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Sample records for iii model fw600

  1. MODELING NATURAL ATTENUATION OF FUELS WITH BIOPLUME III

    Science.gov (United States)

    A natural attenuation model that simulates the aerobic and anaerobic biodegradation of fuel hydrocarbons was developed. The resulting model, BIOPLUME III, demonstrates the importance of biodegradation in reducing contaminant concentrations in ground water. In hypothetical simulat...

  2. Parameter Estimation for the Thurstone Case III Model.

    Science.gov (United States)

    Mackay, David B.; Chaiy, Seoil

    1982-01-01

    The ability of three estimation criteria to recover parameters of the Thurstone Case V and Case III models from comparative judgment data was investigated via Monte Carlo techniques. Significant differences in recovery are shown to exist. (Author/JKS)

  3. Recovery boiler model; Soodakattilan kehitystyoe III

    Energy Technology Data Exchange (ETDEWEB)

    Janka, K.; Ylitalo, M.; Sundstroem, K.; Helke, R.; Heinola, M. [Kvaerner Pulping Oy, Tampere (Finland)

    1997-10-01

    The recovery boiler model was further tested and developed. At this moment the model includes submodels for: droplet drying, pyrolysis, char burning, gas burning and for droplet trajectory. During 1996 the formation of CH{sub 4} during pyrolysis and release of sulfur was included to the model. Further the formation of NO from fuel nitrogen and formation of thermal- NO were included to the model using Arrhenius type reaction rate equations. The calculated results are realistic and the model is used as a tool to find out methods to increase the efficiency and availability and decrease the emissions. Analysing the results of the earlier field study of 8 boilers showed that the furnace heat load, fuming rate, find the black liquor composition have influence on the enrichment of the potassium to the fly ash. (orig.)

  4. STUDY OF NEUROSES: III AN EMPIRICAL MODEL*

    OpenAIRE

    Bhatti, Ranbir S.; Channabasavanna, S.M.

    1986-01-01

    SUMMARY The empirical model presented in this paper is based on observations made on 60 neurotics and 60 normals matched at the individual level. Efforts are made to use the systems approach to present this paradigm synthesising both individual and environmental resources. We are of the opinion that this model is not only useful in understanding the genesis of neuroses rather has utility at the intervention level as well.

  5. Thermal Modeling Method Improvements for SAGE III on ISS

    Science.gov (United States)

    Liles, Kaitlin; Amundsen, Ruth; Davis, Warren; McLeod, Shawn

    2015-01-01

    The Stratospheric Aerosol and Gas Experiment III (SAGE III) instrument is the fifth in a series of instruments developed for monitoring aerosols and gaseous constituents in the stratosphere and troposphere. SAGE III will be delivered to the International Space Station (ISS) via the SpaceX Dragon vehicle. A detailed thermal model of the SAGE III payload, which consists of multiple subsystems, has been developed in Thermal Desktop (TD). Many innovative analysis methods have been used in developing this model; these will be described in the paper. This paper builds on a paper presented at TFAWS 2013, which described some of the initial developments of efficient methods for SAGE III. The current paper describes additional improvements that have been made since that time. To expedite the correlation of the model to thermal vacuum (TVAC) testing, the chambers and GSE for both TVAC chambers at Langley used to test the payload were incorporated within the thermal model. This allowed the runs of TVAC predictions and correlations to be run within the flight model, thus eliminating the need for separate models for TVAC. In one TVAC test, radiant lamps were used which necessitated shooting rays from the lamps, and running in both solar and IR wavebands. A new Dragon model was incorporated which entailed a change in orientation; that change was made using an assembly, so that any potential additional new Dragon orbits could be added in the future without modification of the model. The Earth orbit parameters such as albedo and Earth infrared flux were incorporated as time-varying values that change over the course of the orbit; despite being required in one of the ISS documents, this had not been done before by any previous payload. All parameters such as initial temperature, heater voltage, and location of the payload are defined based on the case definition. For one component, testing was performed in both air and vacuum; incorporating the air convection in a submodel that was

  6. Yunnan-III models for Evolutionary population synthesis

    CERN Document Server

    Zhang, F; Han, Z; Zhuang, Y; Kang, X

    2012-01-01

    We build the Yunnan-III evolutionary population synthesis (EPS) models by using the MESA stellar evolution code, BaSeL stellar spectra library and the initial mass functions (IMFs) of Kroupa and Salpeter, and present colours and integrated spectral energy distributions (ISEDs) of solar-metallicity stellar populations (SPs) in the range of 1Myr-15 Gyr. The main characteristic of the Yunnan-III EPS models is the usage of a set of self-consistent solar-metallicity stellar evolutionary tracks (the masses of stars are from 0.1 to 100Msun). This set of tracks is obtained by using the state-of-the-art MESA code. MESA code can evolve stellar models through thermally pulsing asymptotic giant branch (TP-AGB) phase for low- and intermediate-mass stars. By comparisons, we confirm that the inclusion of TP-AGB stars make the V-K, V-J and V-R colours of SPs redder and the infrared flux larger at ages log(t/yr)>7.6 (the differences reach the maximum at log(t/yr)~8.6, ~0.5-0.2mag for colours, ~2 times for K-band flux). The st...

  7. Hydroxo-bridged dicopper(II,III) and -(III,III) complexes: models for putative intermediates in oxidation catalysis.

    Science.gov (United States)

    Halvagar, Mohammad Reza; Solntsev, Pavlo V; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O; Solomon, Edward I; Cramer, Christopher J; Tolman, William B

    2014-05-21

    A macrocyclic ligand (L(4-)) comprising two pyridine(dicarboxamide) donors was used to target reactive copper species relevant to proposed intermediates in catalytic hydrocarbon oxidations by particulate methane monooxygenase and heterogeneous zeolite systems. Treatment of LH4 with base and Cu(OAc)2·H2O yielded (Me4N)2[L2Cu4(μ4-O)] (1) or (Me4N)[LCu2(μ-OH)] (2), depending on conditions. Complex 2 was found to undergo two reversible 1-electron oxidations via cyclic voltammetry and low-temperature chemical reactions. On the basis of spectroscopy and theory, the oxidation products were identified as novel hydroxo-bridged mixed-valent Cu(II)Cu(III) and symmetric Cu(III)2 species, respectively, that provide the first precedence for such moieties as oxidation catalysis intermediates.

  8. Eu(III) adsorption on rutile:Batch experiments and modeling

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Eu(III) adsorption on rutile was investigated as a function of contact time,pH,ionic strength and Eu(III) concentration by using a batch experimental method.The effects of carbonate,sulfate,and phosphate were also studied.It was found that the kinetics of Eu(III) adsorption on rutile could be described by a pseudo-second-order model.The adsorption of Eu(III) on rutile is strongly pH-dependent,but relatively insensitive to ionic strength.A double layer model (DLM) with two inner-sphere Eu(III) surface complexes was applied to quantitatively interpret the adsorption of Eu(III) on rutile.There were no apparent effects of carbonate and sulfate on Eu(III) adsorption,whereas the presence of phosphate promoted Eu(III) adsorption on rutile.The surface complexes of Eu(III) on rutile were evidenced by X-ray photoelectron spectroscopy (XPS).

