time. Nevertheless, the implementation of blind tip reconstruction for the general user to produce reliable and consistent estimates of tip shape has been hindered due to ambiguity about how to choose the key input parameters, such as tip matrix size and threshold value, which strongly impact the results of the tip reconstruction. These key parameters are investigated here via Villarrubia's blind tip reconstruction algorithms in which we have added the capability for users to systematically vary the key tip reconstruction parameters, evaluate the set of possible tip reconstructions, and determine the optimal tip reconstruction for a given sample. We demonstrate the capabilities of these algorithms through analysis of a set of simulated AFM images and provide practical guidelines for users of the blind tip reconstruction method. We present a reliable method to choose the threshold parameter corresponding to an optimal reconstructed tip shape for a given image. Specifically, we show that the trend in how the reconstructed tip shape varies with threshold number is so regular that the optimal, or Goldilocks, threshold value corresponds with the peak in the derivative of the RMS difference with respect to the zero threshold curve vs. threshold number. - Highlights: • Blind tip reconstruction algorithms have been implemented and augmented to determine the optimal input parameters. • We demonstrate the capabilities of the algorithms using a simulated AFM

  14. Contact assembly of cell-laden hollow microtubes through automated micromanipulator tip locating

    International Nuclear Information System (INIS)

    Wang, Huaping; Shi, Qing; Guo, Yanan; Li, Yanan; Sun, Tao; Huang, Qiang; Fukuda, Toshio

    2017-01-01

    This paper presents an automated contact assembly method to fabricate a cell-laden microtube based on accurate locating of the micromanipulator tip. Essential for delivering nutrients in thick engineered tissues, a vessel-mimetic microtube can be precisely assembled through microrobotic contact biomanipulation. The biomanipulation is a technique to spatially order and immobilize cellular targets with high precision. However, due to image occlusion during contact, it is challenging to locate the micromanipulator tip for fully automated assembly. To achieve pixel-wise tracking and locating of the tip in contact, a particle filter algorithm integrated with a determined level set model is employed here. The model ensures precise convergence of the micromanipulator’s contour during occlusion. With the converged active contour, the algorithm is able to pixel-wisely separate the micromanipulator from the low-contrast background and precisely locate the tip with error around 1 pixel (2 µ m at 4  ×  magnification). As a result, the cell-laden microtube is automatically assembled at six layers/min, which is effective enough to fabricate vessel-mimetic constructs for vascularization in tissue engineering. (paper)

  15. [Risk Prediction Using Routine Data: Development and Validation of Multivariable Models Predicting 30- and 90-day Mortality after Surgical Treatment of Colorectal Cancer].

    Science.gov (United States)

    Crispin, Alexander; Strahwald, Brigitte; Cheney, Catherine; Mansmann, Ulrich

    2018-06-04

    Quality control, benchmarking, and pay for performance (P4P) require valid indicators and statistical models allowing adjustment for differences in risk profiles of the patient populations of the respective institutions. Using hospital remuneration data for measuring quality and modelling patient risks has been criticized by clinicians. Here we explore the potential of prediction models for 30- and 90-day mortality after colorectal cancer surgery based on routine data. Full census of a major statutory health insurer. Surgical departments throughout the Federal Republic of Germany. 4283 and 4124 insurants with major surgery for treatment of colorectal cancer during 2013 and 2014, respectively. Age, sex, primary and secondary diagnoses as well as tumor locations as recorded in the hospital remuneration data according to §301 SGB V. 30- and 90-day mortality. Elixhauser comorbidities, Charlson conditions, and Charlson scores were generated from the ICD-10 diagnoses. Multivariable prediction models were developed using a penalized logistic regression approach (logistic ridge regression) in a derivation set (patients treated in 2013). Calibration and discrimination of the models were assessed in an internal validation sample (patients treated in 2014) using calibration curves, Brier scores, receiver operating characteristic curves (ROC curves) and the areas under the ROC curves (AUC). 30- and 90-day mortality rates in the learning-sample were 5.7 and 8.4%, respectively. The corresponding values in the validation sample were 5.9% and once more 8.4%. Models based on Elixhauser comorbidities exhibited the highest discriminatory power with AUC values of 0.804 (95% CI: 0.776 -0.832) and 0.805 (95% CI: 0.782-0.828) for 30- and 90-day mortality. The Brier scores for these models were 0.050 (95% CI: 0.044-0.056) and 0.067 (95% CI: 0.060-0.074) and similar to the models based on Charlson conditions. Regardless of the model, low predicted probabilities were well calibrated, while

  16. Cutting efficiency of apical preparation using ultrasonic tips with microprojections: confocal laser scanning microscopy study

    Directory of Open Access Journals (Sweden)

    Sang-Won Kwak

    2014-11-01

    Full Text Available Objectives The purpose of this study was to compare the cutting efficiency of a newly developed microprojection tip and a diamond-coated tip under two different engine powers. Materials and Methods The apical 3-mm of each root was resected, and root-end preparation was performed with upward and downward pressure using one of the ultrasonic tips, KIS-1D (Obtura Spartan or JT-5B (B&L Biotech Ltd.. The ultrasonic engine was set to power-1 or -4. Forty teeth were randomly divided into four groups: K1 (KIS-1D / Power-1, J1 (JT-5B / Power-1, K4 (KIS-1D / Power-4, and J4 (JT-5B / Power-4. The total time required for root-end preparation was recorded. All teeth were resected and the apical parts were evaluated for the number and length of cracks using a confocal scanning micrscope. The size of the root-end cavity and the width of the remaining dentin were recorded. The data were statistically analyzed using two-way analysis of variance and a Mann-Whitney test. Results There was no significant difference in the time required between the instrument groups, but the power-4 groups showed reduced preparation time for both instrument groups (p < 0.05. The K4 and J4 groups with a power-4 showed a significantly higher crack formation and a longer crack irrespective of the instruments. There was no significant difference in the remaining dentin thickness or any of the parameters after preparation. Conclusions Ultrasonic tips with microprojections would be an option to substitute for the conventional ultrasonic tips with a diamond coating with the same clinical efficiency.

  17. P stabilizes dark matter and with CP can predict leptonic phases

    Energy Technology Data Exchange (ETDEWEB)

    Kuchimanchi, Ravi

    2014-02-15

    We find that spontaneously broken parity (P) or left-right symmetry stabilizes darkmatter in a beautiful way. If dark matter has a non-real intrinsic parity ±i (e.g. if it entails Majorana fermions), parity can ensure that it cannot decay to all normal particles with real intrinsic parities. However, if Majorana couplings are absent either in the lepton or the dark sector, P symmetry can be redefined to remove relative non-real intrinsic phases. It is therefore predicted that neutrinos and dark matter fermions must have Majorana masses if dark matter is stable due to parity. The strong CP problem is solved by additionally imposing CP and including vectorlike fermions that help generate CP violation. If leptonlike heavy fermions are provided purely imaginary intrinsic parity phase, they do not couple to the usual leptons, and leptonic CP phases are not generated, which is a testable prediction. Experimentally if leptonic CP phases are not found (if they are consistent with 0 or π) it can be evidence for the type of models in this work where CP is spontaneously or softly broken and there is also a second hidden or softly broken symmetry such as P, Z{sub 2} or Z{sub 4}. However, leptonic CP violation can be present in closely related or some nonminimal versions of these models, such as by also including vectorlike leptons with real intrinsic parities. (orig.)

  18. Model predictive Controller for Mobile Robot

    OpenAIRE

    Alireza Rezaee

    2017-01-01

    This paper proposes a Model Predictive Controller (MPC) for control of a P2AT mobile robot. MPC refers to a group of controllers that employ a distinctly identical model of process to predict its future behavior over an extended prediction horizon. The design of a MPC is formulated as an optimal control problem. Then this problem is considered as linear quadratic equation (LQR) and is solved by making use of Ricatti equation. To show the effectiveness of the proposed method this controller is...

  19. Comprehensive fluence model for absolute portal dose image prediction

    International Nuclear Information System (INIS)

    Chytyk, K.; McCurdy, B. M. C.

    2009-01-01

    Amorphous silicon (a-Si) electronic portal imaging devices (EPIDs) continue to be investigated as treatment verification tools, with a particular focus on intensity modulated radiation therapy (IMRT). This verification could be accomplished through a comparison of measured portal images to predicted portal dose images. A general fluence determination tailored to portal dose image prediction would be a great asset in order to model the complex modulation of IMRT. A proposed physics-based parameter fluence model was commissioned by matching predicted EPID images to corresponding measured EPID images of multileaf collimator (MLC) defined fields. The two-source fluence model was composed of a focal Gaussian and an extrafocal Gaussian-like source. Specific aspects of the MLC and secondary collimators were also modeled (e.g., jaw and MLC transmission factors, MLC rounded leaf tips, tongue and groove effect, interleaf leakage, and leaf offsets). Several unique aspects of the model were developed based on the results of detailed Monte Carlo simulations of the linear accelerator including (1) use of a non-Gaussian extrafocal fluence source function, (2) separate energy spectra used for focal and extrafocal fluence, and (3) different off-axis energy spectra softening used for focal and extrafocal fluences. The predicted energy fluence was then convolved with Monte Carlo generated, EPID-specific dose kernels to convert incident fluence to dose delivered to the EPID. Measured EPID data were obtained with an a-Si EPID for various MLC-defined fields (from 1x1 to 20x20 cm 2 ) over a range of source-to-detector distances. These measured profiles were used to determine the fluence model parameters in a process analogous to the commissioning of a treatment planning system. The resulting model was tested on 20 clinical IMRT plans, including ten prostate and ten oropharyngeal cases. The model predicted the open-field profiles within 2%, 2 mm, while a mean of 96.6% of pixels over all

  20. Critical exponents predicted by grouping of Feynman diagrams in φ4 model

    International Nuclear Information System (INIS)

    Kaupuzs, J.

    2001-01-01

    Different perturbation theory treatments of the Ginzburg-Landau phase transition model are discussed. This includes a criticism of the perturbative renormalization group (RG) approach and a proposal of a novel method providing critical exponents consistent with the known exact solutions in two dimensions. The usual perturbation theory is reorganized by appropriate grouping of Feynman diagrams of φ 4 model with O(n) symmetry. As a result, equations for calculation of the two-point correlation function are obtained which allow to predict possible exact values of critical exponents in two and three dimensions by proving relevant scaling properties of the asymptotic solution at (and near) the criticality. The new values of critical exponents are discussed and compared to the results of numerical simulations and experiments. (orig.)

  1. Parametrization of 2,2,2-trifluoroethanol based on the generalized AMBER force field provides realistic agreement between experimental and calculated properties of pure liquid as well as water-mixed solutions.

    Science.gov (United States)

    Vymětal, Jiří; Vondrášek, Jiří

    2014-09-04

    We present a novel force field model of 2,2,2-trifluoroethanol (TFE) based on the generalized AMBER force field. The model was exhaustively parametrized to reproduce liquid-state properties of pure TFE, namely, density, enthalpy of vaporization, self-diffusion coefficient, and population of trans and gauche conformers. The model predicts excellently other liquid-state properties such as shear viscosity, thermal expansion coefficient, and isotropic compressibility. The resulting model describes unexpectedly well the state equation of the liquid region in the range of 100 K and 10 MPa. More importantly, the proposed TFE model was optimized for use in combination with the TIP4P/Ew and TIP4P/2005 water models. It does not manifest excessive aggregation, which is known for other models, and therefore, it is supposed to more realistically describe the behavior of TFE/water mixtures. This was demonstrated by means of the Kirkwood-Buff theory of solutions and reasonable agreement with experimental data. We explored a considerable part of the parameter space and systematically tested individual combinations of parameters for performance in combination with the TIP4P/Ew and TIP4P/2005 water models. We observed ambiguity in parameters describing pure liquid TFE; however, most of them failed for TFE/water mixtures. We clearly demonstrated the necessity for balanced TFE-TFE, TFE-water, and water-water interactions which can be acquired only by employing implicit polarization correction in the course of parametrization.

  2. A new approach to pH of point of zero charge measurement: crystal-face specificity by scanning force microscopy (SFM)

    Science.gov (United States)

    Eggleston, Carrick M.; Jordan, Guntram

    1998-06-01

    The pH of point of zero charge (pH pzc) is a fundamentally important property used in modeling the interaction of solid surfaces with aqueous solutions and solutes. The pH pzc is normally measured by acid-base titration of solid suspensions. Here, a scanning force microscope (SFM) is used to measure forces of repulsion or attraction between chemically tailored tips and quartz (101) and hematite (001) surfaces, as a function of tip-surface separation and pH. The force at contact (FAC) is at a minimum near the expected point of pH pzc for a chemically similar tip and sample. The results are compared to predicted interaction forces from a simple DLVO model, which shows that the SFM technique for pH pzc measurement is most promising for surfaces (such as iron oxides) that have not-too-widely spaced pK a1 and pK a2 values for surface site deprotonation. However, improvements in precision will be necessary to fully utilize the technique. The SFM approach to pH pzc measurement may in future allow the measurement of crystal-face-specific pH pzc, rather than a weighted average of all exposed surface sites, and thus allow us to ask better-defined structure-reactivity questions for mineral surfaces. The approach can in theory be extended to the single-site scale in order to probe the properties (e.g., potential and charge) of individual terrace, step, or kink sites.

  3. Selecting Optimal Random Forest Predictive Models: A Case Study on Predicting the Spatial Distribution of Seabed Hardness

    Science.gov (United States)

    Li, Jin; Tran, Maggie; Siwabessy, Justy

    2016-01-01

    Spatially continuous predictions of seabed hardness are important baseline environmental information for sustainable management of Australia’s marine jurisdiction. Seabed hardness is often inferred from multibeam backscatter data with unknown accuracy and can be inferred from underwater video footage at limited locations. In this study, we classified the seabed into four classes based on two new seabed hardness classification schemes (i.e., hard90 and hard70). We developed optimal predictive models to predict seabed hardness using random forest (RF) based on the point data of hardness classes and spatially continuous multibeam data. Five feature selection (FS) methods that are variable importance (VI), averaged variable importance (AVI), knowledge informed AVI (KIAVI), Boruta and regularized RF (RRF) were tested based on predictive accuracy. Effects of highly correlated, important and unimportant predictors on the accuracy of RF predictive models were examined. Finally, spatial predictions generated using the most accurate models were visually examined and analysed. This study confirmed that: 1) hard90 and hard70 are effective seabed hardness classification schemes; 2) seabed hardness of four classes can be predicted with a high degree of accuracy; 3) the typical approach used to pre-select predictive variables by excluding highly correlated variables needs to be re-examined; 4) the identification of the important and unimportant predictors provides useful guidelines for further improving predictive models; 5) FS methods select the most accurate predictive model(s) instead of the most parsimonious ones, and AVI and Boruta are recommended for future studies; and 6) RF is an effective modelling method with high predictive accuracy for multi-level categorical data and can be applied to ‘small p and large n’ problems in environmental sciences. Additionally, automated computational programs for AVI need to be developed to increase its computational efficiency and

  4. Thulium fiber laser lithotripsy using a muzzle brake fiber tip

    Science.gov (United States)

    Hutchens, Thomas C.; Gonzalez, David A.; Irby, Pierce B.; Fried, Nathaniel M.

    2017-02-01

    The Thulium fiber laser (TFL) is being explored as an alternative to Holmium:YAG laser for lithotripsy. TFL beam profile allows coupling of higher power into smaller fibers than multimode Holmium laser beam, without proximal fiber tip degradation. A smaller fiber provides more space in ureteroscope working channel for increased saline irrigation and allows maximum ureteroscope flexion. However, distal fiber tip burnback increases as fiber diameter decreases. Previous studies utilizing hollow steel sheaths around recessed distal fiber tips reduced fiber burnback, but increased retropulsion. In this study, a "fiber muzzle brake" was tested for reducing fiber burnback and stone retropulsion. TFL lithotripsy studies were performed at 1908 nm, 35 mJ, 500 μs, and 300 Hz using a 100-μm-core fiber. The optimal stainless steel muzzle brake tip tested consisted of a 1-cm-long, 560-μm-OD, 360-μm-ID tube with 275-μm thru hole located 250-μm from the distal end. The fiber tip was recessed a distance of 500 μm. Stone phantom retropulsion, fiber tip burnback, and calcium oxalate stone ablation studies were performed, ex vivo. Small stones with a mass of 40 +/- 4 mg and 4-mm-diameter were ablated over a 1.5-mm sieve in 25 +/- 4 s (n=10), without distal fiber tip burnback. Reduction in stone phantom retropulsion distance by 50% and 85% was observed when using muzzle brake tips versus 100-μm-core bare fibers and hollow steel tip fibers. The muzzle brake fiber tip provided efficient stone ablation, reduced stone retropulsion, and minimal fiber degradation during TFL lithotripsy.

  5. Clinical Decision Support Model to Predict Occlusal Force in Bruxism Patients.

    Science.gov (United States)

    Thanathornwong, Bhornsawan; Suebnukarn, Siriwan

    2017-10-01

    The aim of this study was to develop a decision support model for the prediction of occlusal force from the size and color of articulating paper markings in bruxism patients. We used the information from the datasets of 30 bruxism patients in which digital measurements of the size and color of articulating paper markings (12-µm Hanel; Coltene/Whaledent GmbH, Langenau, Germany) on canine protected hard stabilization splints were measured in pixels (P) and in red (R), green (G), and blue (B) values using Adobe Photoshop software (Adobe Systems, San Jose, CA, USA). The occlusal force (F) was measured using T-Scan III (Tekscan Inc., South Boston, MA, USA). The multiple regression equation was applied to predict F from the P and RGB. Model evaluation was performed using the datasets from 10 new patients. The patient's occlusal force measured by T-Scan III was used as a 'gold standard' to compare with the occlusal force predicted by the multiple regression model. The results demonstrate that the correlation between the occlusal force and the pixels and RGB of the articulating paper markings was positive (F = 1.62×P + 0.07×R -0.08×G + 0.08×B + 4.74; R 2 = 0.34). There was a high degree of agreement between the occlusal force of the patient measured using T-Scan III and the occlusal force predicted by the model (kappa value = 0.82). The results obtained demonstrate that the multiple regression model can predict the occlusal force using the digital values for the size and color of the articulating paper markings in bruxism patients.

  6. Clinical Decision Support Model to Predict Occlusal Force in Bruxism Patients

    Science.gov (United States)

    Thanathornwong, Bhornsawan

    2017-01-01

    Objectives The aim of this study was to develop a decision support model for the prediction of occlusal force from the size and color of articulating paper markings in bruxism patients. Methods We used the information from the datasets of 30 bruxism patients in which digital measurements of the size and color of articulating paper markings (12-µm Hanel; Coltene/Whaledent GmbH, Langenau, Germany) on canine protected hard stabilization splints were measured in pixels (P) and in red (R), green (G), and blue (B) values using Adobe Photoshop software (Adobe Systems, San Jose, CA, USA). The occlusal force (F) was measured using T-Scan III (Tekscan Inc., South Boston, MA, USA). The multiple regression equation was applied to predict F from the P and RGB. Model evaluation was performed using the datasets from 10 new patients. The patient's occlusal force measured by T-Scan III was used as a ‘gold standard’ to compare with the occlusal force predicted by the multiple regression model. Results The results demonstrate that the correlation between the occlusal force and the pixels and RGB of the articulating paper markings was positive (F = 1.62×P + 0.07×R –0.08×G + 0.08×B + 4.74; R2 = 0.34). There was a high degree of agreement between the occlusal force of the patient measured using T-Scan III and the occlusal force predicted by the model (kappa value = 0.82). Conclusions The results obtained demonstrate that the multiple regression model can predict the occlusal force using the digital values for the size and color of the articulating paper markings in bruxism patients. PMID:29181234

  7. Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions

    Energy Technology Data Exchange (ETDEWEB)

    Krishnan, Vengadesan [UNESCO Regional Centre for Biotechnology (RCB), Gurgaon 122 016, Haryana (India); Dwivedi, Prabhat [University of Texas Health Science Center, Houston, TX 77030 (United States); Kim, Brandon J. [San Diego State University, 5500 Campanile Drive, San Diego, CA 92182 (United States); Samal, Alexandra; Macon, Kevin [University of Alabama at Birmingham, Birmingham, AL 35294 (United States); Ma, Xin; Mishra, Arunima [University of Texas Health Science Center, Houston, TX 77030 (United States); Doran, Kelly S. [San Diego State University, 5500 Campanile Drive, San Diego, CA 92182 (United States); Ton-That, Hung [University of Texas Health Science Center, Houston, TX 77030 (United States); Narayana, Sthanam V. L., E-mail: narayana@uab.edu [University of Alabama at Birmingham, Birmingham, AL 35294 (United States); UNESCO Regional Centre for Biotechnology (RCB), Gurgaon 122 016, Haryana (India)

    2013-06-01

    The crystal structure of a 75 kDa central fragment of GBS104, a tip pilin from the 2063V/R strain of Streptococcus agalactiae (group B streptococcus; GBS), is reported. The crystal structure of a 75 kDa central fragment of GBS104, a tip pilin from the 2063V/R strain of Streptococcus agalactiae (group B streptococcus; GBS), is reported. In addition, a homology model of the remaining two domains of GBS104 was built and a model of full-length GBS104 was generated by combining the homology model (the N1 and N4 domains) and the crystal structure of the 75 kDa fragment (the N2 and N3 domains). This rod-shaped GBS104 model is constructed of three IgG-like domains (the N1, N2 and N4 domains) and one vWFA-like domain (the N3 domain). The N1 and N2 domains of GBS104 are assembled with distinct and remote segments contributed by the N- and C-termini. The metal-binding site in the N3 domain of GBS104 is in the closed/low-affinity conformation. Interestingly, this domain hosts two long arms that project away from the metal-binding site. Using site-directed mutagenesis, two cysteine residues that lock the N3 domain of GBS104 into the open/high-affinity conformation were introduced. Both wild-type and disulfide-locked recombinant proteins were tested for binding to extracellular matrix proteins such as collagen, fibronectin, fibrinogen and laminin, and an increase in fibronectin binding affinity was identified for the disulfide-locked N3 domain, suggesting that induced conformational changes may play a possible role in receptor binding.

  8. Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions

    International Nuclear Information System (INIS)

    Krishnan, Vengadesan; Dwivedi, Prabhat; Kim, Brandon J.; Samal, Alexandra; Macon, Kevin; Ma, Xin; Mishra, Arunima; Doran, Kelly S.; Ton-That, Hung; Narayana, Sthanam V. L.

    2013-01-01

    The crystal structure of a 75 kDa central fragment of GBS104, a tip pilin from the 2063V/R strain of Streptococcus agalactiae (group B streptococcus; GBS), is reported. The crystal structure of a 75 kDa central fragment of GBS104, a tip pilin from the 2063V/R strain of Streptococcus agalactiae (group B streptococcus; GBS), is reported. In addition, a homology model of the remaining two domains of GBS104 was built and a model of full-length GBS104 was generated by combining the homology model (the N1 and N4 domains) and the crystal structure of the 75 kDa fragment (the N2 and N3 domains). This rod-shaped GBS104 model is constructed of three IgG-like domains (the N1, N2 and N4 domains) and one vWFA-like domain (the N3 domain). The N1 and N2 domains of GBS104 are assembled with distinct and remote segments contributed by the N- and C-termini. The metal-binding site in the N3 domain of GBS104 is in the closed/low-affinity conformation. Interestingly, this domain hosts two long arms that project away from the metal-binding site. Using site-directed mutagenesis, two cysteine residues that lock the N3 domain of GBS104 into the open/high-affinity conformation were introduced. Both wild-type and disulfide-locked recombinant proteins were tested for binding to extracellular matrix proteins such as collagen, fibronectin, fibrinogen and laminin, and an increase in fibronectin binding affinity was identified for the disulfide-locked N3 domain, suggesting that induced conformational changes may play a possible role in receptor binding

  9. The Dependence of Amyloid‐β Dynamics on Protein Force Fields and Water Models

    DEFF Research Database (Denmark)

    Somavarapu, Arun Kumar; Kepp, Kasper Planeta

    2015-01-01

    We studied the dynamics of Aβ40, involved in Alzheimer's disease, by using 21 methods combined from Amber03, Amber99sb‐ILDN, Charmm27, Charmm22*, OPLS‐2001, OPLS‐2006, OPLS‐2008, Gromos96‐43a1, Gromos96‐53a6, Gromos96‐54a7, and the water models SPC, TIP3P, TIP4P. Major differences in the structur...

  10. CFD Analysis of Scale Effects on Conventional and Tip-Modified Propellers

    DEFF Research Database (Denmark)

    Shin, Keun Woo; Andersen, Poul

    2017-01-01

    Full-scale propeller performance is traditionally predictedby scaling model-scale test results, but the traditionalscaling methods do not take into account hydrodynamicdistinctions of tip-modified propellers in full-scaleperformance. An open-water CFD analysis is made onscale effects of tip...... the transition model shows that laminar and transitionalflow modeling is crucial in model-scale computations.Grid-independent solutions at model and full scale areachieved by grid verification studies. The CFD analysis of scale effects shows that theefficiency gain of the tip-modified propeller is increasedat...

  11. Jagged gives endothelial tip cells an edge.

    Science.gov (United States)

    Suchting, Steven; Eichmann, Anne

    2009-06-12

    Sprouting blood vessels have tip cells that lead and stalk cells that follow. Benedito et al. (2009) now show that competition between endothelial cells for the tip position is regulated by glycosylation of Notch receptors and by the opposing actions of the Notch ligands Jagged1 and Delta-like 4.

  12. Numerical investigation of tip clearance cavitation in Kaplan runners

    Science.gov (United States)

    Nikiforova, K.; Semenov, G.; Kuznetsov, I.; Spiridonov, E.

    2016-11-01

    There is a gap between the Kaplan runner blade and the shroud that makes for a special kind of cavitation: cavitation in the tip leakage flow. Two types of cavitation caused by the presence of clearance gap are known: tip vortex cavitation that appears at the core of the rolled up vortex on the blade suction side and tip clearance cavitation that appears precisely in the gap between the blade tip edge and the shroud. In the context of this work numerical investigation of the model Kaplan runner has been performed taking into account variable tip clearance for several cavitation regimes. The focus is put on investigation of structure and origination of mechanism of cavitation in the tip leakage flow. Calculations have been performed with the help of 3-D unsteady numerical model for two-phase medium. Modeling of turbulent flow in this work has been carried out using full equations of Navier-Stokes averaged by Reynolds with correction for streamline curvature and system rotation. For description of this medium (liquid-vapor) simplification of Euler approach is used; it is based on the model of interpenetrating continuums, within the bounds of this two- phase medium considered as a quasi-homogeneous mixture with the common velocity field and continuous distribution of density for both phases. As a result, engineering techniques for calculation of cavitation conditioned by existence of tip clearance in model turbine runner have been developed. The detailed visualization of the flow was carried out and vortex structure on the suction side of the blade was reproduced. The range of frequency with maximum value of pulsation was assigned and maximum energy frequency was defined; it is based on spectral analysis of the obtained data. Comparison between numerical computation results and experimental data has been also performed. The location of cavitation zone has a good agreement with experiment for all analyzed regimes.

  13. A prediction of 3-D viscous flow and performance of the NASA Low-Speed Centrifugal Compressor

    Science.gov (United States)

    Moore, John; Moore, Joan G.

    1990-01-01

    A prediction of the three-dimensional turbulent flow in the NASA Low-Speed Centrifugal Compressor Impeller has been made. The calculation was made for the compressor design conditions with the specified uniform tip clearance gap. The predicted performance is significantly worse than that predicted in the NASA design study. This is explained by the high tip leakage flow in the present calculation and by the different model adopted for tip leakage flow mixing. The calculation gives an accumulation of high losses in the shroud/pressure-side quadrant near the exit of the impeller. It also predicts a region of meridional backflow near the shroud wall. Both of these flow features should be extensive enough in the NASA impeller to allow detailed flow measurements, leading to improved flow modeling. Recommendations are made for future flow studies in the NASA impeller.

  14. Survival benefit of TIPS versus serial paracentesis in patients with refractory ascites: a single institution case-control propensity score analysis

    International Nuclear Information System (INIS)

    Gaba, R.C.; Parvinian, A.; Casadaban, L.C.; Couture, P.M.; Zivin, S.P.; Lakhoo, J.; Minocha, J.; Ray, C.E.; Knuttinen, M.G.; Bui, J.T.

    2015-01-01

    Aim: To compare the impact of covered stent-graft transjugular intrahepatic portosystemic shunt (TIPS) versus serial paracentesis on survival of patients with medically refractory ascites. Materials and methods: In this retrospective study, cirrhotic patients who underwent covered stent-graft TIPS for refractory ascites from 2003–2013 were compared with similar patients who underwent serial paracentesis during 2009–2013. Demographic and liver disease data, Model for End-Stage Liver Disease (MELD) scores, and survival outcomes were obtained from hospital electronic medical records and the social security death index. After propensity score weighting to match study group characteristics, survival outcomes were compared using Kaplan–Meier statistics with log-rank analysis. Results: Seventy TIPS (70% men, mean age 55.7 years, mean MELD 15.1) and 80 paracentesis (58% men, mean age 53.5 years, mean MELD 22.5) patients were compared. The TIPS haemodynamic success rate was 100% (mean portosystemic pressure gradient reduction 13 mmHg). Paracentesis patients underwent a mean of 7.9 procedures. After propensity score weighting to balance group features, TIPS patients showed a trend toward enhanced survival compared with paracentesis patients (median survival 1037 versus 262 days, p = 0.074). TIPS conferred a significant increase or trend toward improved survival compared with paracentesis at 1 (66% versus 44%, p = 0.018), 2 (56% versus 38%, p = 0.057), and 3 year (49% versus 32%, p = 0.077) time points. Thirty and 90 day mortality rates were not statistically increased by TIPS. Conclusion: Covered stent-graft TIPS improves intermediate- to long-term survival without significantly increasing short-term mortality of ascites patients, and suggests a greater potential role for TIPS in properly selected ascitic patients when medical management fails. - Highlights: • The survival benefit of TIPS for patients with refractory ascites remains unproven. • A case

  15. Sensitivity and uncertainty analysis for a field-scale P loss model

    Science.gov (United States)

    Models are often used to predict phosphorus (P) loss from agricultural fields. While it is commonly recognized that there are inherent uncertainties with model predictions, limited studies have addressed model prediction uncertainty. In this study we assess the effect of model input error on predict...