  9. Modeling the Evolution of Incised Streams: III. Model Application

    Science.gov (United States)

    Incision and ensuing widening of alluvial stream channels is widespread in the midsouth and midwestern United States and represents an important form of channel adjustment. Two accompanying papers have presented a robust computational model for simulating the long-term evolution of incised and resto...

  10. Yunnan-III models for evolutionary population synthesis

    Science.gov (United States)

    Zhang, F.; Li, L.; Han, Z.; Zhuang, Y.; Kang, X.

    2013-02-01

    We build the Yunnan-III evolutionary population synthesis (EPS) models by using the mesa stellar evolution code, BaSeL stellar spectra library and the initial mass functions (IMFs) of Kroupa and Salpeter, and present colours and integrated spectral energy distributions (ISEDs) of solar-metallicity stellar populations (SPs) in the range of 1 Myr to 15 Gyr. The main characteristic of the Yunnan-III EPS models is the usage of a set of self-consistent solar-metallicity stellar evolutionary tracks (the masses of stars are from 0.1 to 100 M⊙). This set of tracks is obtained by using the state-of-the-art mesa code. mesa code can evolve stellar models through thermally pulsing asymptotic giant branch (TP-AGB) phase for low- and intermediate-mass stars. By comparisons, we confirm that the inclusion of TP-AGB stars makes the V - K, V - J and V - R colours of SPs redder and the infrared flux larger at ages log(t/yr) ≳ 7.6 [the differences reach the maximum at log(t/yr) ˜ 8.6, ˜0.5-0.2 mag for colours, approximately two times for K-band flux]. We also find that the colour-evolution trends of Model with-TPAGB at intermediate and large ages are similar to those from the starburst99 code, which employs the Padova-AGB stellar library, BaSeL spectral library and the Kroupa IMF. At last, we compare the colours with the other EPS models comprising TP-AGB stars (such as CB07, M05, V10 and POPSTAR), and find that the B - V colour agrees with each other but the V-K colour shows a larger discrepancy among these EPS models [˜1 mag when 8 ≲ log(t/yr) ≲ 9]. The stellar evolutionary tracks, isochrones, colours and ISEDs can be obtained on request from the first author or from our website (http://www1.ynao.ac.cn/~zhangfh/). Using the isochrones, you can build your EPS models. Now the format of stellar evolutionary tracks is the same as that in the starburst99 code; you can put them into the starburst99 code and get the SP's results. Moreover, the colours involving other passbands

  11. A binuclear Fe(III)Dy(III) single molecule magnet. Quantum effects and models.

    Science.gov (United States)

    Ferbinteanu, Marilena; Kajiwara, Takashi; Choi, Kwang-Yong; Nojiri, Hiroyuki; Nakamoto, Akio; Kojima, Norimichi; Cimpoesu, Fanica; Fujimura, Yuichi; Takaishi, Shinya; Yamashita, Masahiro

    2006-07-19

    The binuclear [FeIII(bpca)(mu-bpca)Dy(NO3)4], having Single Molecule Magnet (SMM) properties, belonging to a series of isostructural FeIIILnIII complexes (Ln = Eu, Gd, Tb, Dy, Ho) and closely related FeIILnIII chain structures, was characterized in concise experimental and theoretical respects. The low temperature magnetization data showed hysteresis and tunneling. The anomalous temperature dependence of Mössbauer spectra is related to the onset of magnetic order, consistent with the magnetization relaxation time scale resulting from AC susceptibility measurements. The advanced ab initio calculations (CASSCF and spin-orbit) revealed the interplay of ligand field, spin-orbit, and exchange effects and probed the effective Ising nature of the lowest states, involved in the SMM and tunneling effects.

  12. The MAPPINGS III Library of Fast Radiative Shock Models

    CERN Document Server

    Allen, Mark G; Dopita, Michael A; Sutherland, Ralph S; Kewley, Lisa J

    2008-01-01

    We present a new library of fully-radiative shock models calculated with the MAPPINGS III shock and photoionization code. The library consists of grids of models with shock velocities in the range v=100-1000 km/s and magnetic parameters B/sqrt(n) of 10^-4 - 10 muG cm^(3/2) for five different atomic abundance sets, and for a pre-shock density of 1.0 cm^(-3). Additionally, Solar abundance model grids have been calculated for densities of 0.01, 0.1, 10, 100, and 1000 cm^(-3) with the same range in v and B/sqrt(n). Each model includes components of both the radiative shock and its photoionized precursor, ionized by the EUV and soft X-ray radiation generated in the radiative gas. We present the details of the ionization structure, the column densities, and the luminosities of the shock and its precursor. Emission line ratio predictions are separately given for the shock and its precursor as well as for the composite shock+precursor structure to facilitate comparison with observations in cases where the shock and i...

  13. Radiative Type III Seesaw Model and its collider phenomenology

    CERN Document Server

    von der Pahlen, Federico; Restrepo, Diego; Zapata, Oscar

    2016-01-01

    We analyze the present bounds of a scotogenic model, the Radiative Type III Seesaw (RSIII), in which an additional scalar doublet and at least two fermion triplets of $SU(2)_L$ are added to the Standard Model (SM). In the RSIII the new physics (NP) sector is odd under an exact global $Z_2$ symmetry. This symmetry guaranties that the lightest NP neutral particle is stable, providing a natural dark matter (DM) candidate, and leads to naturally suppressed neutrino masses generated by a one-loop realization of an effective Weinberg operator. We focus on the region with the highest sensitivity in present and future LHC searches, with light scalar DM and at least one NP fermion triplet at the sub-TeV scale. This region allows for significant production cross-sections of NP fermion pairs at the LHC. We reinterpret a set of searches for supersymmetric particles at the LHC obtained using the package CheckMATE, to set limits on our model as a function of the masses of the NP particles and their Yukawa interactions. The...

  14. Photoionization Models for the Semi-Forbidden C III] 1909 Emission in Star-Forming Galaxies

    CERN Document Server

    Jaskot, Anne

    2016-01-01

    The increasing neutrality of the intergalactic medium at z>6 suppresses Ly-alpha emission, and spectroscopic confirmation of galaxy redshifts requires detecting alternative UV lines. The strong [C III] 1907 + C III] 1909 doublet frequently observed in low-metallicity, actively star-forming galaxies is a promising emission feature. We present CLOUDY photoionization model predictions for C III] equivalent widths (EWs) and line ratios as a function of starburst age, metallicity, and ionization parameter. Our models include a range of C/O abundances, dust content, and gas density. We also examine the effects of varying the nebular geometry and optical depth. Only the stellar models that incorporate binary interaction effects reproduce the highest observed C III] EWs. The spectral energy distributions from the binary stellar population models also generate observable C III] over a longer timescale relative to single-star models. We show that diagnostics using C III] and nebular He II 1640 can separate star-forming...

  15. Reduction of Fe(III) colloids by Shewanella putrefaciens: A kinetic model

    Science.gov (United States)

    Bonneville, Steeve; Behrends, Thilo; van Cappellen, Philippe; Hyacinthe, Christelle; Röling, Wilfred F. M.

    2006-12-01

    A kinetic model for the microbial reduction of Fe(III) oxyhydroxide colloids in the presence of excess electron donor is presented. The model assumes a two-step mechanism: (1) attachment of Fe(III) colloids to the cell surface and (2) reduction of Fe(III) centers at the surface of attached colloids. The validity of the model is tested using Shewanella putrefaciens and nanohematite as model dissimilatory iron reducing bacteria and Fe(III) colloidal particles, respectively. Attachment of nanohematite to the bacteria is formally described by a Langmuir isotherm. Initial iron reduction rates are shown to correlate linearly with the relative coverage of the cell surface by nanohematite particles, hence supporting a direct electron transfer from membrane-bound reductases to mineral particles attached to the cells. Using internally consistent parameter values for the maximum attachment capacity of Fe(III) colloids to the cells, Mmax, the attachment constant, KP, and the first-order Fe(III) reduction rate constant, k, the model reproduces the initial reduction rates of a variety of fine-grained Fe(III) oxyhydroxides by S. putrefaciens. The model explains the observed dependency of the apparent Fe(III) half-saturation constant, Km∗, on the solid to cell ratio, and it predicts that initial iron reduction rates exhibit saturation with respect to both the cell density and the abundance of the Fe(III) oxyhydroxide substrate.

  16. Perbedaan Perubahan Dimensi pada Gipsum Tipe III Komersial Dengan Gipsum Tipe III Daur Ulang Sebagai Bahan Model Kerja Gigitiruan

    OpenAIRE

    Hutasoit, Sri Dewi

    2014-01-01

    Gipsum dalam kedokteran gigi dapat diklasifikasikan menjadi lima tipe sesuai dengan spesifikasi ADA (American Dental Association) No. 25 yaitu tipe I Impression Plaster, tipe II Model Plaster, tipe III Dental Stone, tipe IV Die Stone: High Strength, dan tipe V Die Stone: High Strength, High Expansion.6,7 Pada dasarnya semua jenis gipsum yang digunakan memiliki senyawa dasar yang sama yaitu kalsium sulfat hemihidrat (CaSO4.½ H2O) yang membedakannya adalah metode yang dilakuka...

  17. National Utility Financial Statement model (NUFS). Volume III of III: software description. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1981-10-29

    This volume contains a description of the software comprising the National Utility Financial Statement Model (NUFS). This is the third of three volumes describing NUFS provided by ICF Incorporated under contract DEAC-01-79EI-10579. The three volumes are entitled: model overview and description, user's guide, and software guide.

  18. Correleation of the SAGE III on ISS Thermal Models in Thermal Desktop

    Science.gov (United States)

    Amundsen, Ruth M.; Davis, Warren T.; Liles, Kaitlin, A. K.; McLeod, Shawn C.

    2017-01-01

    The Stratospheric Aerosol and Gas Experiment III (SAGE III) instrument is the fifth in a series of instruments developed for monitoring aerosols and gaseous constituents in the stratosphere and troposphere. SAGE III was launched on February 19, 2017 and mounted to the International Space Station (ISS) to begin its three-year mission. A detailed thermal model of the SAGE III payload, which consists of multiple subsystems, has been developed in Thermal Desktop (TD). Correlation of the thermal model is important since the payload will be expected to survive a three-year mission on ISS under varying thermal environments. Three major thermal vacuum (TVAC) tests were completed during the development of the SAGE III Instrument Payload (IP); two subsystem-level tests and a payload-level test. Additionally, a characterization TVAC test was performed in order to verify performance of a system of heater plates that was designed to allow the IP to achieve the required temperatures during payload-level testing; model correlation was performed for this test configuration as well as those including the SAGE III flight hardware. This document presents the methods that were used to correlate the SAGE III models to TVAC at the subsystem and IP level, including the approach for modeling the parts of the payload in the thermal chamber, generating pre-test predictions, and making adjustments to the model to align predictions with temperatures observed during testing. Model correlation quality will be presented and discussed, and lessons learned during the correlation process will be shared.

  19. Wind waves modelling on the water body with coupled WRF and WAVEWATCH III models

    Science.gov (United States)

    Kuznetsova, Alexandra; Troitskaya, Yuliya; Kandaurov, Alexander; Baydakov, Georgy; Vdovin, Maxim; Papko, Vladislav; Sergeev, Daniil

    2015-04-01

    Simulation of ocean and sea waves is an accepted instrument for the improvement of the weather forecasts. Wave modelling, coupled models modelling is applied to open seas [1] and is less developed for moderate and small inland water reservoirs and lakes, though being of considerable interest for inland navigation. Our goal is to tune the WAVEWATCH III model to the conditions of the inland reservoir and to carry out the simulations of surface wind waves with coupled WRF (Weather Research and Forecasting) and WAVEWATCH III models. Gorky Reservoir, an artificial lake in the central part of the Volga River formed by a hydroelectric dam, was considered as an example of inland reservoir. Comparing to [2] where moderate constant winds (u10 is up to 9 m/s) of different directions blowing steadily all over the surface of the reservoir were considered, here we apply atmospheric model WRF to get wind input to WAVEWATCH III. WRF computations were held on the Yellowstone supercomputer for 4 nested domains with minimum scale of 1 km. WAVEWATCH III model was tuned for the conditions of the Gorky Reservoir. Satellite topographic data on altitudes ranged from 56,6° N to 57,5° N and from 42.9° E to 43.5° E with increments 0,00833 ° in both directions was used. 31 frequencies ranged from 0,2 Hz to 4 Hz and 30 directions were considered. The minimal significant wave height was changed to the lower one. The waves in the model were developing from some initial seeding spectral distribution (Gaussian in frequency and space, cosine in direction). The range of the observed significant wave height in the numerical experiment was from less than 1 cm up to 30 cm. The field experiments were carried out in the south part of the Gorky reservoir from the boat [2, 3]. 1-D spectra of the field experiment were compared with those obtained in the numerical experiments with different parameterizations of flux provided in WAVEWATCH III both with constant wind input and WRF wind input. For all the

  20. Modeling rare earth complexes: Sparkle/AM1 parameters for thulium (III)

    Science.gov (United States)

    Freire, Ricardo O.; Rocha, Gerd B.; Simas, Alfredo M.