  16. Accuracy assessment of landslide prediction models

    International Nuclear Information System (INIS)

    Othman, A N; Mohd, W M N W; Noraini, S

    2014-01-01

    The increasing population and expansion of settlements over hilly areas has greatly increased the impact of natural disasters such as landslide. Therefore, it is important to developed models which could accurately predict landslide hazard zones. Over the years, various techniques and models have been developed to predict landslide hazard zones. The aim of this paper is to access the accuracy of landslide prediction models developed by the authors. The methodology involved the selection of study area, data acquisition, data processing and model development and also data analysis. The development of these models are based on nine different landslide inducing parameters i.e. slope, land use, lithology, soil properties, geomorphology, flow accumulation, aspect, proximity to river and proximity to road. Rank sum, rating, pairwise comparison and AHP techniques are used to determine the weights for each of the parameters used. Four (4) different models which consider different parameter combinations are developed by the authors. Results obtained are compared to landslide history and accuracies for Model 1, Model 2, Model 3 and Model 4 are 66.7, 66.7%, 60% and 22.9% respectively. From the results, rank sum, rating and pairwise comparison can be useful techniques to predict landslide hazard zones

  17. An attempt to optimize potassium sorbate use to preserve low pH (4.5-5.5) intermediate moisture bakery products by modelling Eurotium spp., Aspergillus spp. and Penicillium corylophilum growth.

    Science.gov (United States)

    Guynot, M Elena; Marín, Sonia; Sanchis, Vicente; Ramos, Antonio J

    2005-05-25

    Mould growth was modelled on fermented bakery product analogues (FBPA) of two different pH (4.5 and 5.5), different water activity (a(w)) levels (0.80-0.90) and potassium sorbate concentrations (0-0.3%) by using seven moulds commonly causing spoilage of bakery products (Eurotium spp., Aspergillus spp. and Penicillium corylophilum). For the description of fungal growth (growth rates) as a function of a(w), potassium sorbate concentration and pH, 10-terms polynomial models were developed. Modelling enables prediction of spoilage during storage as a function of the factors affecting fungal growth. At pH 4.5 the concentration of potassium sorbate could be reduced to some extent only at low levels of a(w), whereas at pH 5.5 fungal growth was observed even by adding 0.3% of potassium sorbate. However, this preservative could be a valuable alternative as antifungal in such bakery product, of slightly acidic pH, if a long shelf life has not to be achieved.

  18. Anesthetic efficacy of the supplemental X-tip intraosseous injection using 4% articaine with 1:100,000 adrenaline in patients with irreversible pulpitis: An in vivo study.

    Science.gov (United States)

    Bhuyan, Atool Chandra; Latha, Satheesh Sasidharan; Jain, Shefali; Kataki, Rubi

    2014-11-01

    Pain management remains the utmost important qualifying criteria in minimizing patient agony and establishing a strong dentist-patient rapport. Symptomatic irreversible pulpitis is a painful condition necessitating immediate attention and supplemental anesthetic techniques are often resorted to in addition to conventional inferior alveolar nerve block. The purpose of the study was to evaluate the anesthetic efficacy of X-tip intraosseous injection in patients with symptomatic irreversible pulpitis, in mandibular posterior teeth, using 4% Articaine with 1:100,000 adrenaline as local anesthetic, when the conventional inferior alveolar nerve block proved ineffective. X-tip system was used to administer 1.7 ml of 4% articaine with 1:100,000 adrenaline in 30 patients diagnosed with irreversible pulpitis of mandibular posterior teeth with moderate to severe pain on endodontic access after administration of an inferior alveolar nerve block. The results of the study showed that 25 X-tip injections (83.33%) were successful and 5 X-tip injections (16.66%) were unsuccessful. When the inferior alveolar nerve block fails to provide adequate pulpal anesthesia, X-tip system using 4% articaine with 1:100,000 adrenaline was successful in achieving pulpal anesthesia in patients with irreversible pulpitis.

  19. Iowa calibration of MEPDG performance prediction models.

    Science.gov (United States)

    2013-06-01

    This study aims to improve the accuracy of AASHTO Mechanistic-Empirical Pavement Design Guide (MEPDG) pavement : performance predictions for Iowa pavement systems through local calibration of MEPDG prediction models. A total of 130 : representative p...

  20. Molecular-based Equation of State for TIP4P Water

    Czech Academy of Sciences Publication Activity Database

    Jirsák, Jan; Nezbeda, Ivo

    2007-01-01

    Roč. 136, č. 3 (2007), s. 310-316 ISSN 0167-7322 R&D Projects: GA AV ČR 1ET400720409; GA AV ČR IAA4072303 Institutional research plan: CEZ:AV0Z40720504 Keywords : equation of state * perturbation theory * primitive models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.982, year: 2007

  1. Comorbidity predicts poor prognosis in nasopharyngeal carcinoma: Development and validation of a predictive score model

    International Nuclear Information System (INIS)

    Guo, Rui; Chen, Xiao-Zhong; Chen, Lei; Jiang, Feng; Tang, Ling-Long; Mao, Yan-Ping; Zhou, Guan-Qun; Li, Wen-Fei; Liu, Li-Zhi; Tian, Li; Lin, Ai-Hua; Ma, Jun

    2015-01-01

    Background and purpose: The impact of comorbidity on prognosis in nasopharyngeal carcinoma (NPC) is poorly characterized. Material and methods: Using the Adult Comorbidity Evaluation-27 (ACE-27) system, we assessed the prognostic value of comorbidity and developed, validated and confirmed a predictive score model in a training set (n = 658), internal validation set (n = 658) and independent set (n = 652) using area under the receiver operating curve analysis. Results: Comorbidity was present in 40.4% of 1968 patients (mild, 30.1%; moderate, 9.1%; severe, 1.2%). Compared to an ACE-27 score ⩽1, patients with an ACE-27 score >1 in the training set had shorter overall survival (OS) and disease-free survival (DFS) (both P < 0.001), similar results were obtained in the other sets (P < 0.05). In multivariate analysis, ACE-27 score was a significant independent prognostic factor for OS and DFS. The combined risk score model including ACE-27 had superior prognostic value to TNM stage alone in the internal validation set (0.70 vs. 0.66; P = 0.02), independent set (0.73 vs. 0.67; P = 0.002) and all patients (0.71 vs. 0.67; P < 0.001). Conclusions: Comorbidity significantly affects prognosis, especially in stages II and III, and should be incorporated into the TNM staging system for NPC. Assessment of comorbidity may improve outcome prediction and help tailor individualized treatment

  2. Computerized prediction of intensive care unit discharge after cardiac surgery: development and validation of a Gaussian processes model

    Directory of Open Access Journals (Sweden)

    Meyfroidt Geert

    2011-10-01

    Full Text Available Abstract Background The intensive care unit (ICU length of stay (LOS of patients undergoing cardiac surgery may vary considerably, and is often difficult to predict within the first hours after admission. The early clinical evolution of a cardiac surgery patient might be predictive for his LOS. The purpose of the present study was to develop a predictive model for ICU discharge after non-emergency cardiac surgery, by analyzing the first 4 hours of data in the computerized medical record of these patients with Gaussian processes (GP, a machine learning technique. Methods Non-interventional study. Predictive modeling, separate development (n = 461 and validation (n = 499 cohort. GP models were developed to predict the probability of ICU discharge the day after surgery (classification task, and to predict the day of ICU discharge as a discrete variable (regression task. GP predictions were compared with predictions by EuroSCORE, nurses and physicians. The classification task was evaluated using aROC for discrimination, and Brier Score, Brier Score Scaled, and Hosmer-Lemeshow test for calibration. The regression task was evaluated by comparing median actual and predicted discharge, loss penalty function (LPF ((actual-predicted/actual and calculating root mean squared relative errors (RMSRE. Results Median (P25-P75 ICU length of stay was 3 (2-5 days. For classification, the GP model showed an aROC of 0.758 which was significantly higher than the predictions by nurses, but not better than EuroSCORE and physicians. The GP had the best calibration, with a Brier Score of 0.179 and Hosmer-Lemeshow p-value of 0.382. For regression, GP had the highest proportion of patients with a correctly predicted day of discharge (40%, which was significantly better than the EuroSCORE (p Conclusions A GP model that uses PDMS data of the first 4 hours after admission in the ICU of scheduled adult cardiac surgery patients was able to predict discharge from the ICU as a

  3. Theoretical prediction of crystallization kinetics of a supercooled Lennard-Jones fluid

    Science.gov (United States)

    Gunawardana, K. G. S. H.; Song, Xueyu

    2018-05-01

    The first order curvature correction to the crystal-liquid interfacial free energy is calculated using a theoretical model based on the interfacial excess thermodynamic properties. The correction parameter (δ), which is analogous to the Tolman length at a liquid-vapor interface, is found to be 0.48 ± 0.05 for a Lennard-Jones (LJ) fluid. We show that this curvature correction is crucial in predicting the nucleation barrier when the size of the crystal nucleus is small. The thermodynamic driving force (Δμ) corresponding to available simulated nucleation conditions is also calculated by combining the simulated data with a classical density functional theory. In this paper, we show that the classical nucleation theory is capable of predicting the nucleation barrier with excellent agreement to the simulated results when the curvature correction to the interfacial free energy is accounted for.

  4. A Toolkit to Study Sensitivity of the Geant4 Predictions to the Variations of the Physics Model Parameters

    Energy Technology Data Exchange (ETDEWEB)

    Fields, Laura [Fermilab; Genser, Krzysztof [Fermilab; Hatcher, Robert [Fermilab; Kelsey, Michael [SLAC; Perdue, Gabriel [Fermilab; Wenzel, Hans [Fermilab; Wright, Dennis H. [SLAC; Yarba, Julia [Fermilab

    2017-08-21

    Geant4 is the leading detector simulation toolkit used in high energy physics to design detectors and to optimize calibration and reconstruction software. It employs a set of carefully validated physics models to simulate interactions of particles with matter across a wide range of interaction energies. These models, especially the hadronic ones, rely largely on directly measured cross-sections and phenomenological predictions with physically motivated parameters estimated by theoretical calculation or measurement. Because these models are tuned to cover a very wide range of possible simulation tasks, they may not always be optimized for a given process or a given material. This raises several critical questions, e.g. how sensitive Geant4 predictions are to the variations of the model parameters, or what uncertainties are associated with a particular tune of a Geant4 physics model, or a group of models, or how to consistently derive guidance for Geant4 model development and improvement from a wide range of available experimental data. We have designed and implemented a comprehensive, modular, user-friendly software toolkit to study and address such questions. It allows one to easily modify parameters of one or several Geant4 physics models involved in the simulation, and to perform collective analysis of multiple variants of the resulting physics observables of interest and comparison against a variety of corresponding experimental data. Based on modern event-processing infrastructure software, the toolkit offers a variety of attractive features, e.g. flexible run-time configurable workflow, comprehensive bookkeeping, easy to expand collection of analytical components. Design, implementation technology, and key functionalities of the toolkit are presented and illustrated with results obtained with Geant4 key hadronic models.

  5. Results of the radiological survey at 17 Redstone Lane, Lodi, New Jersey (LJ030)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.F.; Crutcher, J.W.

    1989-06-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 17 Redstone Lane, Lodi, New Jersey (LJ030), was conducted during 1985 and 1986. Results of the survey demonstrated radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions are typical of the type of material originating from the MCW site. 4 refs., 7 figs., 3 tabs

  6. Results of the radiological survey at 7 Redstone Lane, Lodi, New Jersey (LJ044)

    International Nuclear Information System (INIS)

    Cottrell, W.D.; Floyd, L.M.; Francis, M.W.; Mynatt, J.O.

    1989-10-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclides analyses. The survey of this site, 7 Redstone Lane, Lodi, New Jersey (LJ044), was conducted during 1985 and 1986. Some radionuclide measurements were greater than typical background levels in the northern New Jersey area. However, results of the survey demonstrated no radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. 5 refs., 4 figs., 3 tabs

  7. Measurement and ANN prediction of pH-dependent solubility of nitrogen-heterocyclic compounds.

    Science.gov (United States)

    Sun, Feifei; Yu, Qingni; Zhu, Jingke; Lei, Lecheng; Li, Zhongjian; Zhang, Xingwang

    2015-09-01

    Based on the solubility of 25 nitrogen-heterocyclic compounds (NHCs) measured by saturation shake-flask method, artificial neural network (ANN) was employed to the study of the quantitative relationship between the structure and pH-dependent solubility of NHCs. With genetic algorithm-multivariate linear regression (GA-MLR) approach, five out of the 1497 molecular descriptors computed by Dragon software were selected to describe the molecular structures of NHCs. Using the five selected molecular descriptors as well as pH and the partial charge on the nitrogen atom of NHCs (QN) as inputs of ANN, a quantitative structure-property relationship (QSPR) model without using Henderson-Hasselbalch (HH) equation was successfully developed to predict the aqueous solubility of NHCs in different pH water solutions. The prediction model performed well on the 25 model NHCs with an absolute average relative deviation (AARD) of 5.9%, while HH approach gave an AARD of 36.9% for the same model NHCs. It was found that QN played a very important role in the description of NHCs and, with QN, ANN became a potential tool for the prediction of pH-dependent solubility of NHCs. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. A real-time prediction model for post-irradiation malignant cervical lymph nodes.

    Science.gov (United States)

    Lo, W-C; Cheng, P-W; Shueng, P-W; Hsieh, C-H; Chang, Y-L; Liao, L-J

    2018-04-01

    To establish a real-time predictive scoring model based on sonographic characteristics for identifying malignant cervical lymph nodes (LNs) in cancer patients after neck irradiation. One-hundred forty-four irradiation-treated patients underwent ultrasonography and ultrasound-guided fine-needle aspirations (USgFNAs), and the resultant data were used to construct a real-time and computerised predictive scoring model. This scoring system was further compared with our previously proposed prediction model. A predictive scoring model, 1.35 × (L axis) + 2.03 × (S axis) + 2.27 × (margin) + 1.48 × (echogenic hilum) + 3.7, was generated by stepwise multivariate logistic regression analysis. Neck LNs were considered to be malignant when the score was ≥ 7, corresponding to a sensitivity of 85.5%, specificity of 79.4%, positive predictive value (PPV) of 82.3%, negative predictive value (NPV) of 83.1%, and overall accuracy of 82.6%. When this new model and the original model were compared, the areas under the receiver operating characteristic curve (c-statistic) were 0.89 and 0.81, respectively (P real-time sonographic predictive scoring model was constructed to provide prompt and reliable guidance for USgFNA biopsies to manage cervical LNs after neck irradiation. © 2017 John Wiley & Sons Ltd.

  9. Comparison of different types of phacoemulsification tips. I. Quantitative analysis of elemental composition and tip surface microroughness.

    Science.gov (United States)

    Tsaousis, Konstantinos T; Werner, Liliana; Perez, Jesus Paulo; Li, He J; Reiter, Nicholas; Guan, Jia J; Mamalis, Nick

    2016-09-01

    To evaluate the elemental composition of phacoemulsification tips and their surface roughness in the microscale. John A. Moran Eye Center and Utah Nanofab, College of Engineering, University of Utah, Salt Lake City, Utah, USA. Experimental study. Seven types of phacoemulsification tips were studied. The phaco tips were examined through energy-dispersive x-ray spectroscopy (EDS) and x-ray photoelectron spectroscopy (XPS) for elemental composition. In addition, the roughness of the opening in all tips was assessed through 3-dimensional white-light interferometry. Elemental analysis showed considerable differences in the surface layers between manufacturers. Alcon tips had a thinner oxidized titanium (Ti) layer in their surface. Through XPS, vanadium was not detected in the superficial layers of any tip, but only in deeper levels. The microroughness surface analysis showed comparable results regarding their root-mean-square (RMS) metric. Maximum peak valley distance values varied and appeared to be dependent on the quality of material process rather than the material itself. Phacoemulsification tips are made of Ti alloys and showed differences between models, especially regarding their composition in the superficial layers. Their opening end roughness showed an overall appropriate RMS value of less than 1.0 μm in all cases. The existence of small defected areas highlights the importance of adequate quality control of these critical surgical instruments. None of the authors has a financial or proprietary interest in any material or method mentioned. Copyright © 2016 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

  10. An effective finite element model for the prediction of hydrogen induced cracking in steel pipelines

    KAUST Repository

    Traidia, Abderrazak

    2012-11-01

    This paper presents a comprehensive finite element model for the numerical simulation of Hydrogen Induced Cracking (HIC) in steel pipelines exposed to sulphurous compounds, such as hydrogen sulphide (H2S). The model is able to mimic the pressure build-up mechanism related to the recombination of atomic hydrogen into hydrogen gas within the crack cavity. In addition, the strong couplings between non-Fickian hydrogen diffusion, pressure build-up and crack extension are accounted for. In order to enhance the predictive capabilities of the proposed model, problem boundary conditions are based on actual in-field operating parameters, such as pH and partial pressure of H 2S. The computational results reported herein show that, during the extension phase, the propagating crack behaves like a trap attracting more hydrogen, and that the hydrostatic stress field at the crack tip speed-up HIC related crack initiation and growth. In addition, HIC is reduced when the pH increases and the partial pressure of H2S decreases. Furthermore, the relation between the crack growth rate and (i) the initial crack radius and position, (ii) the pipe wall thickness and (iii) the fracture toughness, is also evaluated. Numerical results agree well with experimental data retrieved from the literature. Copyright © 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

  11. Role of ultrasound for central catheter tip localization in neonates: a review of the current evidence.

    Science.gov (United States)

    Sharma, Deepak; Farahbakhsh, Nazanin; Tabatabaii, Seyyed Ahmad

    2018-02-15

    Central catheters are known as "life lines" in intensive care units and are used frequently in neonatal intensive care unit (NICU) for multiple indications. The central catheters used in NICU includes umbilical venous catheter (UVC), umbilical arterial catheter (UAC) and peripherally inserted central catheter (PICC) lines. The tip of these central lines needs to be in a correct position as malpositioned central line tips lead to many neonatal complications. Radiograph either abdomen or chest is the most widely used modality for locating the tip of the central catheter. There are many disadvantages of radiographic confirmation of tip position and recently ultrasound (USG)/echocardiography has been used for localization of catheter tip. USG provides real-time assessment of the tip position with other added advantages like no radiation exposure, need for minimal training for performing USG, minimal handling of the neonate, identification of migration of central lines and making repositioning of central lines under USG guidance. The present evidence supports the use of USG/Echo for localization of central catheter tip and USG has shown to have good sensitivity, specificity, positive predictive value and negative predictive value when compared with a radiograph. In this review, we discuss about the role of USG/Echo in the identification of tip of central catheters in neonatal care.

  12. Observations of tip vortex cavitation inception from a model marine propeller

    Science.gov (United States)

    Lodha, R. K.; Arakeri, V. H.

    1984-01-01

    Cavitation inception characteristics of a model marine propeller having three blades, developed area ratio of 0.34 and at three different pitch to diameter ratios of 0.62, 0.83 and 1.0 are reported. The dominant type of cavitation observed at inception was the tip vortex type. The measured magnitude of inception index is found to agree well with a proposed correlation due to Strasberg. Performance calculations of the propeller based on combined vortex and blade element theory are also presented.

  13. Prediction of pKa Values for Druglike Molecules Using Semiempirical Quantum Chemical Methods.

    Science.gov (United States)

    Jensen, Jan H; Swain, Christopher J; Olsen, Lars

    2017-01-26

    Rapid yet accurate pK a prediction for druglike molecules is a key challenge in computational chemistry. This study uses PM6-DH+/COSMO, PM6/COSMO, PM7/COSMO, PM3/COSMO, AM1/COSMO, PM3/SMD, AM1/SMD, and DFTB3/SMD to predict the pK a values of 53 amine groups in 48 druglike compounds. The approach uses an isodesmic reaction where the pK a value is computed relative to a chemically related reference compound for which the pK a value has been measured experimentally or estimated using a standard empirical approach. The AM1- and PM3-based methods perform best with RMSE values of 1.4-1.6 pH units that have uncertainties of ±0.2-0.3 pH units, which make them statistically equivalent. However, for all but PM3/SMD and AM1/SMD the RMSEs are dominated by a single outlier, cefadroxil, caused by proton transfer in the zwitterionic protonation state. If this outlier is removed, the RMSE values for PM3/COSMO and AM1/COSMO drop to 1.0 ± 0.2 and 1.1 ± 0.3, whereas PM3/SMD and AM1/SMD remain at 1.5 ± 0.3 and 1.6 ± 0.3/0.4 pH units, making the COSMO-based predictions statistically better than the SMD-based predictions. For pK a calculations where a zwitterionic state is not involved or proton transfer in a zwitterionic state is not observed, PM3/COSMO or AM1/COSMO is the best pK a prediction method; otherwise PM3/SMD or AM1/SMD should be used. Thus, fast and relatively accurate pK a prediction for 100-1000s of druglike amines is feasible with the current setup and relatively modest computational resources.

  14. The effect of tip speed ratio on a vertical axis wind turbine at high Reynolds numbers

    Science.gov (United States)

    Parker, Colin M.; Leftwich, Megan C.

    2016-05-01

    This work visualizes the flow surrounding a scaled model vertical axis wind turbine at realistic operating conditions. The model closely matches geometric and dynamic properties—tip speed ratio and Reynolds number—of a full-size turbine. The flow is visualized using particle imaging velocimetry (PIV) in the midplane upstream, around, and after (up to 4 turbine diameters downstream) the turbine, as well as a vertical plane behind the turbine. Time-averaged results show an asymmetric wake behind the turbine, regardless of tip speed ratio, with a larger velocity deficit for a higher tip speed ratio. For the higher tip speed ratio, an area of averaged flow reversal is present with a maximum reverse flow of -0.04U_∞. Phase-averaged vorticity fields—achieved by syncing the PIV system with the rotation of the turbine—show distinct structures form from each turbine blade. There were distinct differences in results by tip speed ratios of 0.9, 1.3, and 2.2 of when in the cycle structures are shed into the wake—switching from two pairs to a single pair of vortices being shed—and how they convect into the wake—the middle tip speed ratio vortices convect downstream inside the wake, while the high tip speed ratio pair is shed into the shear layer of the wake. Finally, results show that the wake structure is much more sensitive to changes in tip speed ratio than to changes in Reynolds number.

  15. Aeroelastic behavior of composite rotor blades with swept tips

    Science.gov (United States)

    Yuan, Kuo-An; Friedmann, Peretz P.; Venkatesan, Comandur

    1992-01-01

    This paper presents an analytical study of the aeroelastic behavior of composite rotor blades with straight and swept tips. The blade is modeled by beam type finite elements. A single finite element is used to model the swept tip. The nonlinear equations of motion for the finite element model are derived using Hamilton's principle and based on a moderate deflection theory and accounts for: arbitrary cross-sectional shape, pretwist, generally anisotropic material behavior, transverse shears and out-of-plane warping. Numerical results illustrating the effects of tip sweep, anhedral and composite ply orientation on blade aeroelastic behavior are presented. It is shown that composite ply orientation has a substantial effect on blade stability. At low thrust conditions, certain ply orientations can cause instability in the lag mode. The flap-torsion coupling associated with tip sweep can also induce aeroelastic instability in the blade. This instability can be removed by appropriate ply orientation in the composite construction.

  16. [Study on the ARIMA model application to predict echinococcosis cases in China].

    Science.gov (United States)

    En-Li, Tan; Zheng-Feng, Wang; Wen-Ce, Zhou; Shi-Zhu, Li; Yan, Lu; Lin, Ai; Yu-Chun, Cai; Xue-Jiao, Teng; Shun-Xian, Zhang; Zhi-Sheng, Dang; Chun-Li, Yang; Jia-Xu, Chen; Wei, Hu; Xiao-Nong, Zhou; Li-Guang, Tian

    2018-02-26

    To predict the monthly reported echinococcosis cases in China with the autoregressive integrated moving average (ARIMA) model, so as to provide a reference for prevention and control of echinococcosis. SPSS 24.0 software was used to construct the ARIMA models based on the monthly reported echinococcosis cases of time series from 2007 to 2015 and 2007 to 2014, respectively, and the accuracies of the two ARIMA models were compared. The model based on the data of the monthly reported cases of echinococcosis in China from 2007 to 2015 was ARIMA (1, 0, 0) (1, 1, 0) 12 , the relative error among reported cases and predicted cases was -13.97%, AR (1) = 0.367 ( t = 3.816, P ARIMA (1, 0, 0) (1, 0, 1) 12 , the relative error among reported cases and predicted cases was 0.56%, AR (1) = 0.413 ( t = 4.244, P ARIMA models as for the same infectious diseases. It is needed to be further verified that the more data are accumulated, the shorter time of predication is, and the smaller the average of the relative error is. The establishment and prediction of an ARIMA model is a dynamic process that needs to be adjusted and optimized continuously according to the accumulated data, meantime, we should give full consideration to the intensity of the work related to infectious diseases reported (such as disease census and special investigation).

  17. Novel non-invasive biological predictive index for liver fibrosis in hepatitis C virus genotype 4 patients

    Science.gov (United States)

    Khattab, Mahmoud; Sakr, Mohamed Amin; Fattah, Mohamed Abdel; Mousa, Youssef; Soliman, Elwy; Breedy, Ashraf; Fathi, Mona; Gaber, Salwa; Altaweil, Ahmed; Osman, Ashraf; Hassouna, Ahmed; Motawea, Ibrahim

    2016-01-01

    AIM To investigate the diagnostic ability of a non-invasive biological marker to predict liver fibrosis in hepatitis C genotype 4 patients with high accuracy. METHODS A cohort of 332 patients infected with hepatitis C genotype 4 was included in this cross-sectional study. Fasting plasma glucose, insulin, C-peptide, and angiotensin-converting enzyme serum levels were measured. Insulin resistance was mathematically calculated using the homeostasis model of insulin resistance (HOMA-IR). RESULTS Fibrosis stages were distributed based on Metavir score as follows: F0 = 43, F1 = 136, F2 = 64, F3 = 45 and F4 = 44. Statistical analysis relied upon reclassification of fibrosis stages into mild fibrosis (F0-F) = 179, moderate fibrosis (F2) = 64, and advanced fibrosis (F3-F4) = 89. Univariate analysis indicated that age, log aspartate amino transaminase, log HOMA-IR and log platelet count were independent predictors of liver fibrosis stage (P < 0.0001). A stepwise multivariate discriminant functional analysis was used to drive a discriminative model for liver fibrosis. Our index used cut-off values of ≥ 0.86 and ≤ -0.31 to diagnose advanced and mild fibrosis, respectively, with receiving operating characteristics of 0.91 and 0.88, respectively. The sensitivity, specificity, positive predictive value, negative predictive value and positive likelihood ratio were: 73%, 91%, 75%, 90% and 8.0 respectively for advanced fibrosis, and 67%, 88%, 84%, 70% and 4.9, respectively, for mild fibrosis. CONCLUSION Our predictive model is easily available and reproducible, and predicted liver fibrosis with acceptable accuracy. PMID:27917265

  18. Novel non-invasive biological predictive index for liver fibrosis in hepatitis C virus genotype 4 patients.

    Science.gov (United States)

    Khattab, Mahmoud; Sakr, Mohamed Amin; Fattah, Mohamed Abdel; Mousa, Youssef; Soliman, Elwy; Breedy, Ashraf; Fathi, Mona; Gaber, Salwa; Altaweil, Ahmed; Osman, Ashraf; Hassouna, Ahmed; Motawea, Ibrahim

    2016-11-18

    To investigate the diagnostic ability of a non-invasive biological marker to predict liver fibrosis in hepatitis C genotype 4 patients with high accuracy. A cohort of 332 patients infected with hepatitis C genotype 4 was included in this cross-sectional study. Fasting plasma glucose, insulin, C-peptide, and angiotensin-converting enzyme serum levels were measured. Insulin resistance was mathematically calculated using the homeostasis model of insulin resistance (HOMA-IR). Fibrosis stages were distributed based on Metavir score as follows: F0 = 43, F1 = 136, F2 = 64, F3 = 45 and F4 = 44. Statistical analysis relied upon reclassification of fibrosis stages into mild fibrosis (F0-F) = 179, moderate fibrosis (F2) = 64, and advanced fibrosis (F3-F4) = 89. Univariate analysis indicated that age, log aspartate amino transaminase, log HOMA-IR and log platelet count were independent predictors of liver fibrosis stage ( P < 0.0001). A stepwise multivariate discriminant functional analysis was used to drive a discriminative model for liver fibrosis. Our index used cut-off values of ≥ 0.86 and ≤ -0.31 to diagnose advanced and mild fibrosis, respectively, with receiving operating characteristics of 0.91 and 0.88, respectively. The sensitivity, specificity, positive predictive value, negative predictive value and positive likelihood ratio were: 73%, 91%, 75%, 90% and 8.0 respectively for advanced fibrosis, and 67%, 88%, 84%, 70% and 4.9, respectively, for mild fibrosis. Our predictive model is easily available and reproducible, and predicted liver fibrosis with acceptable accuracy.

  19. P4-ATPases

    DEFF Research Database (Denmark)

    Lopez Marques, Rosa Laura; Theorin, Lisa; Palmgren, Michael Broberg

    2014-01-01

    ) comprises lipid flippases that catalyze the translocation of phospholipids from the exoplasmic to the cytosolic leaflet of cell membranes. While initially characterized as aminophospholipid translocases, recent studies of individual P4-ATPase family members from fungi, plants, and animals show that P4......Cellular membranes, notably eukaryotic plasma membranes, are equipped with special proteins that actively translocate lipids from one leaflet to the other and thereby help generate membrane lipid asymmetry. Among these ATP-driven transporters, the P4 subfamily of P-type ATPases (P4-ATPases...... to include the regulation of membrane traffic, cytoskeletal dynamics, cell division, lipid metabolism, and lipid signaling. In this review, we will summarize the basic features of P4-ATPases and the physiological implications of their lipid transport activity in the cell....

  20. Two dimensional untwisted (4,4), twisted (4,4-bar) and chiral supersymmetric non linear σ-models

    International Nuclear Information System (INIS)

    Lhallabi, T.; Saidi, E.H.