    2005-08-01

    The Sparkle/AM1 model, recently defined for Eu(III), Gd(III) and Tb(III) [R.O. Freire, G.B. Rocha, A.M., Simas, Inorg. Chem. 44 (2005) 3299], is extended to Tm(III). A set of 15 structures of high crystallographic quality from the Cambridge Crystallographic Database, with ligands chosen to be representative of all complexes with nitrogen or oxygen directly bonded to the Tm(III) ion, was used as a training set. For the 15 complexes, the Sparkle/AM1 unsigned mean error, for all interatomic distances between the Tm(III) ion and the oxygen or nitrogen ligand atoms of the first sphere of coordination, is 0.07 Å, a level of accuracy useful for luminescent complex design.

  1. Theoretical models of ferromagnetic III-V semiconductors

    OpenAIRE

    Jungwirth, T.; Sinova, Jairo; Kučera, J.; MacDonald, A. H.

    2002-01-01

    Recent materials research has advanced the maximum ferromagnetic transition temperature in semiconductors containing magnetic elements toward room temperature. Reaching this goal would make information technology applications of these materials likely. In this article we briefly review the status of work over the past five years which has attempted to achieve a theoretical understanding of these complex magnetic systems. The basic microscopic origins of ferromagnetism in the (III,Mn)V compoun...

  2. Revision of the high energy hadronic interaction models PHOJET/DPMJET-III

    CERN Document Server

    Fedynitch, A

    2015-01-01

    The high-energy hadronic interaction model DPMJET-III is responsible for simulating nuclear interactions in the particle simulation package FLUKA. On the level of individual nucleon interactions it employs PHOJET, which provides sophisticated forward physics and diffraction models. This paper summarizes some of the recent developments, in particular regarding minimum-bias physics at the LHC, which apply to DPMJET-III and PHOJET at the same time.

  3. Finite element modeling and experimental studies on mixed mode-I/III fracture specimens

    Directory of Open Access Journals (Sweden)

    M. Bozkurt

    2016-01-01

    Full Text Available In this study, finite element modeling and experimental studies on a mode-I/III specimen similar to the compact tension specimen are presented. By using bolts, the specimen is attached to two loading apparatus that allow different levels of mode-I/III loading by changing the loading holes. Specimens having two different thicknesses are analyzed and tested. Modeling, meshing and the solution of the problem involving the whole assembly, i.e., loading devices, bolts and the specimen, with contact mechanics are performed using ANSYSTM. Then, the mode-I/III specimen is analyzed separately using a submodeling approach, in which threedimensional enriched finite elements are used in FRAC3D solver to calculate the resulting stress intensity factors along the crack front. In all of the analyses, it is clearly shown that although the loading is in the mode-I and III directions, mode-II stress intensity factors coupled with mode-III are also generated due to rotational relative deformations of crack surfaces. The results show that the mode-II stress intensity factors change sign along the crack front and their magnitudes are close to the mode-III stress intensity factors. It is also seen that magnitudes of the mode-III stress intensity factors do not vary much along the crack front. Fracture experiments also performed and, using the stress intensity factors from the analyses and crack paths and surfaces are shown.

  4. Molecular modelling of a chemodosimeter for the selective detection of As(III) ion in water

    Indian Academy of Sciences (India)

    Sairam S Mallajosyula; Usha H; Ayan Datta; Swapan K Pati

    2008-11-01

    We have modelled for the first time a chemodosimeter for As(III) detection in water. The chemodosimeter modelled is a 1,3-dithiole-2-thione derivative with an anthracene unit which has been previously described as a chemodosimeter for Hg(II) detection. Quantum chemical calculations at the DFT level have been used to describe the binding energies and selectivity of the chemodosimeter. We find that the dosimeter action is intrinsically dependent on the thiophillic affinity and the coordination sphere of the metal ion. Binding studies for a series of metal ions: Pb(II), Cd(II), Hg(II), Ni(II) and As(III) followed by an analysis of the complete reaction pathway explains the high selectivity of the dosimeter towards As(III). The dosimeter efficiency is calculated as 66% for As(III)-ion.

  5. Rhode Island Model Evaluation & Support System: Teacher. Edition III

    Science.gov (United States)

    Rhode Island Department of Education, 2015

    2015-01-01

    Rhode Island educators believe that implementing a fair, accurate, and meaningful educator evaluation and support system will help improve teaching and learning. The primary purpose of the Rhode Island Model Teacher Evaluation and Support System (Rhode Island Model) is to help all teachers improve. Through the Model, the goal is to help create a…

  6. Tetranuclear {Co(II)2Co(III)2}, Octanuclear {Co(II)4Co(III)4}, and Hexanuclear {Co(III)3Dy(III)3} Pivalate Clusters: Synthesis, Magnetic Characterization, and Theoretical Modeling.

    Science.gov (United States)

    Radu, Ioana; Kravtsov, Victor Ch; Ostrovsky, Serghei M; Reu, Oleg S; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia; Klokishner, Sophia I; Baca, Svetlana G

    2017-03-06

    New tetranuclear and octanuclear mixed-valent cobalt(II/III) pivalate clusters, namely, [NaCo4(O2CCMe3)6(HO2CCMe3)2(teaH)2(N3)]·2H2O (in two polymorphic modifications, 1 and 1a) and [Co8(O2CCMe3)10(teaH)4(N3)](Me3CCO2)·MeCN·H2O (2) have been synthesized by ultrasonic treatment of a dinuclear cobalt(II) pivalate precursor with sodium azide and triethanolamine (teaH3) ligand in acetonitrile. The use of Dy(NO3)3·6H2O in a similar reaction led to the precipitation of a tetranuclear [NaCo4(O2CCMe3)4(teaH)2(N3)(NO3)2(H2O)2]·H2O (3) cluster and a heterometallic hexanuclear [Co3Dy3(OH)4(O2CCMe3)6(teaH)3(H2O)3](NO3)2·H2O (4) cluster. Single-crystal X-ray analysis showed that 1 (1a) and 3 consist of a tetranuclear pivalate/teaH3 mixed-ligand cluster [Co(II)2Co(III)2(O2CCMe3)4(teaH)2(N3)](+) decorated with sodium pivalates [Na(O2CCMe3)2(HO2CCMe3)2](-) (1 or 1a) or sodium nitrates [Na(NO3)2](-) (3) to form a square-pyramidal assembly. In 2, the cationic [Co8(O2CCMe3)10(teaH)4(N3)](+) cluster comprises a mixed-valent {Co(II)4Co(III)4} core encapsulated by an azide, 4 teaH(2-) alcoholamine ligands, and 10 bridging pivalates. Remarkably, in this core, the μ4-N3(-) ligand joins all four Co(II) atoms. The heterometallic hexanuclear compound 4 consists of a cationic [Co(III)3Dy(III)3(OH)4(O2CCMe3)6(teaH)3(H2O)3](2+) cluster, two NO3(-) anions, and a crystallization water molecule. The arrangement of metal atoms in 4 can be approximated as the assembly of a smaller equilateral triangle defined by three Dy sites with a Dy···Dy distance of 3.9 Å and a larger triangle formed by Co sites [Co···Co, 6.1-6.2 Å]. The interpretation of the magnetic properties of clusters 2-4 was performed in the framework of theoretical models, taking into account the structural peculiarities of clusters and their energy spectra. The behavior of clusters 2 and 3 containing Co(II) ions with orbitally nondegenerate ground states is determined by the zero-field splitting of these states and

  7. Rhode Island Model Evaluation & Support System: Building Administrator. Edition III

    Science.gov (United States)

    Rhode Island Department of Education, 2015

    2015-01-01

    Rhode Island educators believe that implementing a fair, accurate, and meaningful educator evaluation and support system will help improve teaching, learning, and school leadership. The primary purpose of the Rhode Island Model Building Administrator Evaluation and Support System (Rhode Island Model) is to help all building administrators improve.…

  8. Modeling of III-nitride light-emitting diodes: progress, problems, and perspectives

    Science.gov (United States)

    Karpov, Sergey Yu.

    2011-02-01

    Recent progress in III-nitride LED modeling is reviewed with the focus on physical models that provide a better understanding of such hot issues, as factors limiting the internal quantum efficiency of light emission and high-current efficiency droop, polarization doping in graded-composition III-nitride alloys and its utilization in LEDs, current crowding in LED dice and its impact on the light extraction efficiency, and optimal light conversion in white LED lamps. Specific features of III-nitride materials, their impact on the LED operation, and models accounting for these features are considered. Insufficient understanding of transport mechanisms of non-equilibrium electrons and holes and their localization in InGaN inhomogeneous active regions are discussed along with other still unsolved problems. Influence of technological factors on LED heterostructures and their operation is argued in the context of further model developments.

  9. Differential geometry based solvation model. III. Quantum formulation.

    Science.gov (United States)

    Chen, Zhan; Wei, Guo-Wei

    2011-11-21

    Solvation is of fundamental importance to biomolecular systems. Implicit solvent models, particularly those based on the Poisson-Boltzmann equation for electrostatic analysis, are established approaches for solvation analysis. However, ad hoc solvent-solute interfaces are commonly used in the implicit solvent theory. Recently, we have introduced differential geometry based solvation models which allow the solvent-solute interface to be determined by the variation of a total free energy functional. Atomic fixed partial charges (point charges) are used in our earlier models, which depends on existing molecular mechanical force field software packages for partial charge assignments. As most force field models are parameterized for a certain class of molecules or materials, the use of partial charges limits the accuracy and applicability of our earlier models. Moreover, fixed partial charges do not account for the charge rearrangement during the solvation process. The present work proposes a differential geometry based multiscale solvation model which makes use of the electron density computed directly from the quantum mechanical principle. To this end, we construct a new multiscale total energy functional which consists of not only polar and nonpolar solvation contributions, but also the electronic kinetic and potential energies. By using the Euler-Lagrange variation, we derive a system of three coupled governing equations, i.e., the generalized Poisson-Boltzmann equation for the electrostatic potential, the generalized Laplace-Beltrami equation for the solvent-solute boundary, and the Kohn-Sham equations for the electronic structure. We develop an iterative procedure to solve three coupled equations and to minimize the solvation free energy. The present multiscale model is numerically validated for its stability, consistency and accuracy, and is applied to a few sets of molecules, including a case which is difficult for existing solvation models. Comparison is made

  10. Measurement and modeling of advanced coal conversion processes, Volume III

    Energy Technology Data Exchange (ETDEWEB)

    Ghani, M.U.; Hobbs, M.L.; Hamblen, D.G. [and others

    1993-08-01

    A generalized one-dimensional, heterogeneous, steady-state, fixed-bed model for coal gasification and combustion is presented. The model, FBED-1, is a design and analysis tool that can be used to simulate a variety of gasification, devolatilization, and combustion processes. The model considers separate gas and solid temperatures, axially variable solid and gas flow rates, variable bed void fraction, coal drying, devolatilization based on chemical functional group composition, depolymerization, vaporization and crosslinking, oxidation, and gasification of char, and partial equilibrium in the gas phase.

  11. Scale invariant cosmology III: dynamical models and comparisons with observations

    CERN Document Server

    Maeder, Andre

    2016-01-01

    We examine the properties of the scale invariant cosmological models, also making the specific hypothesis of the scale invariance of the empty space at large scales. Numerical integrations of the cosmological equations for different values of the curvature parameter k and of the density parameter Omega_m are performed. We compare the dynamical properties of the models to the observations at different epochs. The main numerical data and graphical representations are given for models computed with different curvatures and density parameters. The models with non-zero density start explosively with first a braking phase followed by a continuously accelerating expansion. The comparison of the models with the recent observations from supernovae SN Ia, BAO and CMB data from Planck 2015 shows that the scale invariant model with k=0 and Omega_m=0.30 very well fits the observations in the usual Omega_m vs. Omega_Lambda plane and consistently accounts for the accelerating expansion or dark energy. The expansion history ...

  12. The joint WAIS-III and WMS-III factor structure: development and cross-validation of a six-factor model of cognitive functioning.

    Science.gov (United States)

    Tulsky, David S; Price, Larry R

    2003-06-01

    During the standardization of the Wechsler Adult Intelligence Scale (3rd ed.; WAIS-III) and the Wechsler Memory Scale (3rd ed.; WMS-III) the participants in the normative study completed both scales. This "co-norming" methodology set the stage for full integration of the 2 tests and the development of an expanded structure of cognitive functioning. Until now, however, the WAIS-III and WMS-III had not been examined together in a factor analytic study. This article presents a series of confirmatory factor analyses to determine the joint WAIS-III and WMS-III factor structure. Using a structural equation modeling approach, a 6-factor model that included verbal, perceptual, processing speed, working memory, auditory memory, and visual memory constructs provided the best model fit to the data. Allowing select subtests to load simultaneously on 2 factors improved model fit and indicated that some subtests are multifaceted. The results were then replicated in a large cross-validation sample (N = 858).

  13. The Instanton-Dyon Liquid Model III: Finite Chemical Potential

    CERN Document Server

    Liu, Yizhuang; Zahed, Ismail

    2016-01-01

    We discuss an extension of the instanton-dyon liquid model that includes light quarks at finite chemical potential in the center symmetric phase. We develop the model in details for the case of SU_c(2)\\times SU_f(2) by mapping the theory on a 3-dimensional quantum effective theory. We analyze the different phases in the mean-field approximation. We extend this analysis to the general case of SU_c(N_c)\\times SU_f(N_f) and note that the chiral and diquark pairings are always comparable.