    1987-09-01

    D=2 N=(4,4) harmonic superspace analysis is developed. The underlying untwisted (4,4) non linear σ-models are studied. A method of deriving chiral (4,0) and (0,4) models is presented. The Lagrange superparameter leading to the constraint specifying the hyperkahler manifold structure is predicted and its relation to the matter superfield is stated in a covariant way. A known construction is recovered. We show also that (4,4) model is not a direct sum of the chiral ones. Finally a twisted (4,4-bar) model is obtained. (author). 28 refs

  1. Anesthetic efficacy of the supplemental X-tip intraosseous injection using 4% articaine with 1:100,000 adrenaline in patients with irreversible pulpitis: An in vivo study

    Science.gov (United States)

    Bhuyan, Atool Chandra; Latha, Satheesh Sasidharan; Jain, Shefali; Kataki, Rubi

    2014-01-01

    Introduction: Pain management remains the utmost important qualifying criteria in minimizing patient agony and establishing a strong dentist–patient rapport. Symptomatic irreversible pulpitis is a painful condition necessitating immediate attention and supplemental anesthetic techniques are often resorted to in addition to conventional inferior alveolar nerve block. Aim: The purpose of the study was to evaluate the anesthetic efficacy of X-tip intraosseous injection in patients with symptomatic irreversible pulpitis, in mandibular posterior teeth, using 4% Articaine with 1:100,000 adrenaline as local anesthetic, when the conventional inferior alveolar nerve block proved ineffective. Materials and Methods: X-tip system was used to administer 1.7 ml of 4% articaine with 1:100,000 adrenaline in 30 patients diagnosed with irreversible pulpitis of mandibular posterior teeth with moderate to severe pain on endodontic access after administration of an inferior alveolar nerve block. Results: The results of the study showed that 25 X-tip injections (83.33%) were successful and 5 X-tip injections (16.66%) were unsuccessful. Conclusion: When the inferior alveolar nerve block fails to provide adequate pulpal anesthesia, X-tip system using 4% articaine with 1:100,000 adrenaline was successful in achieving pulpal anesthesia in patients with irreversible pulpitis. PMID:25506137

  2. PARTIAL TRISOMY 4p AND PARTIAL MONOSOMY 13q: CASE REPORT AND A LITERATURE REVIEW.

    Science.gov (United States)

    Puvabanditsin, S; Herrera-Garcia, G; Gengel, N; Hussein, K; February, M; Mayne, J; Mehta, R

    2016-01-01

    We report on a term first born dichorionic-diamniotic twin with deletion of the distal long arm of chromosome 13, partial trisomy of the short arm of chromosome 4, intrauterine growth retardation, and multiple anomalies including microcephaly, colpocephaly, absent corpus callosum, bulbous tip of the nose, large and low set ears, macroglossia, thin upper lip, double outlet right ventricle, atria/ventricular septal defect, cleft mitral valve, pulmonary stenosis, single umbilical artery, multicystic dysplastic left kidney, sacral dimple, anterior displacement of anus, simian creases, abnormal thumb (congenital clasped thumb), overlapping toes, and congenital hypothyroidism. This is the first report of a patient with partial trisomy 4p and partial monosomy 13q.

  3. Optical model analysis of intermediate energy p-4He scattering

    International Nuclear Information System (INIS)

    Greben, J.M.; Gourishankar, R.

    1983-03-01

    Recent Wolfenstein R-parameter data are used to explain and resolve previous problems with optical model descriptions of p- 4 He elastic scattering at 500 MeV. An essential component in this optical model analysis is a qualitative interpretation of different features of the elastic data in terms of the Born approximation. First we show that the R-data require the real spin-orbit potential to have certain geometrical properties which were missing in previous analyses. We can then show that the fast fall-off of the cross-section for small angles, together with the rapid increase and subsequent decrease of the polarization, establishes the need for an attractive tail in the real central potentials can also be inferred from this qualitative analysis, in particular a strong reduction of the spin-orbit potential. Our final potential gives a reduction of the X 2 /datapoint by about 20 in comparison to previous potentials, and underlines the usefulness of the qualitative Born analysis

  4. Comparison of Tongue-in-Groove and Columellar Strut on Rotation and Projection in Droopy Nasal Tip: Contribution of a Cap Graft.

    Science.gov (United States)

    Demir, Uygar Levent

    2018-05-01

    Underrotation of the nasal tip with narrow nasolabial angle is a common nasal deformity that leads to a long nose appearance, named drooping nose. In these patients, there are various techniques described to correct droopy tip and to achieve a desirable nasal tip rotation such as lateral crural steal, lateral crural overlay, tongue-ingroove, columellar strut graft, tip rotation sutures, cephalic trimming, and others. In this study, the effects of tongue-in-groove (TIG) and columellar strut graft (CS) and the contribution of cap graft on nasal tip rotation and projection were evaluated. Twenty-eight consecutive patients who underwent open approach rhinoplasty by the same senior author (ULD) between January 2015 and December 2016 with the diagnosis of septonasal deformity and droopy nasal tip were included. In 9 of these patients nasal tip was constructed with strut graft, in 6 patients with both strut and cap grafts, in 6 patients with TIG technique and in 7 patients with both TIG and cap graft. Standardized right lateral images were taken preoperatively and 6 months postoperatively to use for further assessments. The nasal tip rotation was evaluated by measuring nasolabial angle (NLA) and the nasal projection (NP) was evaluated by using the Goode method. Finally, the postoperative values of NLA and NP at the 6th month were compared with preoperative recorded values in between groups. Each group showed increase at nasal projection; however, significance was present only in CS graft and TIG groups (P=0.011 and P=0.027 relatively). Each 4 groups showed significant increase in nasal tip rotation. In addition, the comparison of percent changes between preoperative and postoperative NP and NLA revealed no difference (P=0.56 and P=0.431 relatively). In conclusion, the authors argued that TIG and CS graft techniques are both reliable methods to correct droopy nasal tip and using additional cap graft over dome area when required is safe and useful.

  5. Comparing an Annual and a Daily Time-Step Model for Predicting Field-Scale Phosphorus Loss.

    Science.gov (United States)

    Bolster, Carl H; Forsberg, Adam; Mittelstet, Aaron; Radcliffe, David E; Storm, Daniel; Ramirez-Avila, John; Sharpley, Andrew N; Osmond, Deanna

    2017-11-01

    A wide range of mathematical models are available for predicting phosphorus (P) losses from agricultural fields, ranging from simple, empirically based annual time-step models to more complex, process-based daily time-step models. In this study, we compare field-scale P-loss predictions between the Annual P Loss Estimator (APLE), an empirically based annual time-step model, and the Texas Best Management Practice Evaluation Tool (TBET), a process-based daily time-step model based on the Soil and Water Assessment Tool. We first compared predictions of field-scale P loss from both models using field and land management data collected from 11 research sites throughout the southern United States. We then compared predictions of P loss from both models with measured P-loss data from these sites. We observed a strong and statistically significant ( loss between the two models; however, APLE predicted, on average, 44% greater dissolved P loss, whereas TBET predicted, on average, 105% greater particulate P loss for the conditions simulated in our study. When we compared model predictions with measured P-loss data, neither model consistently outperformed the other, indicating that more complex models do not necessarily produce better predictions of field-scale P loss. Our results also highlight limitations with both models and the need for continued efforts to improve their accuracy. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  6. Analysis of two potential long-distance signaling molecules, LjCLE-RS1/2 and jasmonic acid, in a hypernodulating mutant too much love.

    Science.gov (United States)

    Magori, Shimpei; Kawaguchi, Masayoshi

    2010-04-01

    Legume plants tightly control the number and development of root nodules. This is partly regulated by a long-distance signaling known as auto-regulation of nodulation (AON). AON signaling involves at least two potential long-distance signals: root-derived signal and shoot-derived signal. However, their molecular characteristics and the mode of action remain unclear. In our recent study, we isolated a novel Lotus japonicus hypernodulating mutant too much love (tml). Based on several grafting experiments, we concluded that its causative gene TML functions as a receptor of the shoot-derived signal. This finding prompted us to ask how the candidates of the long-distance signal molecules, LjCLE-RS1/2 and jasmonic acid (JA), are affected in tml mutants. Expression analysis revealed that rapid induction of LjCLE-RS1/2 upon rhizobial inoculation is still intact in tml, supporting that TML plays a role in reception of the shoot-derived signal but not in generation of the root-derived signal. Furthermore, physiological analysis showed that JA, a candidate of the shoot-derived signal, can suppress tml hypernodulation. Therefore, contrary to the previous report, JA might not be a component of AON signaling.

  7. Short communication: QTL mapping for ear tip-barrenness in maize

    Energy Technology Data Exchange (ETDEWEB)

    Ding, J.; Ma, J.; Chen, J.; Ai, T.; Li, Z.; Tian, Z.; Wu, S.; Chen, W.; Wu, J.

    2016-11-01

    Barren tip on corn ear is an important agronomic trait in maize, which is highly associated with grain yield. Understanding the genetic basis of tip-barrenness may help to reduce the ear tip-barrenness in breeding programs. In this study, ear tip-barrenness was evaluated in two environments in a F2:3 population, and it showed significant genotypic variation for ear tip-barrenness in both environments. Using mixed-model composite interval mapping method, three additive effects quantitative trait loci (QTL) for ear tip-barrenness were mapped on chromosomes 2, 3 and 6, respectively. They explained 16.6% of the phenotypic variation, and no significant QTL × Environment interactions and digenic interactions were detected. The results indicated that additive effect was the main genetic basis for ear tip-barrenness in maize. This is the first report of QTL mapped for ear tip-barrenness in maize. (Author)

  8. Climate and pH predict the potential range of the invasive apple snail (Pomacea insularum in the southeastern United States.

    Directory of Open Access Journals (Sweden)

    James E Byers

    Full Text Available Predicting the potential range of invasive species is essential for risk assessment, monitoring, and management, and it can also inform us about a species' overall potential invasiveness. However, modeling the distribution of invasive species that have not reached their equilibrium distribution can be problematic for many predictive approaches. We apply the modeling approach of maximum entropy (MaxEnt that is effective with incomplete, presence-only datasets to predict the distribution of the invasive island apple snail, Pomacea insularum. This freshwater snail is native to South America and has been spreading in the USA over the last decade from its initial introductions in Texas and Florida. It has now been documented throughout eight southeastern states. The snail's extensive consumption of aquatic vegetation and ability to accumulate and transmit algal toxins through the food web heighten concerns about its spread. Our model shows that under current climate conditions the snail should remain mostly confined to the coastal plain of the southeastern USA where it is limited by minimum temperature in the coldest month and precipitation in the warmest quarter. Furthermore, low pH waters (pH <5.5 are detrimental to the snail's survival and persistence. Of particular note are low-pH blackwater swamps, especially Okefenokee Swamp in southern Georgia (with a pH below 4 in many areas, which are predicted to preclude the snail's establishment even though many of these areas are well matched climatically. Our results elucidate the factors that affect the regional distribution of P. insularum, while simultaneously presenting a spatial basis for the prediction of its future spread. Furthermore, the model for this species exemplifies that combining climatic and habitat variables is a powerful way to model distributions of invasive species.

  9. Ligand and structure-based classification models for Prediction of P-glycoprotein inhibitors

    DEFF Research Database (Denmark)

    Klepsch, Freya; Poongavanam, Vasanthanathan; Ecker, Gerhard Franz

    2014-01-01

    an algorithm based on Euclidean distance. Results show that random forest and SVM performed best for classification of P-gp inhibitors and non-inhibitors, correctly predicting 73/75 % of the external test set compounds. Classification based on the docking experiments using the scoring function Chem...

  10. Scaled multiple holes suction tip for microneurosurgery; Technical note

    Directory of Open Access Journals (Sweden)

    Abdolkarim Rahmanian, Associate Professor of Neurosurgery

    2017-12-01

    Conclusion: The new suction tip permits easy and precise adjustment of suction power in microneurosirgical operations. Our scaled 3 and 4-hole suction tip is a simple and useful device for controlling the suction power during the microneurosurgeical procedures.

  11. Tipping Point

    Medline Plus

    Full Text Available ... death electrical fall furniture head injury product safety television tipover tv Watch the video in Adobe Flash ... tv tip-overs. The force of a large television falling from tipping furniture can be staggering. A ...

  12. Tipping Point

    Medline Plus

    Full Text Available ... and furniture, appliance and tv tip-overs. The force of a large television falling from tipping furniture ... 50 lb. TV falls with about the same force as child falling from the third story of ...

  13. Tipping Point

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    Full Text Available ... Tipping Point by CPSC Blogger September 22, 2009 appliance child Childproofing CPSC danger death electrical fall furniture ... about horrible accidents involving young children and furniture, appliance and tv tip-overs. The force of a ...

  14. Baryon resonances - a primary ρ→l+l- source in p+p and p+d at 4.9GeV

    International Nuclear Information System (INIS)

    Winckelmann, L.A.; Sorge, H.; Stoecker, H.; Greiner, W.

    1994-10-01

    Dilepton spectra for p+p and p+d reactions at 4.9 GeV are calculated. We consider electromagnetic bremsstrahlung also in inealstic reactions. N* and Δ* decays present the major contributions to the q and ω meson yields. Pion annihilation yields only ∼1.5% of all ρ's in p+d. The ρ mass spectrum is strongly distorted due to phase space effects, populating dominantly dilepton masses below 770 MeV. It is found that inclusive production cross sections of ρ, ω and η mesons in p+p are 3-4 times higher than the (measured) exclusive cross sections for pp+meson. This prediction could be checked by measuring the decays of ρ, ω and η mesons into photons. (orig.)

  15. Tips pentacene crystal alignment for improving performance of solution processed organic thin film transistors

    Science.gov (United States)

    He, Zhengran

    A newly-developed p-type organic semiconductor 6,13-bis (triisopropylsilylethynyl) pentacene (TIPS pentacene) demonstrates various advantages such as high mobility, air stability and solution processibility, but at the same time its application is restricted by major issues, such as crystal misorientation and performance variation of organic thin-film transistors (OTFTs). This dissertation demonstrates several different approaches to address these issues. As a result, both crystal orientation and areal coverage can be effectively improved, leading to an enhancement of average mobility and performance consistency of OTFTs. Chapter 1 presents an introduction and background of this dissertation. Chapter 2 explores the usage of inorganic silica nanoparticles to manipulate the morphology of TIPS pentacene thin films and the performance of solution-processed organic OTFTs. The resultant drop-cast films yield improved morphological uniformity at ~10% SiO2 loading, which also leads to a 3-fold increase in average mobility and nearly 4-times reduction in the ratio of standard deviation of mobility (μStdev) to average mobility (μAvg). The experimental results suggest that the SiO2 nanoparticles mostly aggregate at TIPS pentacene grain boundaries, and that 10% nanoparticle concentration effectively reduces the undesirable crystal misorientation without considerably compromising TIPS pentacene crystallinity. Chapter 3 discusses the utilization of air flow to effectively reduce the TIPS pentacene crystal anisotropy and enhance performance consistency in OTFTs. Under air-flow navigation (AFN), TIPS pentacene forms thin films with improved crystal orientation and increased areal coverage, which subsequently lead to a four-fold increase of average hole mobility and one order of magnitude enhancement in performance consistency. Chapter 4 investigates the critical roles of lateral and vertical phase separation in the performance of the next-generation organic and hybrid electronic

  16. Utilization of the inorganic exchangers ZrP and TiP in the treatment of industrial and radioactive wastes

    International Nuclear Information System (INIS)

    Manosso, Helena Cristina

    2001-01-01

    Nowadays, environmental preservation using technologies that do not attack it, generating non-toxic residues and reduced volumes, has been discussed. Hazardous effluents, containing metals, as chromium, have been poured in the rivers, degrading the water. Not different are the problems originated from some nuclear activities that generate wastes, as chemical research laboratories. Although those wastes are note poured in the environment, sometimes they are inadequately stored, what can cause serious accidents. To minimize this problem, those wastes must be treated by efficient techniques, as ion exchange. This method is easy of operating, separating and qualifying chemical species. Inorganic ion exchangers, in many cases, are the most indicated, since they present high chemical stability in oxidizing media, at high temperatures and at ionizing radiation. In this study, zirconium phosphate (ZrP) and titanium phosphate (TiP) have been chosen for the separation of chromium and cesium from wastes, analysed by the radioisotopes 51 Cr and 134 Cs, respectively. The inorganic ion exchangers were prepared to obtain the crystalline α-type, using silica-gel as support, to avoid column packing, that may occur due to the granulometry of the exchangers. Modifiers agents were used to improve the exchanger distribution on the support, increasing the contact surface and the interlayer distances. The exchangers were used in the H + and Na + forms. It was verified that the behavior of α-ZrP and α-TiP were similar, in both sorption and elution. The modifications in the exchangers provided an increase of 27% for 51 Cr sorption, related to that one without changes. The sorption percentage of Cr 3+ was 53.23% using ZrP-Si ion exchanger, and 83.31%, with ZrP-Si-HTMA-Na. For cesium, all the exchangers studied showed a sorption above 99% and an elution greater than 96% of the cesium retained. (author)

  17. Auditing predictive models : a case study in crop growth

    NARCIS (Netherlands)

    Metselaar, K.

    1999-01-01

    <p>Methods were developed to assess and quantify the predictive quality of simulation models, with the intent to contribute to evaluation of model studies by non-scientists. In a case study, two models of different complexity, LINTUL and SUCROS87, were used to predict yield of forage maize

  18. Compressive strength of dental composites photo-activated with different light tips

    International Nuclear Information System (INIS)

    Galvão, M R; Campos, E A; Rastelli, A N S; Andrade, M F; Caldas, S G F R; Calabrez-Filho, S; Bagnato, V S

    2013-01-01

    The aim of this study was to evaluate the compressive strength of microhybrid (Filtek™ Z250) and nanofilled (Filtek™ Supreme XT) composite resins photo-activated with two different light guide tips, fiber optic and polymer, coupled with one LED. The power density was 653 mW cm −2 when using the fiber optic light tip and 596 mW cm −2 with the polymer. After storage in distilled water at 37 ± 2 °C for seven days, the samples were subjected to mechanical testing of compressive strength in an EMIC universal mechanical testing machine with a load cell of 5 kN and speed of 0.5 mm min −1 . The statistical analysis was performed using ANOVA with a confidence interval of 95% and Tamhane’s test. The results showed that the mean values of compressive strength were not influenced by the different light tips (p > 0.05). However, a statistical difference was observed (p < 0.001) between the microhybrid composite resin photo-activated with the fiber optic light tip and the nanofilled composite resin. Based on these results, it can be concluded that microhybrid composite resin photo-activated with the fiber optic light tip showed better results than nanofilled, regardless of the tip used, and the type of the light tip did not influence the compressive strength of either composite. Thus, the presented results suggest that both the fiber optic and polymer light guide tips provide adequate compressive strength to be used to make restorations. However, the fiber optic light tip associated with microhybrid composite resin may be an interesting option for restorations mainly in posterior teeth. (paper)

  19. Tips for TIPS

    NARCIS (Netherlands)

    Cuijpers, C.F.

    2015-01-01

    The transjugular intrahepatic portosystemic shunt (TIPS) procedure is one of the most technically challenging procedures in interventional radiology. During the procedure, interventional radiologists (IRs) insert very thin and long instruments through a little incision in the patient’s neck. They

  20. CPAP Tips

    Science.gov (United States)

    ... now Try it free Find out why Close CPAP Tips from FDA USFoodandDrugAdmin Loading... Unsubscribe from USFoodandDrugAdmin? ... apnea and use a continuous positive airway pressure (CPAP) device when sleeping? Here are some tips from ...

  1. Results of the radiological survey at Kennedy Park, Money and Sidney Streets, Lodi, New Jersey (LJ062)

    International Nuclear Information System (INIS)

    Foley, R.D.; Cottrell, W.D.; Floyd, L.M.

    1989-07-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, Kennedy Park, Money and Sidney Streets, Lodi, New Jersey (LJ062), was conducted during 1986 and 1987. Results of the survey demonstrated radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions are typical of the type of material originating from the MCW site. 4 refs., 4 figs., 3 tabs

  2. Removal of Parathion from Aqueous Media Through p-tert-Butylcalix[4]arene Based Modified Silica

    Directory of Open Access Journals (Sweden)

    Sibghatullah Memon

    2013-12-01

    Full Text Available This study explores, adsorption efficiency of p-tert-butylcalix[4]arene based modified silica to remove parathion from aqueous environment. The adsorption parameters, i.e. pH, concentration of pesticide solution, contact time and adsorbent dosage were optimized, as 10, 1 mg L-1, 40 min and 0.04 g, respectively. Langmuir, Freundlich and Dubinin-Radushkevich (D-R isotherm models were used to evaluate the adsorption mechanism. Adsorption constants values of these models suggest that the adsorption of parathion is favorable and were found to be best fit with Freundlich isotherm. From the kinetic study it can be predicted that adsorption of parathion follows Ho and McKay model (pseudo-second order. Thermodynamic parameters, enthalpy (ΔH, entropy (ΔS and Gibbs free energy (ΔG have also been evaluated and were found as -132.25, 0.45, -4.14 Jmol-1, respectively.

  3. Investigation of p+, p- and P0 production in π+p interactions at 16 GeV/c and pp interactions at 24 GeV/c and quark model predictions

    International Nuclear Information System (INIS)

    Blobel, V.; Laven, H.; Boeckmann, K.; Heilmann, H.G.; Holt, K. von; Idschok, U.; Nussbaumer, H.; Roedel, R.

    1977-11-01

    Quasi- and total inclusive rho + , rho - and rho 0 cross sections have been studied, using data of a π + p and a pp bubble chamber experiment at 16 and 24 GeV/c, respectively. In pp collisions it is found that the total inclusive cross sections for rho + , rho - and rho - production are about equal. This equality also holds for the differential cross sections dsigma/dy*, all showing the characteristics of dominantly central production. In the π + p reactions the rho - are mainly produced centrally, whereas there are strong additional contributions in the beam fragmentation region for rho + and rho 0 mesons. In the central region, however, the cross sections for rho + , rho - and rho 0 production are almost equal within errors. All our findings agree with what is expected from quark model predictions. (orig.) [de

  4. Tipping Point

    Medline Plus

    Full Text Available ... OnSafety CPSC Stands for Safety The Tipping Point Home > 60 Seconds of Safety (Videos) > The Tipping Point ... 24 hours a day. For young children whose home is a playground, it’s the best way to ...

  5. Ranking prediction model using the competition record of Ladies Professional Golf Association players.

    Science.gov (United States)

    Chae, Jin Seok; Park, Jin; So, Wi-Young

    2017-07-28

    The purpose of this study was to suggest a ranking prediction model using the competition record of the Ladies Professional Golf Association (LPGA) players. The top 100 players on the tour money list from the 2013-2016 US Open were analyzed in this model. Stepwise regression analysis was conducted to examine the effect of performance and independent variables (i.e., driving accuracy, green in regulation, putts per round, driving distance, percentage of sand saves, par-3 average, par-4 average, par-5 average, birdies average, and eagle average) on dependent variables (i.e., scoring average, official money, top-10 finishes, winning percentage, and 60-strokes average). The following prediction model was suggested:Y (Scoring average) = 55.871 - 0.947 (Birdies average) + 4.576 (Par-4 average) - 0.028 (Green in regulation) - 0.012 (Percentage of sand saves) + 2.088 (Par-3 average) - 0.026 (Driving accuracy) - 0.017 (Driving distance) + 0.085 (Putts per round)Y (Official money) = 6628736.723 + 528557.907 (Birdies average) - 1831800.821 (Par-4 average) + 11681.739 (Green in regulation) + 6476.344 (Percentage of sand saves) - 688115.074 (Par-3 average) + 7375.971 (Driving accuracy)Y (Top-10 finish%) = 204.462 + 12.562 (Birdies average) - 47.745 (Par-4 average) + 1.633 (Green in regulation) - 5.151 (Putts per round) + 0.132 (Percentage of sand saves)Y (Winning percentage) = 49.949 + 3.191 (Birdies average) - 15.023 (Par-4 average) + 0.043 (Percentage of sand saves)Y (60-strokes average) = 217.649 + 13.978 (Birdies average) - 44.855 (Par-4 average) - 22.433 (Par-3 average) + 0.16 (Green in regulation)Scoring of the above five prediction models and the prediction of golf ranking in the 2016 Women's Golf Olympic competition in Rio revealed a significant correlation between the predicted and real ranking (r = 0.689, p ranking prediction model using LPGA data may help coaches and players to identify which players are likely to participate in Olympic and World competitions, based

  6. SYNTHESIS OF TETRA-p-PROPENYLTETRAESTERCALIX[4]ARENE AND TETRA-p-PROPENYLTETRACARBOXYLICACIDCALIX[4]ARENE FROM p-t-BUTYLPHENOL

    Directory of Open Access Journals (Sweden)

    Triana Kusumaningsih

    2010-06-01

    Full Text Available A research has been conducted to synthesize tetra-p-propenyltetraestercalix[4]arene and tetra-p-propenyltetracarboxylicacidcalix[4] arene using p-t-butylphenol as a starting material. The synthesis was carried out in following stages, i.e (1 synthesis of p-t-butylcalix[4]arene from p-t-butylphenol, (2 debutylation of p-t-butylcalix[4]arene, (3 tetraallilation of 25,26,27,28-tetrahydroxycalix[4]arene with NaH and allilbromida in dry tetrahydrofuran, (4 Claissen rearrangement of 25,26,27,28-tetrapropenyloxycalix[4]arene, (5 esterification of tetra-p-propenyltetrahydroxycalix[4]arene, (6 hydrolisis of tetra-p-propenyltetraestercalix[4]arene. The all structures of products were observed by means of melting point, FTIR, and 1H-NMR spectrometers. Tetra-p-propenyltetraestercalix[4]arene compound was obtained as yellow liquid product in 55.08% yield. Tetra-p-propenyltetracarboxylicacidcalix[4]arene compound was obtained as white solid product with the melting point 135-137 °C at decomposed and in 70.05% yield.   Keywords: calix[4]arene, Claissen rearrangement, esterification, hydrolisis

  7. Effect of Tip-Speed Constraints on the Optimized Design of a Wind Turbine

    Energy Technology Data Exchange (ETDEWEB)

    Dykes, K.; Resor, B.; Platt, A.; Guo, Y.; Ning, A.; King, R.; Parsons, T.; Petch, D.; Veers, P.

    2014-10-01

    This study investigates the effect of tip-velocity constraints on system levelized cost of energy (LCOE). The results indicate that a change in maximum tip speed from 80 to 100~m/s could produce a 32% decrease in gearbox weight (a 33% reduction in cost) which would result in an overall reduction of 1%-9% in system LCOE depending on the design approach. Three 100~m/s design cases were considered including a low tip-speed ratio/high-solidity rotor design, a high tip-speed ratio/ low-solidity rotor design, and finally a flexible blade design in which a high tip-speed ratio was used along with removing the tip deflection constraint on the rotor design. In all three cases, the significant reduction in gearbox weight caused by the higher tip-speed and lower overall gear ratio was counterbalanced by increased weights for the rotor and/or other drivetrain components and the tower. As a result, the increased costs of either the rotor or drivetrain components offset the overall reduction in turbine costs from down-sizing the gearbox. Other system costs were not significantly affected, whereas energy production was slightly reduced in the 100~m/s case low tip-speed ratio case and increased in the high tip-speed ratio case. This resulted in system cost of energy reductions moving from the 80~m/s design to the 100~m/s designs of 1.2% for the low tip-speed ratio, 4.6% for the high tip-speed ratio, and 9.5% for the final flexible case (the latter result is optimistic because the impact of deflection of the flexible blade on power production was not modeled). Overall, the results demonstrate that there is a trade-off in system design between the maximum tip velocity and the overall wind plant cost of energy, and there are many trade-offs within the overall system in designing a turbine for a high maximum tip velocity.

  8. Modeling the recovery of heat-treated Bacillus licheniformis Ad978 and Bacillus weihenstephanensis KBAB4 spores at suboptimal temperature and pH using growth limits.

    Science.gov (United States)

    Trunet, C; Mtimet, N; Mathot, A-G; Postollec, F; Leguerinel, I; Sohier, D; Couvert, O; Carlin, F; Coroller, L

    2015-01-01

    The apparent heat resistance of spores of Bacillus weihenstephanensis and Bacillus licheniformis was measured and expressed as the time to first decimal reduction (δ value) at a given recovery temperature and pH. Spores of B. weihenstephanensis were produced at 30°C and 12°C, and spores of B. licheniformis were produced at 45°C and 20°C. B. weihenstephanensis spores were then heat treated at 85°C, 90°C, and 95°C, and B. licheniformis spores were heat treated at 95°C, 100°C, and 105°C. Heat-treated spores were grown on nutrient agar at a range of temperatures (4°C to 40°C for B. weihenstephanensis and 15°C to 60°C for B. licheniformis) or a range of pHs (between pH 4.5 and pH 9.5 for both strains). The recovery temperature had a slight effect on the apparent heat resistance, except very near recovery boundaries. In contrast, a decrease in the recovery pH had a progressive impact on apparent heat resistance. A model describing the heat resistance and the ability to recover according to the sporulation temperature, temperature of treatment, and recovery temperature and pH was proposed. This model derived from secondary mathematical models for growth prediction. Previously published cardinal temperature and pH values were used as input parameters. The fitting of the model with apparent heat resistance data obtained for a wide range of spore treatment and recovery conditions was highly satisfactory. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

  9. CPAP Tips

    Medline Plus

    Full Text Available ... now Try it free Find out why Close CPAP Tips from FDA USFoodandDrugAdmin Loading... Unsubscribe from USFoodandDrugAdmin? ... apnea and use a continuous positive airway pressure (CPAP) device when sleeping? Here are some tips from ...

  10. Subtask 2.4 - Integration and Synthesis in Climate Change Predictive Modeling

    Energy Technology Data Exchange (ETDEWEB)

    Jaroslav Solc

    2009-06-01

    The Energy & Environmental Research Center (EERC) completed a brief evaluation of the existing status of predictive modeling to assess options for integration of our previous paleohydrologic reconstructions and their synthesis with current global climate scenarios. Results of our research indicate that short-term data series available from modern instrumental records are not sufficient to reconstruct past hydrologic events or predict future ones. On the contrary, reconstruction of paleoclimate phenomena provided credible information on past climate cycles and confirmed their integration in the context of regional climate history is possible. Similarly to ice cores and other paleo proxies, acquired data represent an objective, credible tool for model calibration and validation of currently observed trends. It remains a subject of future research whether further refinement of our results and synthesis with regional and global climate observations could contribute to improvement and credibility of climate predictions on a regional and global scale.