  14. Perbedaan Kekuatan Kompresi Gips Tipe III Pabrikan dan Daur Ulang untuk Pembuatan Model Kerja

    OpenAIRE

    Wijaya, Cindy Denhara

    2015-01-01

    Gipsum (kalsium sulfat dihidrat) merupakan material yang sering digunakan sebagai model studi maupun model kerja dalam kedokteran gigi. Tipe gips yang sering digunakan sebagai model kerja ialah gips tipe III menurut spesifikasi American Dental Association (ADA). Reaksi pengerasan gipsum merupakan reaksi reversibel sehingga kalsium sulfat dihidrat dapat diubah kembali menjadi kalsium sulfat hemihidrat. Hal ini yang mendasari pemikiran untuk mendaur ulang limbah model kerja ya...

  15. Model validation studies of solar systems, Phase III. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Lantz, L.J.; Winn, C.B.

    1978-12-01

    Results obtained from a validation study of the TRNSYS, SIMSHAC, and SOLCOST solar system simulation and design are presented. Also included are comparisons between the FCHART and SOLCOST solar system design programs and some changes that were made to the SOLCOST program. Finally, results obtained from the analysis of several solar radiation models are presented. Separate abstracts were prepared for ten papers.

  16. Toward a Model of Vocational Persistence Among Seminarians: Part III

    Science.gov (United States)

    Lee, James L.

    1970-01-01

    Assumptions underlying model rely on Cartwright and Harary's (1960) definition of Heider's cognitive balance theory and Festinger's (1957) cognitive dissonance theory. Diagrams illustrate degree of balance between personal and reference group (curch authorities, classmates, family) attitudes. Parts I and II in earlier issues. (CJ)

  17. Toward a Model of Vocational Persistence Among Seminarians: Part III

    Science.gov (United States)

    Lee, James L.

    1970-01-01

    Assumptions underlying model rely on Cartwright and Harary's (1960) definition of Heider's cognitive balance theory and Festinger's (1957) cognitive dissonance theory. Diagrams illustrate degree of balance between personal and reference group (curch authorities, classmates, family) attitudes. Parts I and II in earlier issues. (CJ)

  18. Neurologic abnormalities in mouse models of the lysosomal storage disorders mucolipidosis II and mucolipidosis III γ.

    Directory of Open Access Journals (Sweden)

    Rachel A Idol

    Full Text Available UDP-GlcNAc:lysosomal enzyme N-acetylglucosamine-1-phosphotransferase is an α2β2γ2 hexameric enzyme that catalyzes the synthesis of the mannose 6-phosphate targeting signal on lysosomal hydrolases. Mutations in the α/β subunit precursor gene cause the severe lysosomal storage disorder mucolipidosis II (ML II or the more moderate mucolipidosis III alpha/beta (ML III α/β, while mutations in the γ subunit gene cause the mildest disorder, mucolipidosis III gamma (ML III γ. Here we report neurologic consequences of mouse models of ML II and ML III γ. The ML II mice have a total loss of acid hydrolase phosphorylation, which results in depletion of acid hydrolases in mesenchymal-derived cells. The ML III γ mice retain partial phosphorylation. However, in both cases, total brain extracts have normal or near normal activity of many acid hydrolases reflecting mannose 6-phosphate-independent lysosomal targeting pathways. While behavioral deficits occur in both models, the onset of these changes occurs sooner and the severity is greater in the ML II mice. The ML II mice undergo progressive neurodegeneration with neuronal loss, astrocytosis, microgliosis and Purkinje cell depletion which was evident at 4 months whereas ML III γ mice have only mild to moderate astrocytosis and microgliosis at 12 months. Both models accumulate the ganglioside GM2, but only ML II mice accumulate fucosylated glycans. We conclude that in spite of active mannose 6-phosphate-independent targeting pathways in the brain, there are cell types that require at least partial phosphorylation function to avoid lysosomal dysfunction and the associated neurodegeneration and behavioral impairments.

  19. Carbon dioxide stripping in aquaculture -- part III: model verification

    Science.gov (United States)

    Colt, John; Watten, Barnaby; Pfeiffer, Tim

    2012-01-01

    Based on conventional mass transfer models developed for oxygen, the use of the non-linear ASCE method, 2-point method, and one parameter linear-regression method were evaluated for carbon dioxide stripping data. For values of KLaCO2 < approximately 1.5/h, the 2-point or ASCE method are a good fit to experimental data, but the fit breaks down at higher values of KLaCO2. How to correct KLaCO2 for gas phase enrichment remains to be determined. The one-parameter linear regression model was used to vary the C*CO2 over the test, but it did not result in a better fit to the experimental data when compared to the ASCE or fixed C*CO2 assumptions.

  20. Asymmetric Gepner Models III. B-L Lifting

    CERN Document Server

    Gato-Rivera, B

    2010-01-01

    In the same spirit as heterotic weight lifting, B-L lifting is a way of replacing the superfluous and ubiquitous U(1)_{B-L} with something else with the same modular properties, but different conformal weights and ground state dimensions. This method works in principle for all variants of (2,2) constructions, such as orbifolds, Calabi-Yau manifolds, free bosons and fermions and Gepner models, since it only modifies the universal SO(10) x E_8 part of the CFT. However, it can only yield chiral spectra if the ``internal" sector of the theory provides a simple current of order 5. Here we apply this new method to Gepner models. Including exceptional invariants, 86 of them have the required order 5 simple current, and 69 of these yield chiral spectra. Three family spectra occur abundantly.

  1. Asymmetric Gepner models III. B-L lifting

    Energy Technology Data Exchange (ETDEWEB)

    Gato-Rivera, B. [NIKHEF Theory Group, Kruislaan 409, 1098 SJ Amsterdam (Netherlands); Instituto de Fisica Fundamental, CSIC, Serrano 123, Madrid 28006 (Spain); Schellekens, A.N., E-mail: t58@nikhef.n [NIKHEF Theory Group, Kruislaan 409, 1098 SJ Amsterdam (Netherlands); Instituto de Fisica Fundamental, CSIC, Serrano 123, Madrid 28006 (Spain); IMAPP, Radboud Universiteit, Nijmegen (Netherlands)

    2011-06-21

    In the same spirit as heterotic weight lifting, B-L lifting is a way of replacing the superfluous and ubiquitous U(1){sub B-L} with something else with the same modular properties, but different conformal weights and ground state dimensions. This method works in principle for all variants of (2,2) constructions, such as orbifolds, Calabi-Yau manifolds, free bosons and fermions and Gepner models, since it only modifies the universal SO(10)xE{sub 8} part of the CFT. However, it can only yield chiral spectra if the 'internal' sector of the theory provides a simple current of order 5. Here we apply this new method to Gepner models. Including exceptional invariants, 86 of them have the required order 5 simple current, and 69 of these yield chiral spectra. Three family spectra occur abundantly.