  11. Memory Binding Test Predicts Incident Amnestic Mild Cognitive Impairment.

    Science.gov (United States)

    Mowrey, Wenzhu B; Lipton, Richard B; Katz, Mindy J; Ramratan, Wendy S; Loewenstein, David A; Zimmerman, Molly E; Buschke, Herman

    2016-07-14

    The Memory Binding Test (MBT), previously known as Memory Capacity Test, has demonstrated discriminative validity for distinguishing persons with amnestic mild cognitive impairment (aMCI) and dementia from cognitively normal elderly. We aimed to assess the predictive validity of the MBT for incident aMCI. In a longitudinal, community-based study of adults aged 70+, we administered the MBT to 246 cognitively normal elderly adults at baseline and followed them annually. Based on previous work, a subtle reduction in memory binding at baseline was defined by a Total Items in the Paired (TIP) condition score of ≤22 on the MBT. Cox proportional hazards models were used to assess the predictive validity of the MBT for incident aMCI accounting for the effects of covariates. The hazard ratio of incident aMCI was also assessed for different prediction time windows ranging from 4 to 7 years of follow-up, separately. Among 246 controls who were cognitively normal at baseline, 48 developed incident aMCI during follow-up. A baseline MBT reduction was associated with an increased risk for developing incident aMCI (hazard ratio (HR) = 2.44, 95% confidence interval: 1.30-4.56, p = 0.005). When varying the prediction window from 4-7 years, the MBT reduction remained significant for predicting incident aMCI (HR range: 2.33-3.12, p: 0.0007-0.04). Persons with poor performance on the MBT are at significantly greater risk for developing incident aMCI. High hazard ratios up to seven years of follow-up suggest that the MBT is sensitive to early disease.

  12. ZBrush Professional Tips and Techniques

    CERN Document Server

    Gaboury, Paul

    2012-01-01

    Learn to work effectively and creatively with all versions of ZBrush! ZBrush is used by top artists in Hollywood to model and sculpt characters in such films as Avatar, Iron Man, and Pirates of the Caribbean. In addition, this amazing technology is also used in jewelry design, forensic science, aerospace, video games, toy creation, and the medical field. Written by Pixologic's in-house ZBrush expert Paul Gaboury, this full-color, beautifully illustrated guide provides you with the ultimate tips and tricks to maximize your use of all versions of ZBrush. Reveals numerous little-known tips and tr

  13. Tipping Point

    Medline Plus

    Full Text Available ... 60 Seconds of Safety (Videos) > The Tipping Point The Tipping Point by CPSC Blogger September 22, 2009 appliance child Childproofing CPSC danger death electrical fall furniture head injury product safety television tipover tv Watch the video in Adobe Flash ...

  14. Prediction of the chromatographic retention of acid-base compounds in pH buffered methanol-water mobile phases in gradient mode by a simplified model.

    Science.gov (United States)

    Andrés, Axel; Rosés, Martí; Bosch, Elisabeth

    2015-03-13

    Retention of ionizable analytes under gradient elution depends on the pH of the mobile phase, the pKa of the analyte and their evolution along the programmed gradient. In previous work, a model depending on two fitting parameters was recommended because of its very favorable relationship between accuracy and required experimental work. It was developed using acetonitrile as the organic modifier and involves pKa modeling by means of equations that take into account the acidic functional group of the compound (carboxylic acid, protonated amine, etc.). In this work, the two-parameter predicting model is tested and validated using methanol as the organic modifier of the mobile phase and several compounds of higher pharmaceutical relevance and structural complexity as testing analytes. The results have been quite good overall, showing that the predicting model is applicable to a wide variety of acid-base compounds using mobile phases prepared with acetonitrile or methanol. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Population inversion and gain calculations for 4p54d-4p55p and 4p55s - 4p55p Kr-like transitions in Y IV, Zr V, Nb VI and Mo VII

    International Nuclear Information System (INIS)

    Fournier, K.B.; Goldstein, W.H.; Stutman, D.; Finkenthal, M.; Soukhanovskii, V.; May, M.J.

    1999-01-01

    We present calculations of the quasi-steady state gain coefficient for the 4p 5 4d 1 P-4p 5 5p 1/2[1/2] 0 transition in Kr-like Y IV, Zr V, Nb VI and Mo VII ions. Gain coefficients which can lead to FUV-VUV (∝260 to 60 nm) lasing are found in all ions. Large gain coefficients are found for each ion at temperatures in excess of the ion's equilibrium temperature; realizing lasing in these systems will require a transient excitation mechanism. The density at which the maximal gain coefficient obtains increases for increasing ionization state. The 4p 5 5s 1/2[1/2] 1 -4p 5 5p 1/2[1/2] 0 and 4p 5 5s 3/2[3/2] 1 -4p 5 5p 1/2[1/2] 0 transitions also show population inversion and modest gain coefficients. Attractive features of these ions as potential lasents are the large ratio between the energy of the lasing transition and the excitation energy of the upper level of the lasing transition as well as the case with which they are produced in a low temperature, table-top scale plasma source. (orig.)

  16. Modelling microbial interactions and food structure in predictive microbiology

    NARCIS (Netherlands)

    Malakar, P.K.

    2002-01-01

    <p>Keywords: modelling, dynamic models, microbial interactions, diffusion, microgradients, colony growth, predictive microbiology.<p> Growth response of microorganisms in foods is a complex process. Innovations in food production and preservation techniques have resulted in adoption of

  17. Prediction of time-integrated activity coefficients in PRRT using simulated dynamic PET and a pharmacokinetic model.

    Science.gov (United States)

    Hardiansyah, Deni; Attarwala, Ali Asgar; Kletting, Peter; Mottaghy, Felix M; Glatting, Gerhard

    2017-10-01

    To investigate the accuracy of predicted time-integrated activity coefficients (TIACs) in peptide-receptor radionuclide therapy (PRRT) using simulated dynamic PET data and a physiologically based pharmacokinetic (PBPK) model. PBPK parameters were estimated using biokinetic data of 15 patients after injection of (152±15)MBq of 111 In-DTPAOC (total peptide amount (5.78±0.25)nmol). True mathematical phantoms of patients (MPPs) were the PBPK model with the estimated parameters. Dynamic PET measurements were simulated as being done after bolus injection of 150MBq 68 Ga-DOTATATE using the true MPPs. Dynamic PET scans around 35min p.i. (P 1 ), 4h p.i. (P 2 ) and the combination of P 1 and P 2 (P 3 ) were simulated. Each measurement was simulated with four frames of 5min each and 2 bed positions. PBPK parameters were fitted to the PET data to derive the PET-predicted MPPs. Therapy was simulated assuming an infusion of 5.1GBq of 90 Y-DOTATATE over 30min in both true and PET-predicted MPPs. TIACs of simulated therapy were calculated, true MPPs (true TIACs) and predicted MPPs (predicted TIACs) followed by the calculation of variabilities v. For P 1 and P 2 the population variabilities of kidneys, liver and spleen were acceptable (v10%). Treatment planning of PRRT based on dynamic PET data seems possible for the kidneys, liver and spleen using a PBPK model and patient specific information. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  18. Challenges in pKa Predictions for Proteins: The case of Asp213 in Human Proteinase 3

    Science.gov (United States)

    Hajjar, Eric; Dejaegere, Annick; Reuter, Nathalie

    2009-09-01

    Knowledge of the protonation states of the ionizable residues in an enzyme is a prerequisite to an accurate description of its structure and mechanism. In practice, the use of the inappropriate protonation state for an amino acid in a molecular modeling computation (e.g., molecular dynamics simulation) is likely to lead to unrealistic results. Although methods using solvers of the linearized Poisson-Boltzmann equation have proven to yield accurate pKa predictions, they bear a number of limitations. They are quite demanding in terms of computational power and are sensitive to representation of the charges and their position (force field and protein conformation). Moreover they depend on the choice of a dielectric constant for the protein interior. In this manuscript, we describe the difficulties met when trying to predict the protonation state of a buried amino acid, located in a protein for which very little biochemical data is available. Such a case is highly representative of the challenges faced in theoretical biology studies. Proteinase 3 (PR3) is an enzyme involved in proteolytic events associated with inflammation. It is a potential target in the development of new anti-inflammatory therapeutic strategies. We report the results of pKa predictions of the aspartic acid 213 of PR3 with a FDPB solver. We probed the influence of the choice of the dielectric constant for the protein interior ɛp and the benefits of conformational sampling by molecular dynamics (MD) on the pKa prediction of this carboxylate group. Using only the FDPB calculations, we could not conclude on the protonation state of Asp213. MD simulations confronted to knowledge of the ligand-binding and reaction mechanism led us to decide on a protonated form of this aspartic acid. We also demonstrate that the use of the wrong protonation state leads to an unreliable structural model for PR3. pKa prediction with a fast empirical method yielded a pKa of 8.4 for Asp213, which is in agreement with our

  19. Evaluation of Karl Storz CMAC TipTM Device Versus Traditional Airway Suction in a Cadaver Model

    Directory of Open Access Journals (Sweden)

    Demis N. Lipe

    2014-07-01

    Full Text Available Introduction: We compared the efficacy of Karl Storz CMAC TipTM with inline suction to CMAC with traditional suction device in cadaveric models simulating difficult airways, using media mimicking pulmonary edema and vomit. Methods: This was a prospective, cohort study in which we invited emergency medicine faculty and residents to participate. Each participant intubated 2 cadavers (one with simulated pulmonary edema and one with simulated vomit, using CMAC with inline suction and CMAC with traditional suction. Thirty emergency medicine providers performed 4 total intubations each in a crossover trial comparing the CMAC with inline suction and CMAC with traditional suction. Two intubations were performed with simulated vomit and two with simulated pulmonary edema. The primary outcome was time to successful intubation; and the secondary outcome was proportion of successful intubation. Results: The median time to successful intubation using the CMAC with inline suction versus traditional suction in the pulmonary edema group was 29s and 30s respectively (p=0.54. In the vomit simulation, the median time to successful intubation was 40s using the CMAC with inline suction and 41s using the CMAC with traditional suction (p=0.70. There were no significant differences in time to successful intubation between the 2 devices. Similarly, the proportions of successful intubation were also not statistically significant between the 2 devices. The proportions of successful intubations using the inline suction were 96.7% and 73.3%, for the pulmonary edema and vomit groups, respectively. Additionally using the handheld suction device, the proportions for the pulmonary edema and vomit group were 100% and 66.7%, respectively. Conclusion: CMAC with inline suction was no different than CMAC with traditional suction and was associated with no statistically significant differences in median time to intubation or proportion of successful intubations. [West J Emerg Med

  20. Results of the radiological survey at 10 Long Valley Road, Lodi, New Jersey (LJ055)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.; Carrier, R.F.

    1989-11-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 10 Long Valley Road, Lodi, New Jersey (LJ055), was conducted during 1985 and 1986. Results of the survey demonstrated no radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions were not significantly different from normal background levels in the northern New Jersey area. 4 refs., 5 figs., 3 tabs

  1. Results of the radiological survey at 24 Long Valley Road, Lodi, New Jersey (LJ048)

    International Nuclear Information System (INIS)

    Cottrell, W.D.; Floyd, L.M.; Francis, M.W.; Mynatt, J.O.

    1989-08-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monozite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 24 Long Valley Road, Lodi, New Jersey (LJ048), was conducted during 1985 and 1986. Results of the survey demonstrated radionuclide concentrations in excess of the DOE Formerly Utilized Sites Remedial Action Program criteria. The radionuclide distributions are typical of the type of material originating from the MCW site. 4 refs., 8 figs., 3 tabs

  2. Results of the radiological survey at 72 Sidney Stret, Lodi, New Jersey (LJ067)

    International Nuclear Information System (INIS)

    Foley, R.D.; Carrier, R.F.; Floyd, L.M.; Crutcher, J.W.

    1989-09-01

    Maywood Chemical Works (MCW) of Maywood, New jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residues used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 72 Sidney Street, Lodi, New Jersey (LJ067), was conducted during 1987. Results indicated concentrations of 232 Th slightly in excess of the DOE remedial action criterion for subsurface soil. This finding, coupled with the fact that adjacent properties have been designated by DOE for remedial action, and that the old Lodi Brook streambed is apparently beneath the property, suggests that it be considered for inclusion in the DOE remedial action program. 4 refs., 5 figs., 3 tabs

  3. Effect of tip geometry on photo-electron-emission from nanostructures.

    Science.gov (United States)

    Teki, Ranganath; Lu, Toh-Ming; Koratkar, Nikhil

    2009-03-01

    We show in this paper the strong effect of tip geometry on the photo-electron-emission behavior of nanostructured surfaces. To study the effect of tip geometry we compared the photo-emissivity of Ru and Pt nanorods with pyramidal shaped tips to that of carbon nanorods that display flat top (planar) tips. Flat top architectures gave no significant increase in the emission current, while nanostructures with pyramidal shaped tips showed 3-4 fold increase in photo-emission compared to a thin film of the same material. Pyramidal tip geometries increase the effective surface area that is exposed to the incident photon-flux thereby enhancing the photon-collection probability of the system. Such nano-structured surfaces show promise in a variety of device applications such as photo-detectors, photon counters and photo-multiplier tubes.

  4. Predictions for the Dirac C P -violating phase from sum rules

    Science.gov (United States)

    Delgadillo, Luis A.; Everett, Lisa L.; Ramos, Raymundo; Stuart, Alexander J.

    2018-05-01

    We explore the implications of recent results relating the Dirac C P -violating phase to predicted and measured leptonic mixing angles within a standard set of theoretical scenarios in which charged lepton corrections are responsible for generating a nonzero value of the reactor mixing angle. We employ a full set of leptonic sum rules as required by the unitarity of the lepton mixing matrix, which can be reduced to predictions for the observable mixing angles and the Dirac C P -violating phase in terms of model parameters. These sum rules are investigated within a given set of theoretical scenarios for the neutrino sector diagonalization matrix for several known classes of charged lepton corrections. The results provide explicit maps of the allowed model parameter space within each given scenario and assumed form of charged lepton perturbations.

  5. Kaplan turbine tip vortex cavitation - analysis and prevention

    Science.gov (United States)

    Motycak, L.; Skotak, A.; Kupcik, R.

    2012-11-01

    The work is focused on one type of Kaplan turbine runner cavitation - a tip vortex cavitation. For detailed description of the tip vortex, the CFD analysis is used. On the basis of this analysis it is possible to estimate the intensity of cavitating vortex core, danger of possible blade surface and runner chamber cavitation pitting. In the paper, the ways how to avoid the pitting effect of the tip vortex are described. In order to prevent the blade surface against pitting, the following possibilities as the change of geometry of the runner blade, dimension of tip clearance and finally the installation of the anti-cavitation lips are discussed. The knowledge of the shape and intensity of the tip vortex helps to design the anti-cavitation lips more sophistically. After all, the results of the model tests of the Kaplan runner with or without anti-cavitation lips and the results of the CFD analysis are compared.

  6. Twelve tips for "flipping" the classroom.

    Science.gov (United States)

    Moffett, Jennifer

    2015-04-01

    The flipped classroom is a pedagogical model in which the typical lecture and homework elements of a course are reversed. The following tips outline the steps involved in making a successful transition to a flipped classroom approach. The tips are based on the available literature alongside the author's experience of using the approach in a medical education setting. Flipping a classroom has a number of potential benefits, for example increased educator-student interaction, but must be planned and implemented carefully to support effective learning.

  7. Graded-index fiber tip optical tweezers: numerical simulation and trapping experiment.

    Science.gov (United States)

    Gong, Yuan; Ye, Ai-Yan; Wu, Yu; Rao, Yun-Jiang; Yao, Yao; Xiao, Song

    2013-07-01

    Optical fiber tweezers based on a graded-index multimode fiber (GIMMF) tip is proposed. Light propagation characteristics and gradient force distribution near the GIMMF tip are numerically investigated, which are further compared with that of optical fiber tips based on conventional single mode fibers. The simulated results indicated that by selecting optimal GIMMF length, the gradient force of the GIMMF tip tweezers is about 4 times higher than that of the SMF tip tweezers with a same shape. To prove the feasibility of such a new concept, optical trapping of yeast cells with a diameter of ~5 μm using the chemically-etched GIMMF tip is experimentally demonstrated and the trapping force is also calculated.

  8. Exposure to the Tips From Former Smokers Campaign Among Adolescents in the United States.

    Science.gov (United States)

    Zhao, Xiaoquan; Cai, Xiaomei

    2016-05-01

    Evaluation of the Tips from Former Smokers (Tips) campaign in the United States so far has focused exclusively on adult smokers. This study provides evidence on the level of exposure to Tips among adolescents in the United States, an important secondary audience for the campaign. Data came from the 2013 National Youth Tobacco Survey (N = 18 406). Exposure to Tips was measured by ad recall. Characteristics of adolescents reporting exposure versus no exposure were examined through a series of bivariate analysis linking exposure to smoking status, demographics, and important risk factors. Most adolescents in the United States (63%, 95% confidence interval [CI] = 60.6%, 65.3%) were exposed to at least one Tips ad. Current smokers (70.6%, 95% CI = 67.7%, 73.4%), noncurrent smokers (67.7%, 95% CI = 65.5%, 69.7%), and high-risk never-smokers (63.8%, 95% CI = 60.2%, 67.2%) reported greater exposure than low-risk never-smokers (60.7%, 95% CI = 57.8%, 63.5%; all P advertising from one or more sources; and have skipped classes in the past 30 days. Tips has significant reach among adolescents in the United States, particularly among those with smoking experience and those whose life environments include more pro-smoking influences. Close monitoring of the Tips' impact on this important population is needed. This study shows substantial adolescent awareness of the Tips campaign in the United States. This evidence has important implications for the comprehensive evaluation of the public health impact of Tips. So far research on Tips has focused almost entirely on adult smokers. Findings of this study suggest that the potential impact of Tips on adolescents, particularly those at high risk of smoking, should become an integral part of the evaluation research agenda. © The Author 2015. Published by Oxford University Press on behalf of the Society for Research on Nicotine and Tobacco. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  9. Comparative modeling and docking studies of p16ink4/Cyclin D1/Rb pathway genes in lung cancer revealed functionally interactive residue of RB1 and its functional partner E2F1

    Directory of Open Access Journals (Sweden)

    e Zahra Syeda Naqsh

    2013-01-01

    Full Text Available Abstract Background Lung cancer is the major cause of mortality worldwide. Major signalling pathways that could play significant role in lung cancer therapy include (1 Growth promoting pathways (Epidermal Growth Factor Receptor/Ras/ PhosphatidylInositol 3-Kinase (2 Growth inhibitory pathways (p53/Rb/P14ARF, STK11 (3 Apoptotic pathways (Bcl-2/Bax/Fas/FasL. Insilico strategy was implemented to solve the mystery behind selected lung cancer pathway by applying comparative modeling and molecular docking studies. Results YASARA [v 12.4.1] was utilized to predict structural models of P16-INK4 and RB1 genes using template 4ELJ-A and 1MX6-B respectively. WHAT CHECK evaluation tool demonstrated overall quality of predicted P16-INK4 and RB1 with Z-score of −0.132 and −0.007 respectively which showed a strong indication of reliable structure prediction. Protein-protein interactions were explored by utilizing STRING server, illustrated that CDK4 and E2F1 showed strong interaction with P16-INK4 and RB1 based on confidence score of 0.999 and 0.999 respectively. In order to facilitate a comprehensive understanding of the complex interactions between candidate genes with their functional interactors, GRAMM-X server was used. Protein-protein docking investigation of P16-INK4 revealed four ionic bonds illustrating Arg47, Arg80,Cys72 and Met1 residues as actively participating in interactions with CDK4 while docking results of RB1 showed four hydrogen bonds involving Glu864, Ser567, Asp36 and Arg861 residues which interact strongly with its respective functional interactor E2F1. Conclusion This research may provide a basis for understanding biological insights of P16-INK4 and RB1 proteins which will be helpful in future to design a suitable drug to inhibit the disease pathogenesis as we have determined the interacting amino acids which can be targeted in order to design a ligand in-vitro to propose a drug for clinical trials. Protein -protein docking of

  10. Methods for Cavitation Prediction on Tip-Modified Propellers in Ship Wake Fields

    DEFF Research Database (Denmark)

    Shin, Keun Woo; Regener, Pelle Bo; Andersen, Poul

    2015-01-01

    Unsteady cavitation simulations on a tip-modified propellerin behind-hull condition are made by both BoundaryElement Method (BEM) and Computational FluidDynamics (CFD).As the hull geometry typically is not disclosed to thepropeller designer and thus cannot be included in thesimulation, other meas...

  11. LLNL-G3Dv3: Global P wave tomography model for improved regional and teleseismic travel time prediction: LLNL-G3DV3---GLOBAL P WAVE TOMOGRAPHY

    Energy Technology Data Exchange (ETDEWEB)

    Simmons, N. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Myers, S. C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Johannesson, G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Matzel, E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2012-10-06

    [1] We develop a global-scale P wave velocity model (LLNL-G3Dv3) designed to accurately predict seismic travel times at regional and teleseismic distances simultaneously. The model provides a new image of Earth's interior, but the underlying practical purpose of the model is to provide enhanced seismic event location capabilities. The LLNL-G3Dv3 model is based on ∼2.8 millionP and Pnarrivals that are re-processed using our global multiple-event locator called Bayesloc. We construct LLNL-G3Dv3 within a spherical tessellation based framework, allowing for explicit representation of undulating and discontinuous layers including the crust and transition zone layers. Using a multiscale inversion technique, regional trends as well as fine details are captured where the data allow. LLNL-G3Dv3 exhibits large-scale structures including cratons and superplumes as well numerous complex details in the upper mantle including within the transition zone. Particularly, the model reveals new details of a vast network of subducted slabs trapped within the transition beneath much of Eurasia, including beneath the Tibetan Plateau. We demonstrate the impact of Bayesloc multiple-event location on the resulting tomographic images through comparison with images produced without the benefit of multiple-event constraints (single-event locations). We find that the multiple-event locations allow for better reconciliation of the large set of direct P phases recorded at 0–97° distance and yield a smoother and more continuous image relative to the single-event locations. Travel times predicted from a 3-D model are also found to be strongly influenced by the initial locations of the input data, even when an iterative inversion/relocation technique is employed.

  12. Numerical analysis of turbine blade tip treatments

    Science.gov (United States)

    Gopalaswamy, Nath S.; Whitaker, Kevin W.

    1992-01-01

    Three-dimensional solutions of the Navier-Stokes equations for a turbine blade with a turning angle of 180 degrees have been computed, including blade tip treatments involving cavities. The geometry approximates a preliminary design for the GGOT (Generic Gas Oxidizer Turbine). The data presented here will be compared with experimental data to be obtained from a linear cascade using original GGOT blades. Results have been computed for a blade with 1 percent clearance, based on chord, and three different cavity sizes. All tests were conducted at a Reynolds number of 4 x 10 exp 7. The grid contains 39,440 points with 10 spanwise planes in the tip clearance region of 5.008E-04 m. Streamline plots and velocity vectors together with velocity divergence plots reveal the general flow behavior in the clearance region. Blade tip temperature calculations suggest placement of a cavity close to the upstream side of the blade tip for reduction of overall blade tip temperature. The solutions do not account for the relative motion between the endwall and the turbine blade. The solutions obtained are generally consistent with previous work done in this area,

  13. Nanobits: customizable scanning probe tips

    DEFF Research Database (Denmark)

    Kumar, Rajendra; Shaik, Hassan Uddin; Sardan Sukas, Özlem

    2009-01-01

    We present here a proof-of-principle study of scanning probe tips defined by planar nanolithography and integrated with AFM probes using nanomanipulation. The so-called 'nanobits' are 2-4 mu m long and 120-150 nm thin flakes of Si3N4 or SiO2, fabricated by electron beam lithography and standard s...

  14. Four Medication Safety Tips for Older Adults

    Science.gov (United States)

    ... Products For Consumers Home For Consumers Consumer Updates 4 Medication Safety Tips for Older Adults Share Tweet ... you are experiencing could be due to medications. 4. Review Medications with Your Health Care Provider Ideally, ...

  15. Prediction of target genes for miR-140-5p in pulmonary arterial hypertension using bioinformatics methods.

    Science.gov (United States)

    Li, Fangwei; Shi, Wenhua; Wan, Yixin; Wang, Qingting; Feng, Wei; Yan, Xin; Wang, Jian; Chai, Limin; Zhang, Qianqian; Li, Manxiang

    2017-12-01

    The expression of microRNA (miR)-140-5p is known to be reduced in both pulmonary arterial hypertension (PAH) patients and monocrotaline-induced PAH models in rat. Identification of target genes for miR-140-5p with bioinformatics analysis may reveal new pathways and connections in PAH. This study aimed to explore downstream target genes and relevant signaling pathways regulated by miR-140-5p to provide theoretical evidences for further researches on role of miR-140-5p in PAH. Multiple downstream target genes and upstream transcription factors (TFs) of miR-140-5p were predicted in the analysis. Gene ontology (GO) enrichment analysis indicated that downstream target genes of miR-140-5p were enriched in many biological processes, such as biological regulation, signal transduction, response to chemical stimulus, stem cell proliferation, cell surface receptor signaling pathways. Kyoto Encyclopedia of Genes and Genome (KEGG) pathway analysis found that downstream target genes were mainly located in Notch, TGF-beta, PI3K/Akt, and Hippo signaling pathway. According to TF-miRNA-mRNA network, the important downstream target genes of miR-140-5p were PPI, TGF-betaR1, smad4, JAG1, ADAM10, FGF9, PDGFRA, VEGFA, LAMC1, TLR4, and CREB. After thoroughly reviewing published literature, we found that 23 target genes and seven signaling pathways were truly inhibited by miR-140-5p in various tissues or cells; most of these verified targets were in accordance with our present prediction. Other predicted targets still need further verification in vivo and in vitro .

  16. Liquid vs Solid Culture Medium to Evaluate Proportion and Time to Change in Management of Suspects of Tuberculosis-A Pragmatic Randomized Trial in Secondary and Tertiary Health Care Units in Brazil.

    Directory of Open Access Journals (Sweden)

    Adriana da Silva Rezende Moreira

    Full Text Available The use of liquid medium (MGIT960 for tuberculosis (TB diagnosis was recommended by WHO in 2007. However, there has been no evaluation of its effectiveness on clinically important outcomes.A pragmatic trial was carried out in a tertiary hospital and a secondary health care unit in Rio de Janeiro City, Brazil. Participants were 16 years or older, suspected of having TB. They were excluded if only cerebral spinal fluid or blood specimens were available for analysis. MGIT960 technique was compared with the Lowenstein-Jensen (LJ method for laboratory diagnosis of active TB. Primary outcome was the proportion of patients who had their initial medical management changed within 2 months after randomisation. Secondary outcomes were: mean time for changing the procedure, patient satisfaction with the overall treatment and adverse events. Data were analysed by intention-to-treat. Between April 2008 and September 2011, 693 patients were enrolled (348 to MGIT, 345 to LJ. Smear and culture results were positive for 10% and 15.7% of participants, respectively. Patients in the MGIT arm had their initial medical management changed more frequently than those in the LJ group (10.1% MGIT vs 3.8% LJ, RR 2.67 95% CI 1.44-.96, p = 0.002, NNT 16, 95% CI 10-39. Mean time for changing the initial procedure was greater in LJ group at both sites: 20.0 and 29.6 days in MGIT group and 52.2 and 64.3 in LJ group (MD 33.5, 95% CI 30.6-36.4, p = 0.0001. No other important differences were observed.This study suggests that opting for the MGIT960 system for TB diagnosis provides a promising case management model for improving the quality of care and control of TB.Controlled-Trials.com ISRCTN79888843.

  17. Large-space cluster model calculations for the 3He(3He,2p)4He and 3H(3H,2n)4He reactions

    International Nuclear Information System (INIS)

    Csoto, Attila; Langanke, Karlheinz

    1999-01-01

    The 3 He( 3 He, 2p) 4 He and 3 H( 3 H, 2n) 4 He reactions are studied in a microscopic cluster model. We search for resonances in the 3 He+ 3 He and 4 He + p + p channels using methods that treat the two- and three-body resonance asymptotics correctly. Our results show that the existence of a low-energy resonance or virtual state, which could influence the 7 Be and 8 B solar neutrino fluxes, is rather unlikely. Our calculated 3 He( 3 He, 2p) 4 He and 3 H( 3 H, 2n) 4 He cross sections are in a good general agreement with the experimental data

  18. Copula based prediction models: an application to an aortic regurgitation study

    Directory of Open Access Journals (Sweden)

    Shoukri Mohamed M

    2007-06-01

    Full Text Available Abstract Background: An important issue in prediction modeling of multivariate data is the measure of dependence structure. The use of Pearson's correlation as a dependence measure has several pitfalls and hence application of regression prediction models based on this correlation may not be an appropriate methodology. As an alternative, a copula based methodology for prediction modeling and an algorithm to simulate data are proposed. Methods: The method consists of introducing copulas as an alternative to the correlation coefficient commonly used as a measure of dependence. An algorithm based on the marginal distributions of random variables is applied to construct the Archimedean copulas. Monte Carlo simulations are carried out to replicate datasets, estimate prediction model parameters and validate them using Lin's concordance measure. Results: We have carried out a correlation-based regression analysis on data from 20 patients aged 17–82 years on pre-operative and post-operative ejection fractions after surgery and estimated the prediction model: Post-operative ejection fraction = - 0.0658 + 0.8403 (Pre-operative ejection fraction; p = 0.0008; 95% confidence interval of the slope coefficient (0.3998, 1.2808. From the exploratory data analysis, it is noted that both the pre-operative and post-operative ejection fractions measurements have slight departures from symmetry and are skewed to the left. It is also noted that the measurements tend to be widely spread and have shorter tails compared to normal distribution. Therefore predictions made from the correlation-based model corresponding to the pre-operative ejection fraction measurements in the lower range may not be accurate. Further it is found that the best approximated marginal distributions of pre-operative and post-operative ejection fractions (using q-q plots are gamma distributions. The copula based prediction model is estimated as: Post -operative ejection fraction = - 0.0933 + 0

  19. Technology Tips

    Science.gov (United States)

    Mathematics Teacher, 2004

    2004-01-01

    Some inexpensive or free ways that enable to capture and use images in work are mentioned. The first tip demonstrates the methods of using some of the built-in capabilities of the Macintosh and Windows-based PC operating systems, and the second tip describes methods to capture and create images using SnagIt.

  20. Copper Selenidophosphates Cu4P2Se6, Cu4P3Se4, Cu4P4Se3, and CuP2Se, Featuring Zero-, One-, and Two-Dimensional Anions.