  2. Modeling of the adsorptive removal of arsenic(III) using plant biomass: a bioremedial approach

    Science.gov (United States)

    Roy, Palas; Dey, Uttiya; Chattoraj, Soumya; Mukhopadhyay, Debasis; Mondal, Naba Kumar

    2017-06-01

    In the present work, the possibility of using a non-conventional finely ground (250 μm) Azadirachta indica (neem) bark powder [AiBP] has been tested as a low-cost biosorbent for the removal of arsenic(III) from water. The removal of As(III) was studied by performing a series of biosorption experiments (batch and column). The biosorption behavior of As(III) for batch and column operations were examined in the concentration ranges of 50-500 µg L-1 and 500.0-2000.0 µg L-1, respectively. Under optimized batch conditions, the AiBP could remove up to 89.96 % of As(III) in water system. The artificial neural network (ANN) model was developed from batch experimental data sets which provided reasonable predictive performance ( R 2 = 0.961; 0.954) of As(III) biosorption. In batch operation, the initial As(III) concentration had the most significant impact on the biosorption process. For column operation, central composite design (CCD) was applied to investigate the influence on the breakthrough time for optimization of As(III) biosorption process and evaluation of interacting effects of different operating variables. The optimized result of CCD revealed that the AiBP was an effective and economically feasible biosorbent with maximum breakthrough time of 653.9 min, when the independent variables were retained at 2.0 g AiBP dose, 2000.0 µg L-1 initial As(III) concentrations, and 3.0 mL min-1 flow rate, at maximum desirability value of 0.969.

  3. Exact results in modeling planetary atmospheres-III

    Energy Technology Data Exchange (ETDEWEB)

    Pelkowski, J. [Institut fuer Atmosphaere und Umwelt, J.W. Goethe Universitaet Frankfurt, Campus Riedberg, Altenhoferallee 1, D-60438 Frankfurt a.M. (Germany)], E-mail: Pelkowski@meteor.uni-frankfurt.de; Chevallier, L. [Observatoire de Paris-Meudon, Laboratoire LUTH, 5 Place Jules Janssen, 92195 Meudon cedex (France); Rutily, B. [Universite de Lyon, F-69003 Lyon (France); Universite Lyon 1, Observatoire de Lyon, 9 avenue Charles Andre, F-69230 Saint-Genis-Laval (France); CNRS, UMR 5574, Centre de Recherche Astrophysique de Lyon (France); Ecole Normale Superieure de Lyon, F-69007 Lyon (France); Titaud, O. [Centro de Modelamiento Matematico, UMI 2807 CNRS-UChile, Blanco Encalada 2120 - 7 Piso, Casilla 170 - Correo 3, Santiago (Chile)

    2008-01-15

    We apply the semi-gray model of our previous paper to the particular case of the Earth's atmosphere, in order to illustrate quantitatively the inverse problem associated with the direct problem we dealt with before. From given climatological values of the atmosphere's spherical albedo and transmittance for visible radiation, the single-scattering albedo and the optical thickness in the visible are inferred, while the infrared optical thickness is deduced for given global average surface temperature. Eventually, temperature distributions in terms of the infrared optical depth will be shown for a terrestrial atmosphere assumed to be semi-gray and, locally, in radiative and thermodynamic equilibrium.

  4. Modeling rare earth complexes: Sparkle/PM3 parameters for thulium(III)

    Science.gov (United States)

    Freire, Ricardo O.; Rocha, Gerd B.; Simas, Alfredo M.

    2006-07-01

    The Sparkle model, recently defined for Tm(III) within AM1 [R.O. Freire, G.B. Rocha, A.M. Simas, Chem. Phys. Lett. 411 (2005) 61], is now extended to PM3. For the same 15 complexes previously used, the Sparkle/PM3 unsigned mean error, for all interatomic distances between the Tm(III) ion and the directly coordinating oxygen or nitrogen atoms, is 0.08 Å, a level of accuracy equivalent to the Sparkle/AM1 figure of 0.07 Å, as well as to results from present day ab initio effective core potential calculations. The results thus indicate that both Sparkle/AM1 and Sparkle/PM3 models may prove useful for luminescent Tm(III) complex design.

  5. Local models of stellar convection III: The Strouhal number

    CERN Document Server

    Käpylä, P J; Ossendrijver, M; Tuominen, I

    2004-01-01

    (Abbreviated) We determine the Strouhal number (St), a nondimensional measure of the correlation time, from numerical models of convection. The Strouhal number arises in the mean-field theories of angular momentum transport and dynamos, where its value determines the validity of certain widely used approximations, such as the first order smoothing (FOSA). More specifically, the relevant transport coefficients can be calculated by means of a cumulative series expansion if St < 1 (e.g. Knobloch 1978). We use two independent methods to estimate St. Firstly, we apply the minimal tau-approximation (MTA) in the equation of the time derivative of the Reynolds stress. In this approach the time derivative is essentially replaced by a term containing a relaxation time which can be interpreted as the correlation time of the turbulence. In this approach, the turnover time is estimated simply from the energy carrying scale of the convection and a typical velocity. In the second approach, we determine the correlation an...

  6. Complexation and molecular modeling studies of europium(III)-gallic acid-amino acid complexes.

    Science.gov (United States)

    Taha, Mohamed; Khan, Imran; Coutinho, João A P

    2016-04-01

    With many metal-based drugs extensively used today in the treatment of cancer, attention has focused on the development of new coordination compounds with antitumor activity with europium(III) complexes recently introduced as novel anticancer drugs. The aim of this work is to design new Eu(III) complexes with gallic acid, an antioxida'nt phenolic compound. Gallic acid was chosen because it shows anticancer activity without harming health cells. As antioxidant, it helps to protect human cells against oxidative damage that implicated in DNA damage, cancer, and accelerated cell aging. In this work, the formation of binary and ternary complexes of Eu(III) with gallic acid, primary ligand, and amino acids alanine, leucine, isoleucine, and tryptophan was studied by glass electrode potentiometry in aqueous solution containing 0.1M NaNO3 at (298.2 ± 0.1) K. Their overall stability constants were evaluated and the concentration distributions of the complex species in solution were calculated. The protonation constants of gallic acid and amino acids were also determined at our experimental conditions and compared with those predicted by using conductor-like screening model for realistic solvation (COSMO-RS) model. The geometries of Eu(III)-gallic acid complexes were characterized by the density functional theory (DFT). The spectroscopic UV-visible and photoluminescence measurements are carried out to confirm the formation of Eu(III)-gallic acid complexes in aqueous solutions.