    Science.gov (United States)

    Kuhn, Alexander; Schoop, Leslie M; Eger, Roland; Moudrakovski, Igor; Schwarzmüller, Stefan; Duppel, Viola; Kremer, Reinhard K; Oeckler, Oliver; Lotsch, Bettina V

    2016-08-15

    Five new compounds in the Cu/P/Se phase diagram have been synthesized, and their crystal structures have been determined. The crystal structures of these compounds comprise four previously unreported zero-, one-, and two-dimensional selenidophosphate anions containing low-valent phosphorus. In addition to two new modifications of Cu4P2Se6 featuring the well-known hexaselenidohypodiphosphate(IV) ion, there are three copper selenidophosphates with low-valent P: Cu4P3Se4 contains two different new anions, (i) a monomeric (zero-dimensional) selenidophosphate anion [P2Se4](4-) and (ii) a one-dimensional selenidophosphate anion [Formula: see text], which is related to the well-known gray-Se-like [Formula: see text] Zintl anion. Cu4P4Se3 contains one-dimensional [Formula: see text] polyanions, whereas CuP2Se contains the 2D selenidophosphate [Formula: see text] polyanion. It consists of charge-neutral CuP2Se layers separated by a van der Waals gap which is very rare for a Zintl-type phase. Hence, besides black P, CuP2Se constitutes a new possible source of 2D oxidized phosphorus containing layers for intercalation or exfoliation experiments. Additionally, the electronic structures and some fundamental physical properties of the new compounds are reported. All compounds are semiconducting with indirect band gaps of the orders of around 1 eV. The phases reported here add to the structural diversity of chalcogenido phosphates. The structural variety of this family of compounds may translate into a variety of tunable physical properties.

  1. Modulating p56Lck in T-Cells by a Chimeric Peptide Comprising Two Functionally Different Motifs of Tip from Herpesvirus saimiri

    Directory of Open Access Journals (Sweden)

    Jean-Paul Vernot

    2015-01-01

    Full Text Available The Lck interacting protein Tip of Herpesvirus saimiri is responsible for T-cell transformation both in vitro and in vivo. Here we designed the chimeric peptide hTip-CSKH, comprising the Lck specific interacting motif CSKH of Tip and its hydrophobic transmembrane sequence (hTip, the latter as a vector targeting lipid rafts. We found that hTip-CSKH can induce a fivefold increase in proliferation of human and Aotus sp. T-cells. Costimulation with PMA did not enhance this proliferation rate, suggesting that hTip-CSKH is sufficient and independent of further PKC stimulation. We also found that human Lck phosphorylation was increased earlier after stimulation when T-cells were incubated previously with hTip-CSKH, supporting a strong signalling and proliferative effect of the chimeric peptide. Additionally, Lck downstream signalling was evident with hTip-CSKH but not with control peptides. Importantly, hTip-CSKH could be identified in heavy lipid rafts membrane fractions, a compartment where important T-cell signalling molecules (LAT, Ras, and Lck are present during T-cell activation. Interestingly, hTip-CSKH was inhibitory to Jurkat cells, in total agreement with the different signalling pathways and activation requirements of this leukemic cell line. These results provide the basis for the development of new compounds capable of modulating therapeutic targets present in lipid rafts.

  2. Modulating p56Lck in T-Cells by a Chimeric Peptide Comprising Two Functionally Different Motifs of Tip from Herpesvirus saimiri.

    Science.gov (United States)

    Vernot, Jean-Paul; Perdomo-Arciniegas, Ana María; Pérez-Quintero, Luis Alberto; Martínez, Diego Fernando

    2015-01-01

    The Lck interacting protein Tip of Herpesvirus saimiri is responsible for T-cell transformation both in vitro and in vivo. Here we designed the chimeric peptide hTip-CSKH, comprising the Lck specific interacting motif CSKH of Tip and its hydrophobic transmembrane sequence (hTip), the latter as a vector targeting lipid rafts. We found that hTip-CSKH can induce a fivefold increase in proliferation of human and Aotus sp. T-cells. Costimulation with PMA did not enhance this proliferation rate, suggesting that hTip-CSKH is sufficient and independent of further PKC stimulation. We also found that human Lck phosphorylation was increased earlier after stimulation when T-cells were incubated previously with hTip-CSKH, supporting a strong signalling and proliferative effect of the chimeric peptide. Additionally, Lck downstream signalling was evident with hTip-CSKH but not with control peptides. Importantly, hTip-CSKH could be identified in heavy lipid rafts membrane fractions, a compartment where important T-cell signalling molecules (LAT, Ras, and Lck) are present during T-cell activation. Interestingly, hTip-CSKH was inhibitory to Jurkat cells, in total agreement with the different signalling pathways and activation requirements of this leukemic cell line. These results provide the basis for the development of new compounds capable of modulating therapeutic targets present in lipid rafts.

  3. Model Predictive Control for Smart Energy Systems

    DEFF Research Database (Denmark)

    Halvgaard, Rasmus

    pumps, heat tanks, electrical vehicle battery charging/discharging, wind farms, power plants). 2.Embed forecasting methodologies for the weather (e.g. temperature, solar radiation), the electricity consumption, and the electricity price in a predictive control system. 3.Develop optimization algorithms....... Chapter 3 introduces Model Predictive Control (MPC) including state estimation, filtering and prediction for linear models. Chapter 4 simulates the models from Chapter 2 with the certainty equivalent MPC from Chapter 3. An economic MPC minimizes the costs of consumption based on real electricity prices...... that determined the flexibility of the units. A predictive control system easily handles constraints, e.g. limitations in power consumption, and predicts the future behavior of a unit by integrating predictions of electricity prices, consumption, and weather variables. The simulations demonstrate the expected...

  4. Effects of irradiation on physicochemical and sensory qualities of fermented shoot tip of sweet potato

    International Nuclear Information System (INIS)

    Cui Li; Liu Chunquan; Li Dajing; Song Jiangfeng; Jiang Ning; Liu Chunju; Wu Haihong; Zhu Danyu

    2011-01-01

    The effect of irradiation on sensory quality, physicochemical and functional prosperities of fermented shoot tips of sweet potatoes were studied. The results showed that total content of free amino acids in fermented shoot tips of sweet potato were not influenced at 4 kGy irradiation, but increased at 6 kGy. Total content of organic acids in shoot tips were not influenced by 2 ∼ 6 kGy of irradiation. The total viable cells of the tips was reduced from 7.35 to 4.67 log CFU/g at 2 kGy irradiation, and no growth of total viable cells was observed at 4 and 6 kGy irradiated fermented shoot tips. It is recommended that 4 kGy was the endurance irradiation dose for fermented shoot tips of sweet potato to ensure the maximum retention of taste quality and health-relevant functionality. (authors)

  5. Aerodynamic performance of winglets covering the tip gap inlet in a turbine cascade

    International Nuclear Information System (INIS)

    Lee, Sang Woo; Kim, Seon Ung; Kim, Kyoung Hoon

    2012-01-01

    Highlights: ► We test aerodynamics of PS and LEPS winglets for three winglet widths. ► PS winglet reduces tip leakage loss but increases loss in the passage vortex region. ► Mass-averaged loss reductions by PS and LEPS winglets are marginal. ► The loss reductions are much smaller than that by a cavity squealer tip. - Abstract: The aerodynamic performance of two different kinds of winglets covering the tip gap inlet of a plane tip, a “pressure-side” (PS) winglet and a “leading-edge and pressure-side” (LEPS) winglet, has been investigated in a turbine cascade. For a tip gap height-to-chord ratio of h/c = 2.0%, their width-to-pitch ratio is changed to be w/p = 2.64, 5.28, and 10.55%. The PS winglet reduces aerodynamic loss in the tip leakage vortex region as well as in an area downstream of the winglet-pressure surface corner, whereas it increases aerodynamic loss in the central area of the passage vortex region. The additional leading-edge winglet portion of the LEPS winglet reduces aerodynamic loss considerably on the casing wall side of the passage vortex region but delivers a noticeable aerodynamic loss increase on its mid-span side. These local trends are deepened with increasing w/p. However, the mass-averaged aerodynamic loss reductions by installing the PS and LEPS winglets in comparison with the baseline no winglet data are only marginal even for w/p = 10.55% and found much smaller than that by employing a cavity squealer tip.

  6. Dsl1p, Tip20p, and the novel Dsl3(Sec39) protein are required for the stability of the Q/t-SNARE complex at the endoplasmic reticulum in yeast

    DEFF Research Database (Denmark)

    Kraynack, Bryan A; Chan, Angela; Rosenthal, Eva Helga

    2005-01-01

    The "Dsl1p complex" in Saccharomyces cerevisiae, consisting of Dsl1p and Tip20p, is involved in Golgi-ER retrograde transport and it is functionally conserved from yeast to mammalian cells. To further characterize this complex, we analyzed the function of Dsl3p, a protein that interacts with Dsl1p...... in yeast two hybrids screens. DSL3, recently identified in a genome wide analysis of essential genes as SEC39, encodes a cytosolic protein of 82 kDa that is peripherally associated with membranes derived from the ER. There is strong genetic interaction between DSL3 and other factors required for Golgi...

  7. pDeep: Predicting MS/MS Spectra of Peptides with Deep Learning.

    Science.gov (United States)

    Zhou, Xie-Xuan; Zeng, Wen-Feng; Chi, Hao; Luo, Chunjie; Liu, Chao; Zhan, Jianfeng; He, Si-Min; Zhang, Zhifei

    2017-12-05

    In tandem mass spectrometry (MS/MS)-based proteomics, search engines rely on comparison between an experimental MS/MS spectrum and the theoretical spectra of the candidate peptides. Hence, accurate prediction of the theoretical spectra of peptides appears to be particularly important. Here, we present pDeep, a deep neural network-based model for the spectrum prediction of peptides. Using the bidirectional long short-term memory (BiLSTM), pDeep can predict higher-energy collisional dissociation, electron-transfer dissociation, and electron-transfer and higher-energy collision dissociation MS/MS spectra of peptides with >0.9 median Pearson correlation coefficients. Further, we showed that intermediate layer of the neural network could reveal physicochemical properties of amino acids, for example the similarities of fragmentation behaviors between amino acids. We also showed the potential of pDeep to distinguish extremely similar peptides (peptides that contain isobaric amino acids, for example, GG = N, AG = Q, or even I = L), which were very difficult to distinguish using traditional search engines.

  8. A burnout prediction model based around char morphology

    Energy Technology Data Exchange (ETDEWEB)

    T. Wu; E. Lester; M. Cloke [University of Nottingham, Nottingham (United Kingdom). Nottingham Energy and Fuel Centre

    2005-07-01

    Poor burnout in a coal-fired power plant has marked penalties in the form of reduced energy efficiency and elevated waste material that can not be utilized. The prediction of coal combustion behaviour in a furnace is of great significance in providing valuable information not only for process optimization but also for coal buyers in the international market. Coal combustion models have been developed that can make predictions about burnout behaviour and burnout potential. Most of these kinetic models require standard parameters such as volatile content, particle size and assumed char porosity in order to make a burnout prediction. This paper presents a new model called the Char Burnout Model (ChB) that also uses detailed information about char morphology in its prediction. The model can use data input from one of two sources. Both sources are derived from image analysis techniques. The first from individual analysis and characterization of real char types using an automated program. The second from predicted char types based on data collected during the automated image analysis of coal particles. Modelling results were compared with a different carbon burnout kinetic model and burnout data from re-firing the chars in a drop tube furnace operating at 1300{sup o}C, 5% oxygen across several residence times. An improved agreement between ChB model and DTF experimental data proved that the inclusion of char morphology in combustion models can improve model predictions. 27 refs., 4 figs., 4 tabs.

  9. Study of p-4He Total Reaction cross section using Glauber and Modified Glauber Models

    International Nuclear Information System (INIS)

    Tag El Din, I.M.A.; Taha, M.M.; Hassan, S.S.A.

    2012-01-01

    The total nuclear reaction cross-section for p - 4 He in the energy range from 25 to 1000 MeV is calculated within Glauber and modified Glauber models. The modified Glauber model is introduced via both Coulomb trajectory of the projectile and calculation of the effective radius of interaction. The effects of density dependent total cross-section and phase variation of nucleon-nucleon scattering amplitude are studied. It is pointed out that the phase variation of the nucleon-nucleon amplitude plays a significant role in describing σR at E p 2 at e = e0 = 0 and γ=2fm 2 at e = e0 = 0.17fm -3 .

  10. Developing hybrid approaches to predict pKa values of ionizable groups

    Science.gov (United States)

    Witham, Shawn; Talley, Kemper; Wang, Lin; Zhang, Zhe; Sarkar, Subhra; Gao, Daquan; Yang, Wei

    2011-01-01

    Accurate predictions of pKa values of titratable groups require taking into account all relevant processes associated with the ionization/deionization. Frequently, however, the ionization does not involve significant structural changes and the dominating effects are purely electrostatic in origin allowing accurate predictions to be made based on the electrostatic energy difference between ionized and neutral forms alone using a static structure. On another hand, if the change of the charge state is accompanied by a structural reorganization of the target protein, then the relevant conformational changes have to be taken into account in the pKa calculations. Here we report a hybrid approach that first predicts the titratable groups, which ionization is expected to cause conformational changes, termed “problematic” residues, then applies a special protocol on them, while the rest of the pKa’s are predicted with rigid backbone approach as implemented in multi-conformation continuum electrostatics (MCCE) method. The backbone representative conformations for “problematic” groups are generated with either molecular dynamics simulations with charged and uncharged amino acid or with ab-initio local segment modeling. The corresponding ensembles are then used to calculate the pKa of the “problematic” residues and then the results are averaged. PMID:21744395

  11. Integration of thermal digital 3D model and a MASW (Multichannel Analysis of Surface Wave) as a means of improving monitoring of spoil tip stability

    Science.gov (United States)

    Lewińska, Paulina; Matuła, Rafał; Dyczko, Artur

    2018-01-01

    Spoil tips are anthropogenic terrain structures built of leftover (coal) mining materials. They consist mostly of slate and sandstone or mudstone but also include coal and highly explosive coal dust. Coal soil tip fires cause an irreversible degradation to the environment. Government organizations notice the potential problem of spoil tip hazard and are looking for ways of fast monitoring of their temperature and inside structure. In order to test new monitoring methods an experimental was performed in the area of spoil tip of Lubelski Węgiel "Bogdanka" S.A. A survey consisted of creating a 3D discreet thermal model. This was done in order to look for potential fire areas. MASW (Multichannel analysis of surface wave) was done in order to find potential voids within the body of a tip. Existing data was digitalized and a 3D model of object's outside and inside was produced. This article provides results of this survey and informs about advantages of such an approach.

  12. Integration of thermal digital 3D model and a MASW (Multichannel Analysis of Surface Wave as a means of improving monitoring of spoil tip stability

    Directory of Open Access Journals (Sweden)

    Lewińska Paulina

    2018-01-01

    Full Text Available Spoil tips are anthropogenic terrain structures built of leftover (coal mining materials. They consist mostly of slate and sandstone or mudstone but also include coal and highly explosive coal dust. Coal soil tip fires cause an irreversible degradation to the environment. Government organizations notice the potential problem of spoil tip hazard and are looking for ways of fast monitoring of their temperature and inside structure. In order to test new monitoring methods an experimental was performed in the area of spoil tip of Lubelski Węgiel „Bogdanka” S.A. A survey consisted of creating a 3D discreet thermal model. This was done in order to look for potential fire areas. MASW (Multichannel analysis of surface wave was done in order to find potential voids within the body of a tip. Existing data was digitalized and a 3D model of object’s outside and inside was produced. This article provides results of this survey and informs about advantages of such an approach.

  13. 4s24p3--4s4p4 and 4s24p3--4s2fp25s transitions in Y VII, Zr VIII, Nb IX, and MoX

    International Nuclear Information System (INIS)

    Reader, J.; Acquista, N.

    1981-01-01

    Spectra of ionized Y, Zr, Nb, and Mo have been observed in sliding-spark and triggered-spark discharges on 10.7-m normal- and grazing-incidence spectrographs at the National Bureau of Standards in Washington, D. C. From these observations the 4s 2 4p 3 --4s4p 4 transitions in Y VII, Zr VIII, Nb IX, and Mo X have been identified. The 4s 2 4p 3 --4s 2 4p 2 5s transitions in Y VII-Mo X, previously identified by Rahimullah et al. [Phys. Scr. 14, 221--223 (1976); 18, 96--106 (1978)], have been confirmed. In Y VII the 4s 2 4p 3 --4s 2 4p 2 6s and 4s4p 4 --4p 5 transition also have been found. The parameters obtained from least-squares fits to the energy levels are compared with Hartree--Fock calculations. Preliminary values of the ionization energies have been determined as 110.02 +- 0.15 eV for Y VII, 133.7 +- 0.5 eV for Zr VIII, 159.2 +- 0.7 eV for Nb IX, and 186.4 +- 1.2 eV for Mo X

  14. Top 10 "Secret Writing Tips" to Boost Your Productivity: Part 2

    Science.gov (United States)

    Berk, Ronald A.

    2011-01-01

    This is the sequel and companion piece to the first five tips published in this journal's winter 2010 issue. To recap, the first five tips are: (1) Write Everyday; (2) Write Everywhere; (3) Conquer Distractions and Interruptions; (4) Write for a Niche; and (5) Write with a Purpose. Now, in this article, the other five tips are discussed: (6) Write…

  15. Theoretical modelling of tip effects in the pushing manipulation of C60 on the Si(001) surface

    International Nuclear Information System (INIS)

    Martsinovich, N; Kantorovich, L

    2008-01-01

    We present the results of our theoretical studies on the repulsive (pushing) manipulation of a C 60 molecule on the Si(001) surface with several scanning tunnelling microscopy tips. We show that, for silicon tips, tip-C 60 bonds are formed even with tips that do not initially have dangling bonds, and this tip-C 60 interaction drives the manipulation of the molecule. The details of the atomic structure of the tip and its position relative to the molecule do not have a significant effect on the mechanism and the sequence of adsorption configurations during the pushing manipulation of C 60 along the trough, where the trough itself provides a guiding effect. The pushing manipulation is thus a very robust process that occurs largely independently of the tip structure. On the other hand, the pushing manipulation across an Si-Si dimer row into the neighbouring trough proceeds in a more complex way, with tip deformation and detachment more likely to occur. We demonstrate the role of tip deformation and tip-molecule bond rearrangement in the continuous manipulation of the molecule. Finally, we calculate and analyse the forces acting on the tip during manipulation and identify characteristic patterns

  16. Identification of tipping elements of the Indian Summer Monsoon using climate network approach

    Science.gov (United States)

    Stolbova, Veronika; Surovyatkina, Elena; Kurths, Jurgen

    2015-04-01

    Spatial and temporal variability of the rainfall is a vital question for more than one billion of people inhabiting the Indian subcontinent. Indian Summer Monsoon (ISM) rainfall is crucial for India's economy, social welfare, and environment and large efforts are being put into predicting the Indian Summer Monsoon. For predictability of the ISM, it is crucial to identify tipping elements - regions over the Indian subcontinent which play a key role in the spatial organization of the Indian monsoon system. Here, we use climate network approach for identification of such tipping elements of the ISM. First, we build climate networks of the extreme rainfall, surface air temperature and pressure over the Indian subcontinent for pre-monsoon, monsoon and post-monsoon seasons. We construct network of extreme rainfall event using observational satellite data from 1998 to 2012 from the Tropical Rainfall Measuring Mission (TRMM 3B42V7) and reanalysis gridded daily rainfall data for a time period of 57 years (1951-2007) (Asian Precipitation Highly Resolved Observational Data Integration Towards the Evaluation of Water Resources, APHRODITE). For the network of surface air temperature and pressure fields, we use re-analysis data provided by the National Center for Environmental Prediction and National Center for Atmospheric Research (NCEP/NCAR). Second, we filter out data by coarse-graining the network through network measures, and identify tipping regions of the ISM. Finally, we compare obtained results of the network analysis with surface wind fields and show that occurrence of the tipping elements is mostly caused by monsoonal wind circulation, migration of the Intertropical Convergence Zone (ITCZ) and Westerlies. We conclude that climate network approach enables to select the most informative regions for the ISM, providing realistic description of the ISM dynamics with fewer data, and also help to identify tipping regions of the ISM. Obtained tipping elements deserve a

  17. Organotin(IV Derivatives of 2-Acetylpyridine-N(4-Phenylthiosemicarbazone, HAP4P, and 2-Hydroxyacetophenone-N(4-Phenylthiosemicarbazone, H2DAP4P: Crystal and Molecular Structure of [SnMe2(DAP4P] and [SnBu2(DAP4P

    Directory of Open Access Journals (Sweden)

    Sousa Gerimário F. de

    2001-01-01

    Full Text Available The reactions of 2-acetylpyridine-N(4-phenylthiosemicarbazone, HAP4P, and 2-hydroxyacetophenone-N(4-phenylthiosemicarbazone, H2DAP4P, with R4-mSnXm (m = 2, 3; R = Me, nBu, Ph and X = Cl, Br led to the formation of hexa- and penta-coordinated organotin(IV complexes, which were studied by microanalysis, IR, ¹H-NMR and Mössbauer spectroscopies. The molecular structures of [SnMe2(DAP4P] and [Sn nBu2(DAP4P] were determined by single-crystal X-ray diffraction studies. In the compounds [SnClMe2(AP4P] and [SnBrMe2(AP4P], the deprotonated ligand AP4P- is N,N,S-bonded to the Sn(IV atoms, which exhibit strongly distorted octahedral coordination. The structures of [SnMe2(DAP4P] and [Sn nBu2(DAP4P] revealed that the DAP4P2- anion acts as a O,N,S-tridentate ligand. In these cases, the Sn(IV atoms adopt a strongly distorted trigonal bipyramidal configuration where the azomethine N and the two C atoms are on the equatorial plane while the O and the S atoms occupy the axial positions.

  18. External validation of models predicting the individual risk of metachronous peritoneal carcinomatosis from colon and rectal cancer.

    Science.gov (United States)

    Segelman, J; Akre, O; Gustafsson, U O; Bottai, M; Martling, A

    2016-04-01

    To externally validate previously published predictive models of the risk of developing metachronous peritoneal carcinomatosis (PC) after resection of nonmetastatic colon or rectal cancer and to update the predictive model for colon cancer by adding new prognostic predictors. Data from all patients with Stage I-III colorectal cancer identified from a population-based database in Stockholm between 2008 and 2010 were used. We assessed the concordance between the predicted and observed probabilities of PC and utilized proportional-hazard regression to update the predictive model for colon cancer. When applied to the new validation dataset (n = 2011), the colon and rectal cancer risk-score models predicted metachronous PC with a concordance index of 79% and 67%, respectively. After adding the subclasses of pT3 and pT4 stage and mucinous tumour to the colon cancer model, the concordance index increased to 82%. In validation of external and recent cohorts, the predictive accuracy was strong in colon cancer and moderate in rectal cancer patients. The model can be used to identify high-risk patients for planned second-look laparoscopy/laparotomy for possible subsequent cytoreductive surgery and hyperthermic intraperitoneal chemotherapy. Colorectal Disease © 2015 The Association of Coloproctology of Great Britain and Ireland.

  19. Meta-tips for lab-on-fiber optrodes

    Science.gov (United States)

    Principe, M.; Consales, M.; Micco, A.; Crescitelli, A.; Castaldi, G.; Esposito, E.; La Ferrara, V.; Cutolo, A.; Galdi, V.; Cusano, A.

    2016-05-01

    We realize the first optical-fiber "meta-tip" that integrates a metasurface on the tip of an optical fiber. In our proposed configuration a Babinet-inverted plasmonic metasurface is fabricated by patterning (via focused-ion-beam) an array of rectangular aperture nanoantennas in a thin gold film. Via spatial modulation of the nanoantennas size, we properly tune their resonances so as to impress abrupt arbitrary phase variations in the transmitted field wavefront. As a proof-of-principle, we fabricate and characterize several prototypes implementing in the near-infrared the beam-steering with various angles. We also explore the limit case where surface waves are excited, and its capability to work as refractive index sensors. Notably, its sensitivity overwhelms that of the corresponding gradient-free plasmonic array, thus paving the way to the use of metasurfaces for label-free chemical and biological sensing. Our experimental results, in fairly good agreement with numerical predictions, demonstrate the practical feasibility of the meta-tip concept, and set the stage for the integration of metasurfaces, and their exceptional capabilities to manipulate light, in fiber-optics technological platforms, within the emerging "lab-on-fiber" paradigm.

  20. A computational model predicting disruption of blood vessel development.

    Directory of Open Access Journals (Sweden)

    Nicole Kleinstreuer

    2013-04-01

    Full Text Available Vascular development is a complex process regulated by dynamic biological networks that vary in topology and state across different tissues and developmental stages. Signals regulating de novo blood vessel formation (vasculogenesis and remodeling (angiogenesis come from a variety of biological pathways linked to endothelial cell (EC behavior, extracellular matrix (ECM remodeling and the local generation of chemokines and growth factors. Simulating these interactions at a systems level requires sufficient biological detail about the relevant molecular pathways and associated cellular behaviors, and tractable computational models that offset mathematical and biological complexity. Here, we describe a novel multicellular agent-based model of vasculogenesis using the CompuCell3D (http://www.compucell3d.org/ modeling environment supplemented with semi-automatic knowledgebase creation. The model incorporates vascular endothelial growth factor signals, pro- and anti-angiogenic inflammatory chemokine signals, and the plasminogen activating system of enzymes and proteases linked to ECM interactions, to simulate nascent EC organization, growth and remodeling. The model was shown to recapitulate stereotypical capillary plexus formation and structural emergence of non-coded cellular behaviors, such as a heterologous bridging phenomenon linking endothelial tip cells together during formation of polygonal endothelial cords. Molecular targets in the computational model were mapped to signatures of vascular disruption derived from in vitro chemical profiling using the EPA's ToxCast high-throughput screening (HTS dataset. Simulating the HTS data with the cell-agent based model of vascular development predicted adverse effects of a reference anti-angiogenic thalidomide analog, 5HPP-33, on in vitro angiogenesis with respect to both concentration-response and morphological consequences. These findings support the utility of cell agent-based models for simulating a

  1. PhenoTips: patient phenotyping software for clinical and research use.

    Science.gov (United States)

    Girdea, Marta; Dumitriu, Sergiu; Fiume, Marc; Bowdin, Sarah; Boycott, Kym M; Chénier, Sébastien; Chitayat, David; Faghfoury, Hanna; Meyn, M Stephen; Ray, Peter N; So, Joyce; Stavropoulos, Dimitri J; Brudno, Michael

    2013-08-01

    We have developed PhenoTips: open source software for collecting and analyzing phenotypic information for patients with genetic disorders. Our software combines an easy-to-use interface, compatible with any device that runs a Web browser, with a standardized database back end. The PhenoTips' user interface closely mirrors clinician workflows so as to facilitate the recording of observations made during the patient encounter. Collected data include demographics, medical history, family history, physical and laboratory measurements, physical findings, and additional notes. Phenotypic information is represented using the Human Phenotype Ontology; however, the complexity of the ontology is hidden behind a user interface, which combines simple selection of common phenotypes with error-tolerant, predictive search of the entire ontology. PhenoTips supports accurate diagnosis by analyzing the entered data, then suggesting additional clinical investigations and providing Online Mendelian Inheritance in Man (OMIM) links to likely disorders. By collecting, classifying, and analyzing phenotypic information during the patient encounter, PhenoTips allows for streamlining of clinic workflow, efficient data entry, improved diagnosis, standardization of collected patient phenotypes, and sharing of anonymized patient phenotype data for the study of rare disorders. Our source code and a demo version of PhenoTips are available at http://phenotips.org. © 2013 WILEY PERIODICALS, INC.

  2. P4 ATPases: Flippases in Health and Disease

    Directory of Open Access Journals (Sweden)

    Coen C. Paulusma

    2013-04-01

    Full Text Available P4 ATPases catalyze the translocation of phospholipids from the exoplasmic to the cytosolic leaflet of biological membranes, a process termed “lipid flipping”. Accumulating evidence obtained in lower eukaryotes points to an important role for P4 ATPases in vesicular protein trafficking. The human genome encodes fourteen P4 ATPases (fifteen in mouse of which the cellular and physiological functions are slowly emerging. Thus far, deficiencies of at least two P4 ATPases, ATP8B1 and ATP8A2, are the cause of severe human disease. However, various mouse models and in vitro studies are contributing to our understanding of the cellular and physiological functions of P4-ATPases. This review summarizes current knowledge on the basic function of these phospholipid translocating proteins, their proposed action in intracellular vesicle transport and their physiological role.

  3. Proton MR spectroscopy of the brain in patients treated with tips

    Energy Technology Data Exchange (ETDEWEB)

    Hamuro, M.; Nakamura, K.; Matsuoka, T.; Kaminou, T.; Higashida, M.; Yamada, R. [Osaka City Univ. Medical School (Japan). Dept. of Radiology

    2000-11-01

    To evaluate the utility of proton MR spectroscopy (MRS) for the early detection of hepatic encephalopathy (HE) after transjugular intrahepatic portosystemic shunting (TIPS). Material and Methods: Six patients, who underwent TIPS for treatment of portal hypertension, were examined by MRS 1 week before and 1 week after TIPS. They were simultaneously clinically examined for number connection test, blood NH{sub 3} level, liver function test and the Fischer ratio. Result: Three of 6 patients showed overt HE 1 to 5 weeks after TIPS and the other 3 patients did not show overt HE. The overt HE group showed the larger ratio of the amounts of glutamine and glutamate/myoinositol (Glx/MI) than that of non-overt HE group (p<0.05). Conclusion: The Glx/MI ratio estimated by MRS was useful for early detection of HE after TIPS.

  4. Proton MR spectroscopy of the brain in patients treated with tips

    International Nuclear Information System (INIS)

    Hamuro, M.; Nakamura, K.; Matsuoka, T.; Kaminou, T.; Higashida, M.; Yamada, R.

    2000-01-01

    To evaluate the utility of proton MR spectroscopy (MRS) for the early detection of hepatic encephalopathy (HE) after transjugular intrahepatic portosystemic shunting (TIPS). Material and Methods: Six patients, who underwent TIPS for treatment of portal hypertension, were examined by MRS 1 week before and 1 week after TIPS. They were simultaneously clinically examined for number connection test, blood NH 3 level, liver function test and the Fischer ratio. Result: Three of 6 patients showed overt HE 1 to 5 weeks after TIPS and the other 3 patients did not show overt HE. The overt HE group showed the larger ratio of the amounts of glutamine and glutamate/myoinositol (Glx/MI) than that of non-overt HE group (p<0.05). Conclusion: The Glx/MI ratio estimated by MRS was useful for early detection of HE after TIPS

  5. Bootstrap prediction and Bayesian prediction under misspecified models

    OpenAIRE

    Fushiki, Tadayoshi

    2005-01-01

    We consider a statistical prediction problem under misspecified models. In a sense, Bayesian prediction is an optimal prediction method when an assumed model is true. Bootstrap prediction is obtained by applying Breiman's `bagging' method to a plug-in prediction. Bootstrap prediction can be considered to be an approximation to the Bayesian prediction under the assumption that the model is true. However, in applications, there are frequently deviations from the assumed model. In this paper, bo...

  6. Refined tip preparation by electrochemical etching and ultrahigh vacuum treatment to obtain atomically sharp tips for scanning tunneling microscope and atomic force microscope

    International Nuclear Information System (INIS)

    Hagedorn, Till; Ouali, Mehdi El; Paul, William; Oliver, David; Miyahara, Yoichi; Gruetter, Peter

    2011-01-01

    A modification of the common electrochemical etching setup is presented. The described method reproducibly yields sharp tungsten tips for usage in the scanning tunneling microscope and tuning fork atomic force microscope. In situ treatment under ultrahigh vacuum (p ≤10 -10 mbar) conditions for cleaning and fine sharpening with minimal blunting is described. The structure of the microscopic apex of these tips is atomically resolved with field ion microscopy and cross checked with field emission.

  7. Tipping point of a conifer forest ecosystem under severe drought

    Science.gov (United States)

    Huang, Kaicheng; Yi, Chuixiang; Wu, Donghai; Zhou, Tao; Zhao, Xiang; Blanford, William J.; Wei, Suhua; Wu, Hao; Ling, Du; Li, Zheng

    2015-02-01

    Drought-induced tree mortality has recently received considerable attention. Questions have arisen over the necessary intensity and duration thresholds of droughts that are sufficient to trigger rapid forest declines. The values of such tipping points leading to forest declines due to drought are presently unknown. In this study, we have evaluated the potential relationship between the level of tree growth and concurrent drought conditions with data of the tree growth-related ring width index (RWI) of the two dominant conifer species (Pinus edulis and Pinus ponderosa) in the Southwestern United States (SWUS) and the meteorological drought-related standardized precipitation evapotranspiration index (SPEI). In this effort, we determined the binned averages of RWI and the 11 month SPEI within the month of July within each bin of 30 of RWI in the range of 0-3000. We found a significant correlation between the binned averages of RWI and SPEI at the regional-scale under dryer conditions. The tipping point of forest declines to drought is predicted by the regression model as SPEItp = -1.64 and RWItp = 0, that is, persistence of the water deficit (11 month) with intensity of -1.64 leading to negligible growth for the conifer species. When climate conditions are wetter, the correlation between the binned averages of RWI and SPEI is weaker which we believe is most likely due to soil water and atmospheric moisture levels no longer being the dominant factor limiting tree growth. We also illustrate a potential application of the derived tipping point (SPEItp = -1.64) through an examination of the 2002 extreme drought event in the SWUS conifer forest regions. Distinguished differences in remote-sensing based NDVI anomalies were found between the two regions partitioned by the derived tipping point.

  8. Tipping point of a conifer forest ecosystem under severe drought

    International Nuclear Information System (INIS)

    Huang, Kaicheng; Zhou, Tao; Wu, Hao; Ling, Du; Li, Zheng; Yi, Chuixiang; Blanford, William J; Wei, Suhua; Wu, Donghai; Zhao, Xiang

    2015-01-01

    Drought-induced tree mortality has recently received considerable attention. Questions have arisen over the necessary intensity and duration thresholds of droughts that are sufficient to trigger rapid forest declines. The values of such tipping points leading to forest declines due to drought are presently unknown. In this study, we have evaluated the potential relationship between the level of tree growth and concurrent drought conditions with data of the tree growth-related ring width index (RWI) of the two dominant conifer species (Pinus edulis and Pinus ponderosa) in the Southwestern United States (SWUS) and the meteorological drought-related standardized precipitation evapotranspiration index (SPEI). In this effort, we determined the binned averages of RWI and the 11 month SPEI within the month of July within each bin of 30 of RWI in the range of 0–3000. We found a significant correlation between the binned averages of RWI and SPEI at the regional-scale under dryer conditions. The tipping point of forest declines to drought is predicted by the regression model as SPEI tp  = −1.64 and RWI tp  = 0, that is, persistence of the water deficit (11 month) with intensity of −1.64 leading to negligible growth for the conifer species. When climate conditions are wetter, the correlation between the binned averages of RWI and SPEI is weaker which we believe is most likely due to soil water and atmospheric moisture levels no longer being the dominant factor limiting tree growth. We also illustrate a potential application of the derived tipping point (SPEI tp  = −1.64) through an examination of the 2002 extreme drought event in the SWUS conifer forest regions. Distinguished differences in remote-sensing based NDVI anomalies were found between the two regions partitioned by the derived tipping point. (letter)

  9. NH3 and NH4+ permeability in aquaporin-expressing Xenopus oocytes

    DEFF Research Database (Denmark)

    Holm, Lars M.; Jahn, Thomas Paul; Møller, Anders Laurell Blom

    2005-01-01

    We have shown recently, in a yeast expression system, that some aquaporins are permeable to ammonia. In the present study, we expressed the mammalian aquaporins AQP8, AQQP9, AQP3, AQP1 and a plant aquaporin TIP2;1 in Xenopus oocytes to study the transport of ammonia (NH3) and ammonium (NH4+) under...... inwards currents carried by NH4+. This conductivity increased as a sigmoid function of external [NH3]: for AQP8 at a bath pH (pH(e)) of 6.5, the conductance was abolished, at pH(e) 7.4 it was half maximal and at pH(e) 7.8 it saturated. NY4+ influx was associated with oocyte swelling. In comparison, native...... oocytes as well as AQP1 and tip2;1-expressing oocytes showed small currents that were associated with small and even negative volume changes. We conclude that AQP8, AQP9, AQP3, and TIP2;1, apart from being water channels, also support significant fluxes of NH3. These aquaporins could support NH4...

  10. [Application of decision curve on evaluation of MRI predictive model for early assessing pathological complete response to neoadjuvant therapy in breast cancer].

    Science.gov (United States)

    He, Y J; Li, X T; Fan, Z Q; Li, Y L; Cao, K; Sun, Y S; Ouyang, T

    2018-01-23

    Objective: To construct a dynamic enhanced MR based predictive model for early assessing pathological complete response (pCR) to neoadjuvant therapy in breast cancer, and to evaluate the clinical benefit of the model by using decision curve. Methods: From December 2005 to December 2007, 170 patients with breast cancer treated with neoadjuvant therapy were identified and their MR images before neoadjuvant therapy and at the end of the first cycle of neoadjuvant therapy were collected. Logistic regression model was used to detect independent factors for predicting pCR and construct the predictive model accordingly, then receiver operating characteristic (ROC) curve and decision curve were used to evaluate the predictive model. Results: ΔArea(max) and Δslope(max) were independent predictive factors for pCR, OR =0.942 (95% CI : 0.918-0.967) and 0.961 (95% CI : 0.940-0.987), respectively. The area under ROC curve (AUC) for the constructed model was 0.886 (95% CI : 0.820-0.951). Decision curve showed that in the range of the threshold probability above 0.4, the predictive model presented increased net benefit as the threshold probability increased. Conclusions: The constructed predictive model for pCR is of potential clinical value, with an AUC>0.85. Meanwhile, decision curve analysis indicates the constructed predictive model has net benefit from 3 to 8 percent in the likely range of probability threshold from 80% to 90%.

  11. Multiparametric 3T MRI for the prediction of pathological downgrading after radical prostatectomy in patients with biopsy-proven Gleason score 3 + 4 prostate cancer

    Energy Technology Data Exchange (ETDEWEB)

    Gondo, Tatsuo [Memorial Sloan-Kettering Cancer Center, Urology Service, Department of Surgery, New York, NY (United States); Tokyo Medical University, Department of Urology, Tokyo (Japan); Hricak, Hedvig; Sala, Evis; Vargas, Hebert Alberto [Memorial Sloan-Kettering Cancer Center, Department of Radiology, New York, NY (United States); Zheng, Junting; Moskowitz, Chaya S. [Memorial Sloan-Kettering Cancer Center, Department of Epidemiology and Biostatistics, New York, NY (United States); Bernstein, Melanie; Eastham, James A. [Memorial Sloan-Kettering Cancer Center, Urology Service, Department of Surgery, New York, NY (United States)

    2014-12-15

    The aim of this study was to assess the diagnostic performance of pre-treatment 3-Tesla (3T) multiparametric magnetic resonance imaging (mpMRI) for predicting Gleason score (GS) downgrading after radical prostatectomy (RP) in patients with GS 3 + 4 prostate cancer (PCa) on biopsy. We retrospectively reviewed 304 patients with biopsy-proven GS 3 + 4 PCa who underwent mpMRI before RP. On T2-weighted imaging and three mpMRI combinations (T2-weighted imaging + diffusion-weighted imaging [DWI], T2-weighted imaging + dynamic contrast-enhanced-MRI [DCE-MRI], and T2-weighted imaging + DWI + DCE-MRI), two radiologists (R1/R2) scored the presence of a dominant tumour using a 5-point Likert scale (1 = definitely absent to 5 = definitely present). Diagnostic performance in identifying downgrading was evaluated via areas under the curves (AUCs). Predictive accuracies of multivariate models were calculated. In predicting downgrading, T2-weighted imaging + DWI (AUC = 0.89/0.85 for R1/R2) performed significantly better than T2-weighted imaging alone (AUC = 0.72/0.73; p < 0.001/p = 0.02 for R1/R2), while T2-weighted imaging + DWI + DCE-MRI (AUC = 0.89/0.84 for R1/R2) performed no better than T2-weighted imaging + DWI (p = 0.48/p > 0.99 for R1/R2). On multivariate analysis, the clinical + mpMRI model incorporating T2-weighted imaging + DWI (AUC = 0.92/0.88 for R1/R2) predicted downgrading significantly better than the clinical model (AUC = 0.73; p < 0.001 for R1/R2). mpMRI improves the ability to identify a subgroup of patients with Gleason 3 + 4 PCa on biopsy who are candidates for active surveillance. DCE-MRI (compared to T2 + DWI) offered no additional benefit to the prediction of downgrading. (orig.)

  12. Phase diagram of ZnCr2pA12-2pS(Se)4 and Zn1-pCdpCr2S(Se)4

    International Nuclear Information System (INIS)

    Afif, K.; Benyoussef, A.; Hamedoun, M.; Hourmatallah, A.

    1999-06-01

    We compute the phase diagram of the nonmetallic compounds ZnCr2 p A1 2-2p S(Se) 4 (I[S,Se]) and Zn 1-p Cd p Cr 2 S(Se) 4 (II[S,Se]). We consider the bond-diluted Ising model on the spinel B site (S.B.S.) lattice with competitive exchange interactions, i.e. the ferromagnetic exchange interaction J 1 between nearest neighbours (n.n.) and the antiferromagnetic superexchange interaction J 2 between next-nearest neighbours' (n.n.n.) (and/or the more distant superexchange interactions J i (i > 1). Dilution and competition are found to be responsible for the spill glass phase and the percolation behaviour. (author)

  13. Numerical investigation of different tip shapes for wind turbine blades. Aerodynamic and aeroacoustic aspects

    Energy Technology Data Exchange (ETDEWEB)

    Aagaard Madsen, H.; Fuglsang, P.

    1996-12-01

    The aerodynamic optimization of the tip region is discussed and it is concluded that in principle there is no main difference to the optimization problem of the rest of the blade except that the performance of the aerodynamic models as, e.g., the blade element momentum theory (BEM) is more uncertain in this region due to the complex, three dimensional flow field. It is shown that an optimization of an entire blade in general leads to a slender tip with a chord decreasing to zero at the blade tip. Finally, the influence on the blade aerodynamics from minor changes of the planform in the tip region is illustrated. Two common aeroacoustic models are reviewed. The aerodynamic input parameters to both models are strength of the tip vortex and the length of the separated flow bubble formed by the tip vortex at the trailing edge. In the original aeroacoustic models these two parameters are calculated from empirical relations based on different experiments, e.g., using flow visualization. In the present work the two parameters was compared with the results of a CFD calculation of the flow around a rectangular shaped tip. The principal influence of sweep of the tip axis has also been investigated from detailed CFD simulations. It is found that sweeping the leading edge towards the trailing edge results in a stronger flow separation at moderate and high angles of attack compared to, when the trailing edge is swept towards the leading edge. This can have a considerable influence on the total loading on the blade. Similar tendencies have been found in full scale experiments. At the end of the report the application of the results from the present study are discussed for practical tip design. As the tip noise is linked to the strength of the tip vortex and the extension of the separation region these two parameters should be reduced in order to lower the tip noise. (Abstract Truncated)

  14. Centrifugal compressor tip clearance and impeller flow

    Energy Technology Data Exchange (ETDEWEB)

    Jaatinen-Varri, Ahti; Tiainen, Jonna; Turunen-Saaresti, Teemu; Gronman, Aki; Ameli, Alireza; Backman, Jari [Laboratory of Fluid Dynamics, LUT School of Energy Systems, Lappeenranta University of Technology, Lappeenranta (Finland); Engeda, Abraham [Turbomachinery Laboratory, Dept. of Mechanical Engineering, Michigan State University, East Lansing (United States)

    2016-11-15

    Compressors consume a considerable portion of the electricity used in the industrial sector. Hence, improvements in compressor efficiency lead to energy savings and reduce environmental impacts. The efficiency of an unshrouded centrifugal compressor suffers from leakage flow over the blade tips. The effect of tip leakage flow on the passage flow differs between the full and splitter blade passages. In this study, the differences in the flow fields between the full and splitter blade passages were studied numerically in detail. An industrial high-speed compressor with a design pressure ratio of 1.78 was modelled. Numerical studies were conducted with six different tip clearances and three different diffuser widths. The results show that increasing tip clearance considerably increases the reversed flow into the impeller with an unpinched diffuser. The reversed flow then partly mixes into the flow in the same blade passage it entered the impeller and the rest migrates over the blade, mixing with the tip clearance flow. Furthermore, as the reversed and clearance flow mix into the wake, the wake is weakened. As pinch reduces both the reversed flow and clearance flow, the passage wakes are stronger with pinches. However, the pinch is beneficial as the losses at the impeller outlet decrease.

  15. Centrifugal compressor tip clearance and impeller flow

    International Nuclear Information System (INIS)

    Jaatinen-Varri, Ahti; Tiainen, Jonna; Turunen-Saaresti, Teemu; Gronman, Aki; Ameli, Alireza; Backman, Jari; Engeda, Abraham

    2016-01-01

    Compressors consume a considerable portion of the electricity used in the industrial sector. Hence, improvements in compressor efficiency lead to energy savings and reduce environmental impacts. The efficiency of an unshrouded centrifugal compressor suffers from leakage flow over the blade tips. The effect of tip leakage flow on the passage flow differs between the full and splitter blade passages. In this study, the differences in the flow fields between the full and splitter blade passages were studied numerically in detail. An industrial high-speed compressor with a design pressure ratio of 1.78 was modelled. Numerical studies were conducted with six different tip clearances and three different diffuser widths. The results show that increasing tip clearance considerably increases the reversed flow into the impeller with an unpinched diffuser. The reversed flow then partly mixes into the flow in the same blade passage it entered the impeller and the rest migrates over the blade, mixing with the tip clearance flow. Furthermore, as the reversed and clearance flow mix into the wake, the wake is weakened. As pinch reduces both the reversed flow and clearance flow, the passage wakes are stronger with pinches. However, the pinch is beneficial as the losses at the impeller outlet decrease

  16. Results of the radiological survey at 9 Redstone Lane, Lodi, New Jersey (LJ069)

    International Nuclear Information System (INIS)

    Foley, R.D.; Carrier, R.F.

    1989-07-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process waste and residues associated with the production and refining of thorium and thorium compounds from monozite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Areas residents used the sandlike waste from this thorium extraction process mixed with teas and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigate radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 9 Redstone Lane, Lodi, New Jersey (LJ069), was conducted during 1987. Measurements at the private property located at 9 Redstone Lane indicate slightly elevated gamma exposure rates in association with cinder-like material observed in logging holes. These elevated levels result from naturally occurring radioactivity present in such substances as ashes and cinders. They are not related to the deposit of residues from processing operations at the MCW site. All other radiological findings conform to the guidelines established by the DOE for the Maywood, New Jersey, area remedial action plan. 4 refs., 3 figs., 3 tabs

  17. Aerodynamic performance of winglets covering the tip gap inlet in a turbine cascade

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sang Woo, E-mail: swlee@kumoh.ac.kr [Department of Mechanical Engineering, Kumoh National Institute of Technology, 1 Yangho-dong, Gumi, Gyeongbuk 730-701 (Korea, Republic of); Kim, Seon Ung; Kim, Kyoung Hoon [Department of Mechanical Engineering, Kumoh National Institute of Technology, 1 Yangho-dong, Gumi, Gyeongbuk 730-701 (Korea, Republic of)

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer We test aerodynamics of PS and LEPS winglets for three winglet widths. Black-Right-Pointing-Pointer PS winglet reduces tip leakage loss but increases loss in the passage vortex region. Black-Right-Pointing-Pointer Mass-averaged loss reductions by PS and LEPS winglets are marginal. Black-Right-Pointing-Pointer The loss reductions are much smaller than that by a cavity squealer tip. - Abstract: The aerodynamic performance of two different kinds of winglets covering the tip gap inlet of a plane tip, a 'pressure-side' (PS) winglet and a 'leading-edge and pressure-side' (LEPS) winglet, has been investigated in a turbine cascade. For a tip gap height-to-chord ratio of h/c = 2.0%, their width-to-pitch ratio is changed to be w/p = 2.64, 5.28, and 10.55%. The PS winglet reduces aerodynamic loss in the tip leakage vortex region as well as in an area downstream of the winglet-pressure surface corner, whereas it increases aerodynamic loss in the central area of the passage vortex region. The additional leading-edge winglet portion of the LEPS winglet reduces aerodynamic loss considerably on the casing wall side of the passage vortex region but delivers a noticeable aerodynamic loss increase on its mid-span side. These local trends are deepened with increasing w/p. However, the mass-averaged aerodynamic loss reductions by installing the PS and LEPS winglets in comparison with the baseline no winglet data are only marginal even for w/p = 10.55% and found much smaller than that by employing a cavity squealer tip.

  18. A molecular model for the differential activation of STAT3 and STAT6 by the herpesviral oncoprotein tip.

    Directory of Open Access Journals (Sweden)

    Eman Dey Mazumder

    Full Text Available Constitutive STAT signaling provides growth promoting signals in many forms of malignancy. We performed molecular modeling and molecular dynamics studies of the interaction between the regulatory Src homology 2 (SH2 domains of STAT3 and 6 with phosphorylated peptides of the herpesviral oncoprotein Tip, which facilitates Src kinase mediated STAT-activation and T cell proliferation. The studies give insight into the ligand binding specificity of the STAT SH2 domains and provide the first model for the differential activation of STAT3 or STAT6 by two distinct regions of the viral Tip protein. The biological relevance of the modeled interactions was then confirmed by activation studies using corresponding recombinant oncoproteins, and finally by respective recombinant viruses. The functional data give experimental validation of the molecular dynamics study, and provide evidence for the involvement of STAT6 in the herpesvirus induced T cell proliferation.

  19. AFM tip characterization by using FFT filtered images of step structures

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Yongda, E-mail: yanyongda@hit.edu.cn [Key Laboratory of Micro-systems and Micro-structures Manufacturing of Ministry of Education, Harbin Institute of Technology, Harbin, Heilongjiang 150001 (China); Center For Precision Engineering, Harbin Institute of Technology, Harbin, Heilongjiang 150001 (China); Xue, Bo [Key Laboratory of Micro-systems and Micro-structures Manufacturing of Ministry of Education, Harbin Institute of Technology, Harbin, Heilongjiang 150001 (China); Center For Precision Engineering, Harbin Institute of Technology, Harbin, Heilongjiang 150001 (China); Hu, Zhenjiang; Zhao, Xuesen [Center For Precision Engineering, Harbin Institute of Technology, Harbin, Heilongjiang 150001 (China)

    2016-01-15

    The measurement resolution of an atomic force microscope (AFM) is largely dependent on the radius of the tip. Meanwhile, when using AFM to study nanoscale surface properties, the value of the tip radius is needed in calculations. As such, estimation of the tip radius is important for analyzing results taken using an AFM. In this study, a geometrical model created by scanning a step structure with an AFM tip was developed. The tip was assumed to have a hemispherical cone shape. Profiles simulated by tips with different scanning radii were calculated by fast Fourier transform (FFT). By analyzing the influence of tip radius variation on the spectra of simulated profiles, it was found that low-frequency harmonics were more susceptible, and that the relationship between the tip radius and the low-frequency harmonic amplitude of the step structure varied monotonically. Based on this regularity, we developed a new method to characterize the radius of the hemispherical tip. The tip radii estimated with this approach were comparable to the results obtained using scanning electron microscope imaging and blind reconstruction methods. - Highlights: • The AFM tips with different radii were simulated to scan a nano-step structure. • The spectra of the simulation scans under different radii were analyzed. • The functions of tip radius and harmonic amplitude were used for evaluating tip. • The proposed method has been validated by SEM imaging and blind reconstruction.

  20. In Candida albicans hyphae, Sec2p is physically associated with SEC2 mRNA on secretory vesicles.

    Science.gov (United States)

    Caballero-Lima, David; Hautbergue, Guillaume M; Wilson, Stuart A; Sudbery, Peter E

    2014-11-01

    Candida albicans hyphae grow in a highly polarized fashion from their tips. This polarized growth requires the continuous delivery of secretory vesicles to the tip region. Vesicle delivery depends on Sec2p, the Guanine Exchange Factor (GEF) for the Rab GTPase Sec4p. GTP bound Sec4p is required for the transit of secretory vesicles from the trans-Golgi to sites of polarized growth. We previously showed that phosphorylation of Sec2p at residue S584 was necessary for Sec2p to support hyphal, but not yeast growth. Here we show that on secretory vesicles SEC2 mRNA is physically associated with Sec2p. Moreover, we show that the phosphorylation of S584 allows SEC2 mRNA to dissociate from Sec2p and we speculate that this is necessary for Sec2p function and/or translation. During hyphal extension, the growing tip may be separated from the nucleus by up to 15 μm. Transport of SEC2 mRNA on secretory vesicles to the tip localizes SEC2 translation to tip allowing a sufficient accumulation of this key protein at the site of polarized growth. © 2014 The Authors. Molecular Microbiology published by John Wiley & Sons Ltd.

  1. Combined 30-degree bevel up and down technique against 0-degree phaco tip for phacoemulsification surgery of hard cataracts

    Directory of Open Access Journals (Sweden)

    Joshi RS

    2017-06-01

    Full Text Available Rajesh Subhash Joshi, Sonal Jayant Muley Department of Ophthalmology, Vasantrao Naik Government Medical College, Yavatmal, Maharashtra, India Purpose: To evaluate the effective phaco time (EPT, cumulative dissipated energy (CDE and nucleus emulsification time (NET as phaco parameters with 0- and 30-degree phaco tip. Patients and methods: This prospective, interventional and observational case series included 294 patients scheduled for cataract removal by phacoemulsification technique. Patients with nuclear cataracts of grade 4 and 5 nuclear opalescence of Lens Opacities Classification System III were included in the study. Patients were consecutively allocated to phaco chop technique with 0-degree (0-degree group, n=147 and combined bevel up and down position using 30-degree phaco tip (combined bevel up/down group, n=147. The 0-degree group had phacoemulsification with 0-degree phaco tip, while the 30-degree group had chopping of the nucleus with bevel down phaco tip and emulsification of nuclear fragments was accomplished with bevel up tip. EPT, CDE, NET and intraoperative complications were noted and compared between the groups using analysis of variance. Results: Average EPT, CDE and NET were lower in the 30-degree group than in the 0-degree group. However, no statistically significant difference was found in EPT (P=0.0733, CDE (P=0.0663 and NET (P=0.0633 between the two groups. No serious intraoperative complications were noted. The anterior chamber was maintained throughout the procedure in both groups. No patients had wound burn and miosis during the procedure. None of the patients developed bullous keratopathy, uveitis and cystoid macular edema during the follow-up period. Conclusion: Combined bevel up and down 30-degree tip can yield effective hard nucleus phacoemulsification. Bevel down tip of 30-degree helps in effective chopping and bevel up tip assists in emulsification of the nuclear fragments. Although combined bevel up and down 30

  2. The SMARTCyp cytochrome P450 metabolism prediction server

    DEFF Research Database (Denmark)

    Rydberg, Patrik; Gloriam, David Erik Immanuel; Olsen, Lars

    2010-01-01

    The SMARTCyp server is the first web application for site of metabolism prediction of cytochrome P450-mediated drug metabolism.......The SMARTCyp server is the first web application for site of metabolism prediction of cytochrome P450-mediated drug metabolism....

  3. Developing and validating a predictive model for stroke progression.

    Science.gov (United States)

    Craig, L E; Wu, O; Gilmour, H; Barber, M; Langhorne, P

    2011-01-01

    Progression is believed to be a common and important complication in acute stroke, and has been associated with increased mortality and morbidity. Reliable identification of predictors of early neurological deterioration could potentially benefit routine clinical care. The aim of this study was to identify predictors of early stroke progression using two independent patient cohorts. Two patient cohorts were used for this study - the first cohort formed the training data set, which included consecutive patients admitted to an urban teaching hospital between 2000 and 2002, and the second cohort formed the test data set, which included patients admitted to the same hospital between 2003 and 2004. A standard definition of stroke progression was used. The first cohort (n = 863) was used to develop the model. Variables that were statistically significant (p p > 0.1) in turn. The second cohort (n = 216) was used to test the performance of the model. The performance of the predictive model was assessed in terms of both calibration and discrimination. Multiple imputation methods were used for dealing with the missing values. Variables shown to be significant predictors of stroke progression were conscious level, history of coronary heart disease, presence of hyperosmolarity, CT lesion, living alone on admission, Oxfordshire Community Stroke Project classification, presence of pyrexia and smoking status. The model appears to have reasonable discriminative properties [the median receiver-operating characteristic curve value was 0.72 (range 0.72-0.73)] and to fit well with the observed data, which is indicated by the high goodness-of-fit p value [the median p value from the Hosmer-Lemeshow test was 0.90 (range 0.50-0.92)]. The predictive model developed in this study contains variables that can be easily collected in practice therefore increasing its usability in clinical practice. Using this analysis approach, the discrimination and calibration of the predictive model appear

  4. Effects of increasing tip velocity on wind turbine rotor design.

    Energy Technology Data Exchange (ETDEWEB)

    Resor, Brian Ray [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Maniaci, David Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Berg, Jonathan Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Richards, Phillip William [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2014-05-01

    A reduction in cost of energy from wind is anticipated when maximum allowable tip velocity is allowed to increase. Rotor torque decreases as tip velocity increases and rotor size and power rating are held constant. Reduction in rotor torque yields a lighter weight gearbox, a decrease in the turbine cost, and an increase in the capacity for the turbine to deliver cost competitive electricity. The high speed rotor incurs costs attributable to rotor aero-acoustics and system loads. The increased loads of high speed rotors drive the sizing and cost of other components in the system. Rotor, drivetrain, and tower designs at 80 m/s maximum tip velocity and 100 m/s maximum tip velocity are created to quantify these effects. Component costs, annualized energy production, and cost of energy are computed for each design to quantify the change in overall cost of energy resulting from the increase in turbine tip velocity. High fidelity physics based models rather than cost and scaling models are used to perform the work. Results provide a quantitative assessment of anticipated costs and benefits for high speed rotors. Finally, important lessons regarding full system optimization of wind turbines are documented.

  5. Kaplan turbine tip vortex cavitation – analysis and prevention

    International Nuclear Information System (INIS)

    Motycak, L; Skotak, A; Kupcik, R

    2012-01-01

    The work is focused on one type of Kaplan turbine runner cavitation – a tip vortex cavitation. For detailed description of the tip vortex, the CFD analysis is used. On the basis of this analysis it is possible to estimate the intensity of cavitating vortex core, danger of possible blade surface and runner chamber cavitation pitting. In the paper, the ways how to avoid the pitting effect of the tip vortex are described. In order to prevent the blade surface against pitting, the following possibilities as the change of geometry of the runner blade, dimension of tip clearance and finally the installation of the anti-cavitation lips are discussed. The knowledge of the shape and intensity of the tip vortex helps to design the anti-cavitation lips more sophistically. After all, the results of the model tests of the Kaplan runner with or without anti-cavitation lips and the results of the CFD analysis are compared.

  6. Predictive Modelling and Time: An Experiment in Temporal Archaeological Predictive Models

    OpenAIRE

    David Ebert

    2006-01-01

    One of the most common criticisms of archaeological predictive modelling is that it fails to account for temporal or functional differences in sites. However, a practical solution to temporal or functional predictive modelling has proven to be elusive. This article discusses temporal predictive modelling, focusing on the difficulties of employing temporal variables, then introduces and tests a simple methodology for the implementation of temporal modelling. The temporal models thus created ar...

  7. AERODYNAMICS OF WING TIP SAILS

    Directory of Open Access Journals (Sweden)

    MUSHTAK AL-ATABI

    2006-06-01

    Full Text Available Observers have always been fascinated by soaring birds. An interesting feature of these birds is the existence of few feathers extending from the tip of the wing. In this paper, small lifting surfaces were fitted to the tip of a NACA0012 wing in a fashion similar to that of wing tip feathers. Experimental measurements of induced drag, longitudinal static stability and trailing vortex structure were obtained.The tests showed that adding wing tip surfaces (sails decreased the induced drag factor and increased the longitudinal static stability. Results identified two discrete appositely rotated tip vortices and showed the ability of wing tip surfaces to break them down and to diffuse them.

  8. Gene expression in arabidopsis shoot tips after liquid nitrogen exposure

    Science.gov (United States)

    Arabidopsis thaliana shoot tips can be successfully cryopreserved using either Plant Vitrification Solution 2 (PVS2) or Plant Vitrification Solution 3 (PVS3) as the cryoprotectant. We used this model system to identify suites of genes that were either upregulated or downregulated as shoot tips recov...

  9. Strain gradient plasticity-based modeling of hydrogen environment assisted cracking

    DEFF Research Database (Denmark)

    Martínez Pañeda, Emilio; Niordson, Christian Frithiof; P. Gangloff, Richard

    2016-01-01

    Finite element analysis of stress about a blunt crack tip, emphasizing finite strain and phenomenologicaland mechanism-based strain gradient plasticity (SGP) formulations, is integrated with electrochemical assessment of occluded-crack tip hydrogen (H) solubility and two H-decohesion models...... to predict hydrogen environment assisted crack growth properties. SGP elevates crack tip geometrically necessary dislocation density and flow stress, with enhancement declining with increasing alloy strength. Elevated hydrostatic stress promotes high-trapped H concentration for crack tip damage......; it is imperative to account for SGP in H cracking models. Predictions of the threshold stress intensity factor and H-diffusion limited Stage II crack growth rate agree with experimental data for a high strength austenitic Ni-Cusuperalloy (Monel®K-500) and two modern ultra-high strength martensitic steels (Aer...

  10. Meiotic and pedigree segregation analyses in carriers of t(4;8)(p16;p23.1) differing in localization of breakpoint positions at 4p subband 4p16.3 and 4p16.1.

    Science.gov (United States)

    Midro, Alina T; Zollino, Marcella; Wiland, Ewa; Panasiuk, Barbara; Iwanowski, Piotr S; Murdolo, Marina; Śmigiel, Robert; Sąsiadek, Maria; Pilch, Jacek; Kurpisz, Maciej

    2016-02-01

    The purpose of this study was to compare meiotic segregation in sperm cells from two carriers with t(4;8)(p16;p23.1) reciprocal chromosome translocations (RCTs), differing in localization of the breakpoint positions at the 4p subband-namely, 4p16.3 (carrier 1) and 4p16.1 (carrier 2)-and to compare data of the pedigree analyses performed by direct method. Three-color fluorescent in situ hybridization (FISH) on sperm cells and FISH mapping for the evaluation of the breakpoint positions, data from pedigrees, and direct segregation analysis of the pedigrees were performed. Similar proportions of normal/balanced and unbalanced sperm cells were found in both carriers. The most common was an alternate type of segregation (about 52 % and about 48 %, respectively). Unbalanced adjacent I and adjacent II karyotypes were found in similar proportions about 15 %. The direct segregation analysis (following Stengel-Rutkowski) of the pedigree of carriers of t(4;8)(p16.1;p23.1) was performed and results were compared with the data of the pedigree segregation analysis obtained earlier through the indirect method. The probability of live-born progeny with unbalanced karyotype for carriers of t(4;8)(p16.1;p23.1) was moderately high at 18.8 %-comparable to the value obtained using the indirect method for the same carriership, which was 12 %. This was, however, markedly lower than the value of 41.2 % obtained through the pedigree segregation indirect analysis estimated for carriers of t(4;8)(p16.3;p23.1), perhaps due to the unique composition of genes present within the 4p16.1-4p 16.3 region. Revealed differences in pedigree segregation analysis did not correspond to the very similar profile of meiotic segregation patterns presented by carrier 1 and carrier 2. Most probably, such discordances may be due to differences in embryo survival rates arising from different genetic backgrounds.

  11. Single to Two Cluster State Transition of Primary Motor Cortex 4-posterior (MI-4p Activities in Humans

    Directory of Open Access Journals (Sweden)

    Kazunori Nakada

    2015-11-01

    Full Text Available The human primary motor cortex has dual representation of the digits, namely, area 4 anterior (MI-4a and area 4 posterior (MI-4p. We have previously demonstrated that activation of these two functional subunits can be identified independently by functional magnetic resonance imaging (fMRI using independent component-cross correlation-sequential epoch (ICS analysis. Subsequent studies in patients with hemiparesis due to subcortical lesions and monoparesis due to peripheral nerve injury demonstrated that MI-4p represents the initiation area of activation, whereas MI-4a is the secondarily activated motor cortex requiring a “long-loop” feedback input from secondary motor systems, likely the cerebellum. A dynamic model of hand motion based on the limit cycle oscillator predicts that the specific pattern of entrainment of neural firing may occur by applying appropriate periodic stimuli. Under normal conditions, such entrainment introduces a single phase-cluster. Under pathological conditions where entrainment stimuli have insufficient strength, the phase cluster splits into two clusters. Observable physiological phenomena of this shift from single cluster to two clusters are: doubling of firing rate of output neurons; or decay in group firing density of the system due to dampening of odd harmonics components. While the former is not testable in humans, the latter can be tested by appropriately designed fMRI experiments, the quantitative index of which is believed to reflect group behavior of neurons functionally localized, e.g., firing density in the dynamic theory. Accordingly, we performed dynamic analysis of MI-4p activation in normal volunteers and paretic patients. The results clearly indicated that MI-4p exhibits a transition from a single to a two phase-cluster state which coincided with loss of MI-4a activation. The study demonstrated that motor dysfunction (hemiparesis in patients with a subcortical infarct is not simply due to afferent

  12. Prediction of Critical Power and W' in Hypoxia: Application to Work-Balance Modelling.

    Science.gov (United States)

    Townsend, Nathan E; Nichols, David S; Skiba, Philip F; Racinais, Sebastien; Périard, Julien D

    2017-01-01

    Purpose: Develop a prediction equation for critical power (CP) and work above CP (W') in hypoxia for use in the work-balance ([Formula: see text]) model. Methods: Nine trained male cyclists completed cycling time trials (TT; 12, 7, and 3 min) to determine CP and W' at five altitudes (250, 1,250, 2,250, 3,250, and 4,250 m). Least squares regression was used to predict CP and W' at altitude. A high-intensity intermittent test (HIIT) was performed at 250 and 2,250 m. Actual and predicted CP and W' were used to compute W' during HIIT using differential ([Formula: see text]) and integral ([Formula: see text]) forms of the [Formula: see text] model. Results: CP decreased at altitude ( P equations for CP and W' developed in this study are suitable for use with the [Formula: see text] model in acute hypoxia. This enables the application of [Formula: see text] modelling to training prescription and competition analysis at altitude.

  13. Development and external validation of a risk-prediction model to predict 5-year overall survival in advanced larynx cancer.

    Science.gov (United States)

    Petersen, Japke F; Stuiver, Martijn M; Timmermans, Adriana J; Chen, Amy; Zhang, Hongzhen; O'Neill, James P; Deady, Sandra; Vander Poorten, Vincent; Meulemans, Jeroen; Wennerberg, Johan; Skroder, Carl; Day, Andrew T; Koch, Wayne; van den Brekel, Michiel W M

    2018-05-01

    TNM-classification inadequately estimates patient-specific overall survival (OS). We aimed to improve this by developing a risk-prediction model for patients with advanced larynx cancer. Cohort study. We developed a risk prediction model to estimate the 5-year OS rate based on a cohort of 3,442 patients with T3T4N0N+M0 larynx cancer. The model was internally validated using bootstrapping samples and externally validated on patient data from five external centers (n = 770). The main outcome was performance of the model as tested by discrimination, calibration, and the ability to distinguish risk groups based on tertiles from the derivation dataset. The model performance was compared to a model based on T and N classification only. We included age, gender, T and N classification, and subsite as prognostic variables in the standard model. After external validation, the standard model had a significantly better fit than a model based on T and N classification alone (C statistic, 0.59 vs. 0.55, P statistic to 0.68. A risk prediction model for patients with advanced larynx cancer, consisting of readily available clinical variables, gives more accurate estimations of the estimated 5-year survival rate when compared to a model based on T and N classification alone. 2c. Laryngoscope, 128:1140-1145, 2018. © 2017 The American Laryngological, Rhinological and Otological Society, Inc.

  14. Validation of the close-to-delivery prediction model for vaginal birth after cesarean delivery in a Middle Eastern cohort.

    Science.gov (United States)

    Abdel Aziz, Ahmed; Abd Rabbo, Amal; Sayed Ahmed, Waleed A; Khamees, Rasha E; Atwa, Khaled A

    2016-07-01

    To validate a prediction model for vaginal birth after cesarean (VBAC) that incorporates variables available at admission for delivery among Middle Eastern women. The present prospective cohort study enrolled women at 37weeks of pregnancy or more with cephalic presentation who were willing to attempt a trial of labor (TOL) after a single prior low transverse cesarean delivery at Al-Jahra Hospital, Kuwait, between June 2013 and June 2014. The predicted success rate of VBAC determined via the close-to-delivery prediction model of Grobman et al. was compared between participants whose TOL was and was not successful. Among 203 enrolled women, 140 (69.0%) had successful VBAC. The predicted VBAC success rate was higher among women with successful TOL (82.4%±13.1%) than among those with failed TOL (67.7%±18.3%; P30%-40% to >90%-100%, the actual success rate was 20%, 30.7%, 38.5%, 59.1%, 71.4%, 76%, and 84.5%, respectively (r=0.98, P=0.013). The close-to-delivery prediction model was found to be applicable to Middle Eastern women and might predict VBAC success rates, thereby decreasing morbidities associated with failed TOL. Copyright © 2016 International Federation of Gynecology and Obstetrics. Published by Elsevier Ireland Ltd. All rights reserved.

  15. Predictive integrated modelling for ITER scenarios

    International Nuclear Information System (INIS)

    Artaud, J.F.; Imbeaux, F.; Aniel, T.; Basiuk, V.; Eriksson, L.G.; Giruzzi, G.; Hoang, G.T.; Huysmans, G.; Joffrin, E.; Peysson, Y.; Schneider, M.; Thomas, P.

    2005-01-01

    The uncertainty on the prediction of ITER scenarios is evaluated. 2 transport models which have been extensively validated against the multi-machine database are used for the computation of the transport coefficients. The first model is GLF23, the second called Kiauto is a model in which the profile of dilution coefficient is a gyro Bohm-like analytical function, renormalized in order to get profiles consistent with a given global energy confinement scaling. The package of codes CRONOS is used, it gives access to the dynamics of the discharge and allows the study of interplay between heat transport, current diffusion and sources. The main motivation of this work is to study the influence of parameters such plasma current, heat, density, impurities and toroidal moment transport. We can draw the following conclusions: 1) the target Q = 10 can be obtained in ITER hybrid scenario at I p = 13 MA, using either the DS03 two terms scaling or the GLF23 model based on the same pedestal; 2) I p = 11.3 MA, Q = 10 can be reached only assuming a very peaked pressure profile and a low pedestal; 3) at fixed Greenwald fraction, Q increases with density peaking; 4) achieving a stationary q-profile with q > 1 requires a large non-inductive current fraction (80%) that could be provided by 20 to 40 MW of LHCD; and 5) owing to the high temperature the q-profile penetration is delayed and q = 1 is reached about 600 s in ITER hybrid scenario at I p = 13 MA, in the absence of active q-profile control. (A.C.)

  16. Experimental TIPS with spiral Z-stents in swine with and without induced portal hypertension

    International Nuclear Information System (INIS)

    Kichikawa, Kimihiko; Saxon, Richard R.; Nishimine, Kiyoshi; Nishida, Norifumi; Uchida, Barry T.

    1997-01-01

    Purpose. To assess the suitability of spiral Z-stents for transjugular intrahepatic portosystemic shunt (TIPS) and the influence of portal hypertension on shunt patency in young swine. Methods. TIPS were established using spiral Z-stents in 14 domestic swine. In 7 animals, the portal venous pressure was normal; in the other 7, acute portal hypertension was induced by embolization of portal vein branches. Follow-up portal venography and histologic evaluations were done from 1 hr to 12 weeks after TIPS. Results. Follow-up transhepatic portal venograms showed progressive narrowing of the shunt, most priminent in the midportion of the tract. Ingrowth of liver parenchyma between the stent wires found after 3 weeks led to progressive shunt narrowing and shunt occlusion by 12 weeks. A pseudointima grew rapidly inside the stent, peaked in thickness around 4 weeks, and decreased later. Acutely created portal hypertension rapidly returned to normal and there was no difference in TIPS patency between the two groups of animals. Conclusion. Although the spiral Z-stent can be used as a device for creation of TIPS in patients with cirrhotic livers, it is associated with extensive liver ingrowth in swine that leads to rapid shunt occlusion. Portal hypertension was only transient in this model

  17. Generating a robust prediction model for stage I lung adenocarcinoma recurrence after surgical resection.

    Science.gov (United States)

    Wu, Yu-Chung; Wei, Nien-Chih; Hung, Jung-Jyh; Yeh, Yi-Chen; Su, Li-Jen; Hsu, Wen-Hu; Chou, Teh-Ying

    2017-10-03

    Lung cancer mortality remains high even after successful resection. Adjuvant treatment benefits stage II and III patients, but not stage I patients, and most studies fail to predict recurrence in stage I patients. Our study included 211 lung adenocarcinoma patients (stages I-IIIA; 81% stage I) who received curative resections at Taipei Veterans General Hospital between January 2001 and December 2012. We generated a prediction model using 153 samples, with validation using an additional 58 clinical outcome-blinded samples. Gene expression profiles were generated using formalin-fixed, paraffin-embedded tissue samples and microarrays. Data analysis was performed using a supervised clustering method. The prediction model generated from mixed stage samples successfully separated patients at high vs. low risk for recurrence. The validation tests hazard ratio (HR = 4.38) was similar to that of the training tests (HR = 4.53), indicating a robust training process. Our prediction model successfully distinguished high- from low-risk stage IA and IB patients, with a difference in 5-year disease-free survival between high- and low-risk patients of 42% for stage IA and 45% for stage IB ( p model for identifying lung adenocarcinoma patients at high risk for recurrence who may benefit from adjuvant therapy. Our prediction performance of the difference in disease free survival between high risk and low risk groups demonstrates more than two fold improvement over earlier published results.

  18. High bacterial contamination rate of electrocautery tips during total hip and knee arthroplasty.

    Science.gov (United States)

    Abdelaziz, Hussein; Zahar, Akos; Lausmann, Christian; Gehrke, Thorsten; Fickenscher, Helmut; Suero, Eduardo M; Gebauer, Matthias; Citak, Mustafa

    2018-04-01

    The aim of the study was to quantify the bacterial contamination rate of electrocautery tips during primary total joint replacement (TJR), as well as during aseptic and septic revision TJR. A total of 150 electrocautery tips were collected between April and July 2017. TJR surgeries were divided into three groups: (1) primary, (2) aseptic and (3) septic revisions. In each group, a total of 50 electrocautery tips were collected. A monopolar electrocautery with a reusable stainless-steel blade tip was used in all cases. The rate of bacterial contamination was determined for all groups. Correlation of exposure time and type of surgery was analyzed. The overall bacterial contamination rate was 14.7% (95% CI 9.4 to 21.4%). The highest contamination rate occurred in the septic revision group (30.0%; 95% CI 17.9 to 44.6%), followed by the primary cases group (10.0%; 95% CI 3.3 to 21.8%) and the aseptic revision group (4.0%; 95% CI 0.5 to 13.7%). Exposure time did not affect the bacterial contamination rate. In 12 out of 15 (80%) contaminations identified in the septic group, we found the same causative microorganism of the prosthetic joint infection on the electrocautery tip. The bacterial contamination of the electrocautery tips is relatively high, especially during septic hip revision arthroplasty. Electrocautery tips should be changed after debridement of infected tissue.

  19. Theoretical approach of photo-field emission in degenerated semiconductors. The case of slightly P-doped silicon tips; Approche theorique de la photoemission de champ a partir de semiconducteurs degeneres. Cas des pointes de silicium faiblement dope p

    Energy Technology Data Exchange (ETDEWEB)

    Chbihi El Wahoudi, A. [Ecole Doctorale des Sciences Fondamentales, Clermont-Ferrand-2 Univ., 63 - Aubiere (France). U.F.R. de Recherche Scientifique et Technique

    1996-12-20

    After defining field emission in metallic tips, we examine thoroughly a theory of photo-field emission following the works of Bagchi, Schwartz and Gao. This theory is compared to the experimental results of Reifenberger et al. We study the field emission in a semiconductor, following R. Stratton, and we propose a new theoretical interpretation of the anomalous growth of current with field, as it often occurs in the characteristic current-voltage. We assume the creation by the field of a dynamic quantum well in the surface conduction band. As a consequence of the induced degeneracy, we express theoretically the contribution to the current, of the electrons confined in the well. We compare this hypothesis to the emission of doped P silicon. There is a fairly good agreement. Assuming that the electrons are confined in the well, we develop a new theoretical approach of the photo-field emission of a degenerated semiconductor. We derive the photoelectric transition probability in the case of laser YAG pulse of picosecond duration, then the photocurrent densities of various photonic energies for distinct values of electric field, taking into account the optical property of the medium. We are thus able to interpret our experimental results with a good agreement. This original development should enable us to predict the behaviour of our tipped photocathodes in photo-injectors (CLIC, CANDELA, Tesla). These photocathodes could be interesting in infrared detection. (author) 55 refs.

  20. Mental models accurately predict emotion transitions.

    Science.gov (United States)

    Thornton, Mark A; Tamir, Diana I

    2017-06-06

    Successful social interactions depend on people's ability to predict others' future actions and emotions. People possess many mechanisms for perceiving others' current emotional states, but how might they use this information to predict others' future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others' emotional dynamics. People could then use these mental models of emotion transitions to predict others' future emotions from currently observable emotions. To test this hypothesis, studies 1-3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants' ratings of emotion transitions predicted others' experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation-valence, social impact, rationality, and human mind-inform participants' mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants' accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone.

  1. Mental models accurately predict emotion transitions

    Science.gov (United States)

    Thornton, Mark A.; Tamir, Diana I.

    2017-01-01

    Successful social interactions depend on people’s ability to predict others’ future actions and emotions. People possess many mechanisms for perceiving others’ current emotional states, but how might they use this information to predict others’ future states? We hypothesized that people might capitalize on an overlooked aspect of affective experience: current emotions predict future emotions. By attending to regularities in emotion transitions, perceivers might develop accurate mental models of others’ emotional dynamics. People could then use these mental models of emotion transitions to predict others’ future emotions from currently observable emotions. To test this hypothesis, studies 1–3 used data from three extant experience-sampling datasets to establish the actual rates of emotional transitions. We then collected three parallel datasets in which participants rated the transition likelihoods between the same set of emotions. Participants’ ratings of emotion transitions predicted others’ experienced transitional likelihoods with high accuracy. Study 4 demonstrated that four conceptual dimensions of mental state representation—valence, social impact, rationality, and human mind—inform participants’ mental models. Study 5 used 2 million emotion reports on the Experience Project to replicate both of these findings: again people reported accurate models of emotion transitions, and these models were informed by the same four conceptual dimensions. Importantly, neither these conceptual dimensions nor holistic similarity could fully explain participants’ accuracy, suggesting that their mental models contain accurate information about emotion dynamics above and beyond what might be predicted by static emotion knowledge alone. PMID:28533373

  2. Ab Initio Molecular Dynamics and Lattice Dynamics-Based Force Field for Modeling Hexagonal Boron Nitride in Mechanical and Interfacial Applications.

    Science.gov (United States)

    Govind Rajan, Ananth; Strano, Michael S; Blankschtein, Daniel

    2018-04-05

    Hexagonal boron nitride (hBN) is an up-and-coming two-dimensional material, with applications in electronic devices, tribology, and separation membranes. Herein, we utilize density-functional-theory-based ab initio molecular dynamics (MD) simulations and lattice dynamics calculations to develop a classical force field (FF) for modeling hBN. The FF predicts the crystal structure, elastic constants, and phonon dispersion relation of hBN with good accuracy and exhibits remarkable agreement with the interlayer binding energy predicted by random phase approximation calculations. We demonstrate the importance of including Coulombic interactions but excluding 1-4 intrasheet interactions to obtain the correct phonon dispersion relation. We find that improper dihedrals do not modify the bulk mechanical properties and the extent of thermal vibrations in hBN, although they impact its flexural rigidity. Combining the FF with the accurate TIP4P/Ice water model yields excellent agreement with interaction energies predicted by quantum Monte Carlo calculations. Our FF should enable an accurate description of hBN interfaces in classical MD simulations.

  3. ATM Mediates pRB Function To Control DNMT1 Protein Stability and DNA Methylation

    Science.gov (United States)

    Suzuki, Misa; Hayashi, Naoyuki; Kobayashi, Masahiko; Sasaki, Nobunari; Nishiuchi, Takumi; Doki, Yuichiro; Okamoto, Takahiro; Kohno, Susumu; Muranaka, Hayato; Kitajima, Shunsuke; Yamamoto, Ken-ichi

    2013-01-01

    The retinoblastoma tumor suppressor gene (RB) product has been implicated in epigenetic control of gene expression owing to its ability to physically bind to many chromatin modifiers. However, the biological and clinical significance of this activity was not well elucidated. To address this, we performed genetic and epigenetic analyses in an Rb-deficient mouse thyroid C cell tumor model. Here we report that the genetic interaction of Rb and ATM regulates DNMT1 protein stability and hence controls the DNA methylation status in the promoters of at least the Ink4a, Shc2, FoxO6, and Noggin genes. Furthermore, we demonstrate that inactivation of pRB promotes Tip60 (acetyltransferase)-dependent ATM activation; allows activated ATM to physically bind to DNMT1, forming a complex with Tip60 and UHRF1 (E3 ligase); and consequently accelerates DNMT1 ubiquitination driven by Tip60-dependent acetylation. Our results indicate that inactivation of the pRB pathway in coordination with aberration in the DNA damage response deregulates DNMT1 stability, leading to an abnormal DNA methylation pattern and malignant progression. PMID:23754744

  4. Potential Success and Barrier Factors for Implementation of the Transition to Independence (TIP Model

    Directory of Open Access Journals (Sweden)

    Christopher M. Kalinyak

    2017-01-01

    Full Text Available In this qualitative study, 28 key stakeholders who work with transition-aged youth participated in focus group discussions addressing success and barrier factors regarding implementation of a transition to independence process (TIP program for youth, ages 14–29, in three Midwestern cities. All participants had prior knowledge of TIP. The paradigm shift to client-oriented goals and services was acknowledged by respondents as the prime benefit of TIP; youth are more motivated to follow through on self-determined goals. Barrier factors for providers involved collaboration with agencies adhering to provider-oriented interventions, provision of TIP methods training, and reallocation of time and money. Barrier factors for youth involved mistrust of service providers, overcoming maturational deficits, and acquiring and maintaining relationships, reputations, and social supports.

  5. Using Pareto points for model identification in predictive toxicology

    Science.gov (United States)

    2013-01-01

    Predictive toxicology is concerned with the development of models that are able to predict the toxicity of chemicals. A reliable prediction of toxic effects of chemicals in living systems is highly desirable in cosmetics, drug design or food protection to speed up the process of chemical compound discovery while reducing the need for lab tests. There is an extensive literature associated with the best practice of model generation and data integration but management and automated identification of relevant models from available collections of models is still an open problem. Currently, the decision on which model should be used for a new chemical compound is left to users. This paper intends to initiate the discussion on automated model identification. We present an algorithm, based on Pareto optimality, which mines model collections and identifies a model that offers a reliable prediction for a new chemical compound. The performance of this new approach is verified for two endpoints: IGC50 and LogP. The results show a great potential for automated model identification methods in predictive toxicology. PMID:23517649

  6. A Blade Tip Timing Method Based on a Microwave Sensor

    Directory of Open Access Journals (Sweden)

    Jilong Zhang

    2017-05-01

    Full Text Available Blade tip timing is an effective method for blade vibration measurements in turbomachinery. This method is increasing in popularity because it is non-intrusive and has several advantages over the conventional strain gauge method. Different kinds of sensors have been developed for blade tip timing, including optical, eddy current and capacitance sensors. However, these sensors are unsuitable in environments with contaminants or high temperatures. Microwave sensors offer a promising potential solution to overcome these limitations. In this article, a microwave sensor-based blade tip timing measurement system is proposed. A patch antenna probe is used to transmit and receive the microwave signals. The signal model and process method is analyzed. Zero intermediate frequency structure is employed to maintain timing accuracy and dynamic performance, and the received signal can also be used to measure tip clearance. The timing method uses the rising and falling edges of the signal and an auto-gain control circuit to reduce the effect of tip clearance change. To validate the accuracy of the system, it is compared experimentally with a fiber optic tip timing system. The results show that the microwave tip timing system achieves good accuracy.

  7. Preventing patient absenteeism: validation of a predictive overbooking model.

    Science.gov (United States)

    Reid, Mark W; Cohen, Samuel; Wang, Hank; Kaung, Aung; Patel, Anish; Tashjian, Vartan; Williams, Demetrius L; Martinez, Bibiana; Spiegel, Brennan M R

    2015-12-01

    To develop a model that identifies patients at high risk for missing scheduled appointments ("no-shows" and cancellations) and to project the impact of predictive overbooking in a gastrointestinal endoscopy clinic-an exemplar resource-intensive environment with a high no-show rate. We retrospectively developed an algorithm that uses electronic health record (EHR) data to identify patients who do not show up to their appointments. Next, we prospectively validated the algorithm at a Veterans Administration healthcare network clinic. We constructed a multivariable logistic regression model that assigned a no-show risk score optimized by receiver operating characteristic curve analysis. Based on these scores, we created a calendar of projected open slots to offer to patients and compared the daily performance of predictive overbooking with fixed overbooking and typical "1 patient, 1 slot" scheduling. Data from 1392 patients identified several predictors of no-show, including previous absenteeism, comorbid disease burden, and current diagnoses of mood and substance use disorders. The model correctly classified most patients during the development (area under the curve [AUC] = 0.80) and validation phases (AUC = 0.75). Prospective testing in 1197 patients found that predictive overbooking averaged 0.51 unused appointments per day versus 6.18 for typical booking (difference = -5.67; 95% CI, -6.48 to -4.87; P < .0001). Predictive overbooking could have increased service utilization from 62% to 97% of capacity, with only rare clinic overflows. Information from EHRs can accurately predict whether patients will no-show. This method can be used to overbook appointments, thereby maximizing service utilization while staying within clinic capacity.

  8. Comparison of impact-picture predictions with data from CERN panti p collider

    International Nuclear Information System (INIS)

    Bourrely, C.; Westfield Coll., London; Soffer, J.; Tai Tsun Wu.

    1982-11-01

    Recent data on the total cross section and the elastic slope parameters at small momentum transfers from the UA1 and UA4 Collaborations at the CERN panti p Collider are compared with the impact-picture predictions. (orig.)

  9. Interfacial thermodynamics of water and six other liquid solvents.

    Science.gov (United States)

    Pascal, Tod A; Goddard, William A

    2014-06-05

    We examine the thermodynamics of the liquid-vapor interface by direct calculation of the surface entropy, enthalpy, and free energy from extensive molecular dynamics simulations using the two-phase thermodynamics (2PT) method. Results for water, acetonitrile, cyclohexane, dimethyl sulfoxide, hexanol, N-methyl acetamide, and toluene are presented. We validate our approach by predicting the interfacial surface tensions (IFT--excess surface free energy per unit area) in excellent agreement with the mechanical calculations using Kirkwood-Buff theory. Additionally, we evaluate the temperature dependence of the IFT of water as described by the TIP4P/2005, SPC/Ew, TIP3P, and mW classical water models. We find that the TIP4P/2005 and SPC/Ew water models do a reasonable job of describing the interfacial thermodynamics; however, the TIP3P and mW are quite poor. We find that the underprediction of the experimental IFT at 298 K by these water models results from understructured surface molecules whose binding energies are too weak. Finally, we performed depth profiles of the interfacial thermodynamics which revealed long tails that extend far into what would be considered bulk from standard Gibbs theory. In fact, we find a nonmonotonic interfacial free energy profile for water, a unique feature that could have important consequences for the absorption of ions and other small molecules.

  10. Tip-Enhanced Raman Voltammetry: Coverage Dependence and Quantitative Modeling.

    Science.gov (United States)

    Mattei, Michael; Kang, Gyeongwon; Goubert, Guillaume; Chulhai, Dhabih V; Schatz, George C; Jensen, Lasse; Van Duyne, Richard P

    2017-01-11

    Electrochemical atomic force microscopy tip-enhanced Raman spectroscopy (EC-AFM-TERS) was employed for the first time to observe nanoscale spatial variations in the formal potential, E 0' , of a surface-bound redox couple. TERS cyclic voltammograms (TERS CVs) of single Nile Blue (NB) molecules were acquired at different locations spaced 5-10 nm apart on an indium tin oxide (ITO) electrode. Analysis of TERS CVs at different coverages was used to verify the observation of single-molecule electrochemistry. The resulting TERS CVs were fit to the Laviron model for surface-bound electroactive species to quantitatively extract the formal potential E 0' at each spatial location. Histograms of single-molecule E 0' at each coverage indicate that the electrochemical behavior of the cationic oxidized species is less sensitive to local environment than the neutral reduced species. This information is not accessible using purely electrochemical methods or ensemble spectroelectrochemical measurements. We anticipate that quantitative modeling and measurement of site-specific electrochemistry with EC-AFM-TERS will have a profound impact on our understanding of the role of nanoscale electrode heterogeneity in applications such as electrocatalysis, biological electron transfer, and energy production and storage.

  11. Influence of orientation mismatch on charge transport across grain boundaries in tri-isopropylsilylethynyl (TIPS) pentacene thin films.

    Science.gov (United States)

    Steiner, Florian; Poelking, Carl; Niedzialek, Dorota; Andrienko, Denis; Nelson, Jenny

    2017-05-03

    We present a multi-scale model for charge transport across grain boundaries in molecular electronic materials that incorporates packing disorder, electrostatic and polarisation effects. We choose quasi two-dimensional films of tri-isopropylsilylethynyl pentacene (TIPS-P) as a model system representative of technologically relevant crystalline organic semiconductors. We use atomistic molecular dynamics, with a force-field specific for TIPS-P, to generate and equilibrate polycrystalline two-dimensional thin films. The energy landscape is obtained by calculating contributions from electrostatic interactions and polarization. The variation in these contributions leads to energetic barriers between grains. Subsequently, charge transport is simulated using a kinetic Monte-Carlo algorithm. Two-grain systems with varied mutual orientation are studied. We find relatively little effect of long grain boundaries due to the presence of low impedance pathways. However, effects could be more pronounced for systems with limited inter-grain contact areas. Furthermore, we present a lattice model to generalize the model for small molecular systems. In the general case, depending on molecular architecture and packing, grain boundaries can result in interfacial energy barriers, traps or a combination of both with qualitatively different effects on charge transport.

  12. Refined tip preparation by electrochemical etching and ultrahigh vacuum treatment to obtain atomically sharp tips for scanning tunneling microscope and atomic force microscope.

    Science.gov (United States)

    Hagedorn, Till; El Ouali, Mehdi; Paul, William; Oliver, David; Miyahara, Yoichi; Grütter, Peter

    2011-11-01

    A modification of the common electrochemical etching setup is presented. The described method reproducibly yields sharp tungsten tips for usage in the scanning tunneling microscope and tuning fork atomic force microscope. In situ treatment under ultrahigh vacuum (p ≤10(-10) mbar) conditions for cleaning and fine sharpening with minimal blunting is described. The structure of the microscopic apex of these tips is atomically resolved with field ion microscopy and cross checked with field emission. © 2011 American Institute of Physics

  13. Dielectrophoretic positioning of single nanoparticles on atomic force microscope tips for tip-enhanced Raman spectroscopy.

    Science.gov (United States)

    Leiterer, Christian; Deckert-Gaudig, Tanja; Singh, Prabha; Wirth, Janina; Deckert, Volker; Fritzsche, Wolfgang

    2015-05-01

    Tip-enhanced Raman spectroscopy, a combination of Raman spectroscopy and scanning probe microscopy, is a powerful technique to detect the vibrational fingerprint of molecules at the nanometer scale. A metal nanoparticle at the apex of an atomic force microscope tip leads to a large enhancement of the electromagnetic field when illuminated with an appropriate wavelength, resulting in an increased Raman signal. A controlled positioning of individual nanoparticles at the tip would improve the reproducibility of the probes and is quite demanding due to usually serial and labor-intensive approaches. In contrast to commonly used submicron manipulation techniques, dielectrophoresis allows a parallel and scalable production, and provides a novel approach toward reproducible and at the same time affordable tip-enhanced Raman spectroscopy tips. We demonstrate the successful positioning of an individual plasmonic nanoparticle on a commercial atomic force microscope tip by dielectrophoresis followed by experimental proof of the Raman signal enhancing capabilities of such tips. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Results of the radiological survey at 104 Avenue E, Lodi, New Jersey (LJ086)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.

    1989-12-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 104 Avenue E, Lodi, New Jersey (LJ086), was conducted during 1988. 5 refs., 2 figs., 3 tabs

  15. Results of the radiological survey at 15 John Street, Lodi, New Jersey (LJ087)

    International Nuclear Information System (INIS)

    Foley, R.D.; Floyd, L.M.

    1989-12-01

    Maywood Chemical Works (MCW) of Maywood, New Jersey, generated process wastes and residues associated with the production and refining of thorium and thorium compounds from monazite ores from 1916 to 1956. MCW supplied rare earth metals and thorium compounds to the Atomic Energy Commission and various other government agencies from the late 1940s to the mid-1950s. Area residents used the sandlike waste from this thorium extraction process mixed with tea and cocoa leaves as mulch in their yards. Some of these contaminated wastes were also eroded from the site into Lodi Brook. At the request of the US Department of Energy (DOE), a group from Oak Ridge National Laboratory conducts investigative radiological surveys of properties in the vicinity of MCW to determine whether a property is contaminated with radioactive residues, principally 232 Th, derived from the MCW site. The survey typically includes direct measurement of gamma radiation levels and soil sampling for radionuclide analyses. The survey of this site, 15 John Street, Lodi, New Jersey (LJ087), was conducted during 1988. 5 refs., 3 figs., 3 tabs

  16. pH prediction by artificial neural networks for the drinking water of the distribution system of Hyderabad city

    International Nuclear Information System (INIS)

    Memon, N.A.; Unar, M.A.; Ansari, A.K.

    2012-01-01

    In this research, feed forward ANN (Artificial Neural Network) model is developed and validated for predicting the pH at 10 different locations of the distribution system of drinking water of Hyderabad city. The developed model is MLP (Multilayer Perceptron) with back propagation algorithm. The data for the training and testing of the model are collected through an experimental analysis on weekly basis in a routine examination for maintaining the quality of drinking water in the city. 17 parameters are taken into consideration including pH. These all parameters are taken as input variables for the model and then pH is predicted for 03 phases;raw water of river Indus,treated water in the treatment plants and then treated water in the distribution system of drinking water. The training and testing results of this model reveal that MLP neural networks are exceedingly extrapolative for predicting the pH of river water, untreated and treated water at all locations of the distribution system of drinking water of Hyderabad city. The optimum input and output weights are generated with minimum MSE (Mean Square Error) < 5%. Experimental, predicted and tested values of pH are plotted and the effectiveness of the model is determined by calculating the coefficient of correlation (R2=0.999) of trained and tested results. (author)

  17. Predictive value of mutant p53 expression index obtained from nonenhanced computed tomography measurements for assessing invasiveness of ground-glass opacity nodules

    Directory of Open Access Journals (Sweden)

    Wang W

    2016-03-01

    Full Text Available Wei Wang,1 Jian Li,2 Ransheng Liu,1 Aixu Zhang,1 Zhiyong Yuan1 1Department of Radiation Oncology, Tianjin Medical University Cancer Institute and Hospital, National Clinical Research Center of Cancer, Key Laboratory of Cancer Prevention and Therapy, Tianjin, People’s Republic of China; 2Department of Radiology, Tianjin Hospital, Tianjin, People’s Republic of China Purpose: To predict p53 expression index (p53-EI based on measurements from computed tomography (CT for preoperatively assessing pathologies of nodular ground-glass opacities (nGGOs. Methods: Information of 176 cases with nGGOs on high-resolution CT that were pathologically confirmed adenocarcinoma was collected. Diameters, total volumes (TVs, maximum (MAX, average (AVG, and standard deviation (STD of CT attenuations within nGGOs were measured. p53-EI was evaluated through immunohistochemistry with Image-Pro Plus 6.0. A multiple linear stepwise regression model was established to calculate p53-EI prediction from CT measurements. Receiver-operating characteristic curve analysis was performed to compare the diagnostic performance of variables in differentiating preinvasive adenocarcinoma (PIA, minimally invasive adenocarcinoma (MIA, and invasive adenocarcinoma (IAC. Results: Diameters, TVs, MAX, AVG, and STD showed significant differences among PIAs, MIAs, and IACs (all P-values <0.001, with only MAX being incapable to differentiate MIAs from IACs (P=0.106. The mean p53-EIs of PIAs, MIAs, and IACs were 3.4±2.0, 7.2±1.9, and 9.8±2.7, with significant intergroup differences (all P-values <0.001. An equation was established by multiple linear regression as: p53-EI prediction =0.001* TVs +0.012* AVG +0.022* STD +9.345, through which p53-EI predictions were calculated to be 4.4%±1.0%, 6.8%±1.3%, and 8.5%±1.4% for PIAs, MIAs, and IACs (Kruskal–Wallis test P<0.001; Tamhane’s T2 test: PIA vs MIA P<0.001, MIA vs IAC P<0.001, respectively. Although not significant, p53-EI prediction

  18. Building and verifying a severity prediction model of acute pancreatitis (AP) based on BISAP, MEWS and routine test indexes.

    Science.gov (United States)

    Ye, Jiang-Feng; Zhao, Yu-Xin; Ju, Jian; Wang, Wei

    2017-10-01

    To discuss the value of the Bedside Index for Severity in Acute Pancreatitis (BISAP), Modified Early Warning Score (MEWS), serum Ca2+, similarly hereinafter, and red cell distribution width (RDW) for predicting the severity grade of acute pancreatitis and to develop and verify a more accurate scoring system to predict the severity of AP. In 302 patients with AP, we calculated BISAP and MEWS scores and conducted regression analyses on the relationships of BISAP scoring, RDW, MEWS, and serum Ca2+ with the severity of AP using single-factor logistics. The variables with statistical significance in the single-factor logistic regression were used in a multi-factor logistic regression model; forward stepwise regression was used to screen variables and build a multi-factor prediction model. A receiver operating characteristic curve (ROC curve) was constructed, and the significance of multi- and single-factor prediction models in predicting the severity of AP using the area under the ROC curve (AUC) was evaluated. The internal validity of the model was verified through bootstrapping. Among 302 patients with AP, 209 had mild acute pancreatitis (MAP) and 93 had severe acute pancreatitis (SAP). According to single-factor logistic regression analysis, we found that BISAP, MEWS and serum Ca2+ are prediction indexes of the severity of AP (P-value0.05). The multi-factor logistic regression analysis showed that BISAP and serum Ca2+ are independent prediction indexes of AP severity (P-value0.05); BISAP is negatively related to serum Ca2+ (r=-0.330, P-valuemodel is as follows: ln()=7.306+1.151*BISAP-4.516*serum Ca2+. The predictive ability of each model for SAP follows the order of the combined BISAP and serum Ca2+ prediction model>Ca2+>BISAP. There is no statistical significance for the predictive ability of BISAP and serum Ca2+ (P-value>0.05); however, there is remarkable statistical significance for the predictive ability using the newly built prediction model as well as BISAP

  19. Optimization study on pin tip diameter of an impact-pin nozzle at high pressure ratio

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, C. Palani; Lee, Kwon Hee [FMTRC, Daejoo Machinery Co. Ltd., Daegu (Korea, Republic of); Park, Tae Choon; Cha, Bong Jun [Engine Components Research Team, Korea Aerospace Research Institute, Daejeon (Korea, Republic of); Kim, Heuy Dong [Dept. of Mechanical Engineering, Andong National University, Andong (Korea, Republic of)

    2016-09-15

    Wet compression system is typically installed in a gas turbine engine to increase the net power output and efficiency. A crucial component of the wet compression system is the nozzle which generates fine water droplets for injection into the compressor. The main objective of present work is to optimize a kind of nozzle called impact-pin spray nozzle and thereby produce better quality droplets. To achieve this, the dynamics occurring in the water jet impinging on the pin tip, the subsequent formation of water sheet, which finally breaks into water droplets, must be studied. In this manuscript, the progress on the numerical studies on impact-pin nozzle are reported. A small computational domain covering the orifice, pin tip and the region where primary atomization occurs is selected for numerical analysis. The governing equations are selected in three dimensional cartesian form and simulations are performed to predict the dynamics of water jet impinging on the pin. Systematic studies were carried out and the results leading to the choice of turbulence model and the effect of pin tip diameter are reported here. Further studies are proposed to show the future directions of the present research work.

  20. A highly predictive A 4 flavor 3-3-1 model with radiative inverse seesaw mechanism

    Science.gov (United States)

    Cárcamo Hernández, A. E.; Long, H. N.

    2018-04-01

    We build a highly predictive 3-3-1 model, where the field content is extended by including several SU(3) L scalar singlets and six right handed Majorana neutrinos. In our model the {SU}{(3)}C× {SU}{(3)}L× U{(1)}X gauge symmetry is supplemented by the {A}4× {Z}4× {Z}6× {Z}16× {Z}16{\\prime } discrete group, which allows to get a very good description of the low energy fermion flavor data. In the model under consideration, the {A}4× {Z}4× {Z}6× {Z}16× {Z}16{\\prime } discrete group is broken at very high energy scale down to the preserved Z 2 discrete symmetry, thus generating the observed pattern of SM fermion masses and mixing angles and allowing the implementation of the loop level inverse seesaw mechanism for the generation of the light active neutrino masses, respectively. The obtained values for the physical observables in the quark sector agree with the experimental data, whereas those ones for the lepton sector also do, only for the case of inverted neutrino mass spectrum. The normal neutrino mass hierarchy scenario of the model is ruled out by the neutrino oscillation experimental data. We find an effective Majorana neutrino mass parameter of neutrinoless double beta decay of m ee = 46.9 meV, a leptonic Dirac CP violating phase of -81.37° and a Jarlskog invariant of about 10-2 for the inverted neutrino mass hierarchy. The preserved Z 2 symmetry allows for a stable scalar dark matter candidate.

  1. Safety Tips: Basketball (For Parents)

    Science.gov (United States)

    ... Staying Safe Videos for Educators Search English Español Safety Tips: Basketball KidsHealth / For Parents / Safety Tips: Basketball ... make sure they follow these tips. Why Basketball Safety Is Important Fortunately, very few basketball injuries are ...

  2. Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology

    Energy Technology Data Exchange (ETDEWEB)

    Michalis, Vasileios K.; Costandy, Joseph; Economou, Ioannis G., E-mail: ioannis.economou@qatar.tamu.edu [Chemical Engineering Program, Texas A and M University at Qatar, P.O. Box 23847, Doha (Qatar); Tsimpanogiannis, Ioannis N.; Stubos, Athanassios K. [Environmental Research Laboratory, National Center for Scientific Research NCSR “Demokritos,” Aghia Paraskevi, Attiki GR-15310 (Greece)

    2015-01-28

    The direct phase coexistence method is used for the determination of the three-phase coexistence line of sI methane hydrates. Molecular dynamics (MD) simulations are carried out in the isothermal–isobaric ensemble in order to determine the coexistence temperature (T{sub 3}) at four different pressures, namely, 40, 100, 400, and 600 bar. Methane bubble formation that results in supersaturation of water with methane is generally avoided. The observed stochasticity of the hydrate growth and dissociation processes, which can be misleading in the determination of T{sub 3}, is treated with long simulations in the range of 1000–4000 ns and a relatively large number of independent runs. Statistical averaging of 25 runs per pressure results in T{sub 3} predictions that are found to deviate systematically by approximately 3.5 K from the experimental values. This is in good agreement with the deviation of 3.15 K between the prediction of TIP4P/Ice water force field used and the experimental melting temperature of ice Ih. The current results offer the most consistent and accurate predictions from MD simulation for the determination of T{sub 3} of methane hydrates. Methane solubility values are also calculated at the predicted equilibrium conditions and are found in good agreement with continuum-scale models.

  3. A rec(4) dup 4p inherited from a maternal inv(4)(p15q35): case report and review.

    Science.gov (United States)

    Garcia-Heras, Jaime; Martin, Judith

    2002-05-01

    A rec(4) dup 4p inherited from a maternal inv(4)(p15q35) was detected in a four-year-old girl with malformations, developmental delay, and behavioral problems that resemble those for trisomy 4p. A review of eight other liveborns with rec(4) dup 4p shows that about 40% of them also have manifestations in common with trisomy 4p, but the rest have a variable spectrum of malformations. Overall, the rec(4) dup 4p phenotype is not specific, and a diagnosis would not have been feasible without cytogenetic studies. This lack of a clinically recognizable phenotype could reflect the effects of the variable sizes of deletions of 4q, molecular differences in the break points, or the known variable expression of trisomy 4p. The fact that 79% of the recombinants in the offspring of inv(4)(p13-p15q35) carriers are rec(4) dup 4p suggests that meiotic recombination favors its generation or that rec(4) dup 4q are more lethal in utero. Copyright 2002 Wiley-Liss, Inc.

  4. Prediction of pH and color in pork meat using VIS-NIR Near-infrared Spectroscopy (NIRS

    Directory of Open Access Journals (Sweden)

    Elton Jhones Granemann FURTADO

    2018-06-01

    Full Text Available Abstract The potential of near-infrared spectroscopy (NIRS to predict the physicochemical characteristics of the porcine longissimus dorsi (LD muscle was evaluated in comparison to the standard methods of pH and color for meat quality analysis compared to the pH results with Colorimeter and pH meter. Spectral information from each sample (n = 77 was obtained as the average of 32 successive scans acquired over a spectral range from 400 - 2498 nm with a 2 - nm gap for calibration and validation models. Partial least squares (PLS regression was used for each individual model. An R2 and a residual predictive deviation (RPD of 0.67/1.7, 0.86/2, and 0.76/1.9 were estimated for color parameters L*, a *, and b*, respectively. Final pH had an R2 of 0.67 and a RPD of 1.6. NIRS showed great potential to predict color parameter a * of porcine LD muscle. Further studies with larger samples should help improve model quality.

  5. Advanced ceramic material for high temperature turbine tip seals

    Science.gov (United States)

    Solomon, N. G.; Vogan, J. W.

    1978-01-01

    Ceramic material systems are being considered for potential use as turbine blade tip gas path seals at temperatures up to 1370 1/4 C. Silicon carbide and silicon nitride structures were selected for study since an initial analysis of the problem gave these materials the greatest potential for development into a successful materials system. Segments of silicon nitride and silicon carbide materials over a range of densities, processed by various methods, a honeycomb structure of silicon nitride and ceramic blade tip inserts fabricated from both materials by hot pressing were tested singly and in combination. The evaluations included wear under simulated engine blade tip rub conditions, thermal stability, impact resistance, machinability, hot gas erosion and feasibility of fabrication into engine components. The silicon nitride honeycomb and low-density silicon carbide using a selected grain size distribution gave the most promising results as rub-tolerant shroud liners. Ceramic blade tip inserts made from hot-pressed silicon nitride gave excellent test results. Their behavior closely simulated metal tips. Wear was similar to that of metals but reduced by a factor of six.

  6. Transjugular Intrahepatic Portosystemic Shunt (TIPS)

    Medline Plus

    Full Text Available ... the liver). Portal hypertension can also occur in children, although children are much less likely to require a TIPS. ... intentionally to solve the problem. Although extremely rare, children may also require a TIPS procedure. TIPS in ...

  7. Prediction Model for Gastric Cancer Incidence in Korean Population.

    Directory of Open Access Journals (Sweden)

    Bang Wool Eom

    Full Text Available Predicting high risk groups for gastric cancer and motivating these groups to receive regular checkups is required for the early detection of gastric cancer. The aim of this study is was to develop a prediction model for gastric cancer incidence based on a large population-based cohort in Korea.Based on the National Health Insurance Corporation data, we analyzed 10 major risk factors for gastric cancer. The Cox proportional hazards model was used to develop gender specific prediction models for gastric cancer development, and the performance of the developed model in terms of discrimination and calibration was also validated using an independent cohort. Discrimination ability was evaluated using Harrell's C-statistics, and the calibration was evaluated using a calibration plot and slope.During a median of 11.4 years of follow-up, 19,465 (1.4% and 5,579 (0.7% newly developed gastric cancer cases were observed among 1,372,424 men and 804,077 women, respectively. The prediction models included age, BMI, family history, meal regularity, salt preference, alcohol consumption, smoking and physical activity for men, and age, BMI, family history, salt preference, alcohol consumption, and smoking for women. This prediction model showed good accuracy and predictability in both the developing and validation cohorts (C-statistics: 0.764 for men, 0.706 for women.In this study, a prediction model for gastric cancer incidence was developed that displayed a good performance.

  8. Femtosecond laser micromachining of compound parabolic concentrator fiber tipped glucose sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Lacraz, Amédée; Kalli, Kyriacos

    2017-01-01

    We report on highly accurate femtosecond (fs) laser micromachining of a compound parabolic concentrator (CPC) fiber tip on a polymer optical fiber (POF). The accuracy is reflected in an unprecedented correspondence between the numerically predicted and experimentally found improvement in fluoresc...

  9. Descriptive and predictive evaluation of high resolution Markov chain precipitation models

    DEFF Research Database (Denmark)

    Sørup, Hjalte Jomo Danielsen; Madsen, Henrik; Arnbjerg-Nielsen, Karsten

    2012-01-01

    A time series of tipping bucket recordings of very high temporal and volumetric resolution precipitation is modelled using Markov chain models. Both first and second‐order Markov models as well as seasonal and diurnal models are investigated and evaluated using likelihood based techniques. The fi...

  10. Risk terrain modeling predicts child maltreatment.

    Science.gov (United States)

    Daley, Dyann; Bachmann, Michael; Bachmann, Brittany A; Pedigo, Christian; Bui, Minh-Thuy; Coffman, Jamye

    2016-12-01

    As indicated by research on the long-term effects of adverse childhood experiences (ACEs), maltreatment has far-reaching consequences for affected children. Effective prevention measures have been elusive, partly due to difficulty in identifying vulnerable children before they are harmed. This study employs Risk Terrain Modeling (RTM), an analysis of the cumulative effect of environmental factors thought to be conducive for child maltreatment, to create a highly accurate prediction model for future substantiated child maltreatment cases in the City of Fort Worth, Texas. The model is superior to commonly used hotspot predictions and more beneficial in aiding prevention efforts in a number of ways: 1) it identifies the highest risk areas for future instances of child maltreatment with improved precision and accuracy; 2) it aids the prioritization of risk-mitigating efforts by informing about the relative importance of the most significant contributing risk factors; 3) since predictions are modeled as a function of easily obtainable data, practitioners do not have to undergo the difficult process of obtaining official child maltreatment data to apply it; 4) the inclusion of a multitude of environmental risk factors creates a more robust model with higher predictive validity; and, 5) the model does not rely on a retrospective examination of past instances of child maltreatment, but adapts predictions to changing environmental conditions. The present study introduces and examines the predictive power of this new tool to aid prevention efforts seeking to improve the safety, health, and wellbeing of vulnerable children. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  11. The contribution of atom accessibility to site of metabolism models for cytochromes P450

    DEFF Research Database (Denmark)

    Rydberg, Patrik; Rostkowski, M.; Gloriam, D.E.

    2013-01-01

    Three different types of atom accessibility descriptors are investigated in relation to site of metabolism predictions. To enable the integration of local accessibility we have constructed 2DSASA, a method for the calculation of the atomic solvent accessible surface area that is independent of 3D...... coordinates. The method was implemented in the SMARTCyp site of metabolism prediction models and improved the results by up to 4 percentage points for nine cytochrome P450 isoforms. The final models are made available at http://www.farma.ku.dk/smartcyp.......Three different types of atom accessibility descriptors are investigated in relation to site of metabolism predictions. To enable the integration of local accessibility we have constructed 2DSASA, a method for the calculation of the atomic solvent accessible surface area that is independent of 3D...

  12. Tip off the HAT- Epigenetic control of learning and memory by Drosophila Tip60.

    Science.gov (United States)

    Xu, Songjun; Elefant, Felice

    2015-01-01

    Disruption of epigenetic gene control mechanisms involving histone acetylation in the brain causes cognitive impairment, a debilitating hallmark of most neurodegenerative disorders. Histone acetylation regulates cognitive gene expression via chromatin packaging control in neurons. Unfortunately, the histone acetyltransferases (HATs) that generate such neural epigenetic signatures and their mechanisms of action remain unclear. Our recent findings provide insight into this question by demonstrating that Tip60 HAT action is critical for morphology and function of the mushroom body (MB), the learning and memory center in the Drosophila brain. We show that Tip60 is robustly produced in MB Kenyon cells and extending axonal lobes and that targeted MB Tip60 HAT loss results in axonal outgrowth disruption. Functional consequences of loss and gain of Tip60 HAT levels in the MB are evidenced by defects in memory. Tip60 ChIP-Seq analysis reveals enrichment for genes that function in cognitive processes and accordingly, key genes representing these pathways are misregulated in the Tip60 HAT mutant fly brain. Remarkably, increasing levels of Tip60 in the MB rescues learning and memory deficits resulting from Alzheimer's disease associated amyloid precursor protein (APP) induced neurodegeneration. Our studies highlight the potential of HAT activators as a therapeutic option for cognitive disorders.

  13. A numerical study of non-linear crack tip parameters

    Directory of Open Access Journals (Sweden)

    F.V. Antunes

    2015-07-01

    Full Text Available Crack closure concept has been widely used to explain different issues of fatigue crack propagation. However, different authors have questioned the relevance of crack closure and have proposed alternative concepts. The main objective here is to check the effectiveness of crack closure concept by linking the contact of crack flanks with non-linear crack tip parameters. Accordingly, 3D-FE numerical models with and without contact were developed for a wide range of loading scenarios and the crack tip parameters usually linked to fatigue crack growth, namely range of cyclic plastic strain, crack tip opening displacement, size of reversed plastic zone and total plastic dissipation per cycle, were investigated. It was demonstrated that: i LEFM concepts are applicable to the problem under study; ii the crack closure phenomenon has a great influence on crack tip parameters decreasing their values; iii the Keff concept is able to explain the variations of crack tip parameters produced by the contact of crack flanks; iv the analysis of remote compliance is the best numerical parameter to quantify the crack opening level; v without contact there is no effect of stress ratio on crack tip parameters. Therefore it is proved that the crack closure concept is valid.

  14. Total Telephone Tips.

    Science.gov (United States)

    Corder, Lloyd E.; And Others

    This manual of telephone behavior tips for business and sales professionals offers ways to handle the disgruntled caller and makes suggestions on topics relevant to the telephone. The manual is divided into the following sections and subsections: (1) Common Courtesy (staff tips, answering the telephone, screening calls, transferring calls, taking…

  15. Tip Vortex and Wake Characteristics of a Counterrotating Open Rotor

    Science.gov (United States)

    VanZante, Dale E.; Wernet, Mark P.

    2012-01-01

    One of the primary noise sources for Open Rotor systems is the interaction of the forward rotor tip vortex and blade wake with the aft rotor. NASA has collaborated with General Electric on the testing of a new generation of low noise, counterrotating Open Rotor systems. Three-dimensional particle image velocimetry measurements were acquired in the intra-rotor gap of the Historical Baseline blade set. The velocity measurements are of sufficient resolution to characterize the tip vortex size and trajectory as well as the rotor wake decay and turbulence character. The tip clearance vortex trajectory is compared to results from previously developed models. Forward rotor wake velocity profiles are shown. Results are presented in a form as to assist numerical modeling of Open Rotor system aerodynamics and acoustics.

  16. Single macroscopic pillars as model system for bioinspired adhesives: influence of tip dimension, aspect ratio, and tilt angle.

    Science.gov (United States)

    Micciché, Maurizio; Arzt, Eduard; Kroner, Elmar

    2014-05-28

    The goal of our study is to better understand the design parameters of bioinspired dry adhesives inspired by geckos. For this, we fabricated single macroscopic pillars of 400 μm diameter with different aspect ratios and different tip shapes (i.e., flat tips, spherical tips with different radii, and mushroom tips with different diameters). Tilt-angle-dependent adhesion measurements showed that although the tip shape of the pillars strongly influences the pull-off force, the pull-off strength is similar for flat and mushroom-shaped tips. We found no tilt-angle dependency of adhesion for spherical tip structures and, except for high tilt angle and low preload experiments, no tilt-angle effect for mushroom-tip pillars. For flat-tip pillars, we found a strong influence of tilt angle on adhesion, which decreased linearly with increasing aspect ratio. The experiments show that for the tested aspect ratios between 1 and 5, a linear decrease of tilt-angle dependency is found. The results of our studies will help to design bioinspired adhesives for application on smooth and rough surfaces.

  17. Selection of appropriate end-points (pCR vs 2yDFS) for tailoring treatments with prediction models in locally advanced rectal cancer

    International Nuclear Information System (INIS)

    Valentini, Vincenzo; Stiphout, Ruud G.P.M. van; Lammering, Guido; Gambacorta, Maria A.; Barba, Maria C.; Bebenek, Marek; Bonnetain, Franck; Bosset, Jean F.; Bujko, Krzysztof; Cionini, Luca; Gerard, Jean P.; Rödel, Claus; Sainato, Aldo; Sauer, Rolf; Minsky, Bruce D.; Collette, Laurence; Lambin, Philippe

    2015-01-01

    Purpose: Personalized treatments based on predictions for patient outcome require early characterization of a rectal cancer patient’s sensitivity to treatment. This study has two aims: (1) identify the main patterns of recurrence and response to the treatments (2) evaluate pathologic complete response (pCR) and two-year disease-free survival (2yDFS) for overall survival (OS) and their potential to be relevant intermediate endpoints to predict. Methods: Pooled and treatment subgroup analyses were performed on five large European rectal cancer trials (2795 patients), who all received long-course radiotherapy with or without concomitant and/or adjuvant chemotherapy. The ratio of distant metastasis (DM) and local recurrence (LR) rates was used to identify patient characteristics that increase the risk of recurrences. Findings: The DM/LR ratio decreased to a plateau in the first 2 years, revealing it to be a critical follow-up period. According to the patterns of recurrences, three patient groups were identified: 5–15% had pCR and were disease free after 2 years (excellent prognosis), 65–75% had no pCR but were disease free (good prognosis) and 15–30% had neither pCR nor 2yDFS (poor prognosis). Interpretation: Compared with pCR, 2yDFS is a stronger predictor of OS. To adapt treatment most efficiently, accurate prediction models should be developed for pCR to select patients for organ preservation and for 2yDFS to select patients for more intensified treatment strategies

  18. Tip clearance effect on through-flow and performance of a centrifugal compressor

    International Nuclear Information System (INIS)

    Eum, Hark Jin; Kang, Young Seok; Kang, Shin Hyoung

    2004-01-01

    Numerical simulations have been performed to investigate tip clearance effect on through-flow and performance of a centrifugal compressor which has the same configuration of impeller with six different tip clearances. Secondary flow and loss distribution have been surveyed to understand the flow mechanism due to the tip clearance. Tip leakage flow strongly interacts with mainstream flow and considerably changes the secondary flow and the loss distribution inside the impeller passage. A method has been described to quantitatively estimate the tip clearance effect on the performance drop and the efficiency drop. The tip clearance has caused specific work reduction and additional entropy generation. The former, which is called inviscid loss, is independent of any internal loss and the latter, which is called viscous loss, is dependent on every loss in the flow passage. Two components equally affected the performance drop as the tip clearances were small, while the efficiency drop was influenced by the viscous component alone. The additional entropy generation was modeled with all the kinetic energy of the tip leakage flow. Therefore, the present paper can provide how to quantitatively estimate the tip clearance effect on the performance and efficiency

  19. Preoperative prediction model of outcome after cholecystectomy for symptomatic gallstones

    DEFF Research Database (Denmark)

    Borly, L; Anderson, I B; Bardram, L

    1999-01-01

    and sonography evaluated gallbladder motility, gallstones, and gallbladder volume. Preoperative variables in patients with or without postcholecystectomy pain were compared statistically, and significant variables were combined in a logistic regression model to predict the postoperative outcome. RESULTS: Eighty...... and by the absence of 'agonizing' pain and of symptoms coinciding with pain (P model 15 of 18 predicted patients had postoperative pain (PVpos = 0.83). Of 62 patients predicted as having no pain postoperatively, 56 were pain-free (PVneg = 0.90). Overall accuracy...... was 89%. CONCLUSION: From this prospective study a model based on preoperative symptoms was developed to predict postcholecystectomy pain. Since intrastudy reclassification may give too optimistic results, the model should be validated in future studies....

  20. Predicting pKa for proteins using COSMO-RS

    DEFF Research Database (Denmark)

    Andersson, Martin Peter; Jensen, Jan Halborg; Stipp, Susan Louise Svane

    2013-01-01

    We have used the COSMO-RS implicit solvation method to calculate the equilibrium constants, pKa, for deprotonation of the acidic residues of the ovomucoid inhibitor protein, OMTKY3. The root mean square error for comparison with experimental data is only 0.5 pH units and the maximum error 0.8 p......H units. The results show that the accuracy of pKa prediction using COSMO-RS is as good for large biomolecules as it is for smaller inorganic and organic acids and that the method compares very well to previous pKa predictions of the OMTKY3 protein using Quantum Mechanics/Molecular Mechanics. Our approach...