  7. Type III Seesaw and Dark Matter in a Supersymmetric Left-Right Model

    CERN Document Server

    Borah, Debasish

    2009-01-01

    We propose a new supersymmetric left right model with Higgs doublets carrying odd B-L charge, higgs bidoublet and heavy Higgs triplets with zero B-L charge and a set of sterile neutrinos which are singlet under the gauge group. We show that spontaneous parity violation can be achieved naturally in this model and the neutrino masses arise from the so called type III seesaw mechanism. We also discuss the possible phenomenology in the context of neutrino masses and dark matter.

  8. Global Analysis of a Delayed Impulsive Lotka-Volterra Model with Holling III Type Functional Response

    Directory of Open Access Journals (Sweden)

    Hui Wang

    2015-01-01

    Full Text Available A delayed impulsive Lotka-Volterra model with Holing III type functional response was established. With the help of Mawhin’s Continuation Theorem in coincidence degree theory, a sufficient condition is found for the existence of positive periodic solutions of the system under consideration. By applying the comparison theorem and constructing a suitable Lyapunov functional, the permanence and global attractivity of the model are proved. Two numerical simulations are also given to illustrate our main results.

  9. Searching the charged Higgs boson of the type III two Higss doublet model

    CERN Document Server

    Cardenas, H

    2008-01-01

    In the framework of the Two Higgs Doublet Model (2HDM) type III appears two charged Higgs boson and recently there are experimental reports from D0 and CDF collaborations searching a particular signature of new physics. We present a review of the analisys done in the region $M_{H^+}>m_t$ by D0 collaboration and we use the ratio $R_\\sigma$ for the region $M_{H^+} < m_t$ in different scenarios of space parameter of this model.

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

    Science.gov (United States)

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

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

  11. Modeling of Threading Dislocation Density Reduction in Porous III-Nitride Layers

    Science.gov (United States)

    Artemiev, Dmitry M.; Orlova, Tatiana S.; Bougrov, Vladislav E.; Odnoblyudov, Maxim A.; Romanov, Alexei E.

    2015-05-01

    In this work, we report on the results of the theoretical analysis of threading dislocation (TD) density reduction in porous III-nitride layers grown in polar orientation. The reaction-kinetics model originally developed for describing TD evolution in growing bulk layers has been expanded to the case of the porous layer. The developed model takes into account TD inclinations under the influence of the pores as well as trapping TDs into the pores. It is demonstrated that both these factors increase the probability of dislocation reactions thus reducing the total density of TDs. The mean pore diameter acts as an effective interaction radius for the reactions among TDs. The model includes the main experimentally observed features of TD evolution in porous III-nitride layers.

  12. Assessing Inter-Model Continuity Between the Section II and Section III Conceptualizations of Borderline Personality Disorder in DSM-5.

    Science.gov (United States)

    Evans, Chloe M; Simms, Leonard J

    2017-03-02

    DSM-5 includes 2 competing models of borderline personality disorder (BPD) in Sections II and III. Empirical comparisons between these models are required to understand and improve intermodel continuity. We compared Section III BPD traits to Section II BPD criteria assessed via semistructured interviews in 455 current/recent psychiatric patients using correlation and regression analyses, and also evaluated the incremental predictive power of other Section III traits. In addition, we tested the hypothesis that self-harm would incrementally predict BPD Criterion 5 over the Section III traits. Results supported Section III BPD traits as an adequate representation of traditional BPD symptomatology, although modifications that would increase intermodel continuity were identified. Finally, we found support for the incremental validity of suspiciousness, anhedonia, perceptual dysregulation, and self-harm, suggesting possible gaps in the Section III PD trait definitions. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

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

    Energy Technology Data Exchange (ETDEWEB)

    Wang Peiming [OLI Systems Inc., 108 American Road, Morris Plains, NJ 07950 (United States); Wilson, Leslie L.; Wesolowski, David J.; Rosenqvist, Joergen [Chemical Sciences Division, Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, TN 37831-6110 (United States); Anderko, Andrzej [OLI Systems Inc., 108 American Road, Morris Plains, NJ 07950 (United States)], E-mail: aanderko@olisystems.com

    2010-05-15

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

  14. A mouse model of mitochondrial complex III dysfunction induced by myxothiazol

    Energy Technology Data Exchange (ETDEWEB)

    Davoudi, Mina [Pediatrics, Department of Clinical Sciences, Lund, Lund University, Lund 22185 (Sweden); Kallijärvi, Jukka; Marjavaara, Sanna [Folkhälsan Research Center, Biomedicum Helsinki, University of Helsinki, 00014 (Finland); Kotarsky, Heike; Hansson, Eva [Pediatrics, Department of Clinical Sciences, Lund, Lund University, Lund 22185 (Sweden); Levéen, Per [Pediatrics, Department of Clinical Sciences, Lund, Lund University, Lund 22185 (Sweden); Folkhälsan Research Center, Biomedicum Helsinki, University of Helsinki, 00014 (Finland); Fellman, Vineta, E-mail: Vineta.Fellman@med.lu.se [Pediatrics, Department of Clinical Sciences, Lund, Lund University, Lund 22185 (Sweden); Folkhälsan Research Center, Biomedicum Helsinki, University of Helsinki, 00014 (Finland); Children’s Hospital, Helsinki University Hospital, University of Helsinki, Helsinki 00029 (Finland)

    2014-04-18

    Highlights: • Reversible chemical inhibition of complex III in wild type mouse. • Myxothiazol causes decreased complex III activity in mouse liver. • The model is useful for therapeutic trials to improve mitochondrial function. - Abstract: Myxothiazol is a respiratory chain complex III (CIII) inhibitor that binds to the ubiquinol oxidation site Qo of CIII. It blocks electron transfer from ubiquinol to cytochrome b and thus inhibits CIII activity. It has been utilized as a tool in studies of respiratory chain function in in vitro and cell culture models. We developed a mouse model of biochemically induced and reversible CIII inhibition using myxothiazol. We administered myxothiazol intraperitoneally at a dose of 0.56 mg/kg to C57Bl/J6 mice every 24 h and assessed CIII activity, histology, lipid content, supercomplex formation, and gene expression in the livers of the mice. A reversible CIII activity decrease to 50% of control value occurred at 2 h post-injection. At 74 h only minor histological changes in the liver were found, supercomplex formation was preserved and no significant changes in the expression of genes indicating hepatotoxicity or inflammation were found. Thus, myxothiazol-induced CIII inhibition can be induced in mice for four days in a row without overt hepatotoxicity or lethality. This model could be utilized in further studies of respiratory chain function and pharmacological approaches to mitochondrial hepatopathies.

  15. A Model Study of the Photochemical Fate of As(III in Paddy-Water

    Directory of Open Access Journals (Sweden)

    Luca Carena

    2017-03-01

    Full Text Available The APEX (Aqueous Photochemistry of Environmentally-occurring Xenobiotics software previously developed by one of us was used to model the photochemistry of As(III in paddy-field water, allowing a comparison with biotic processes. The model included key paddy-water variables, such as the shielding effect of the rice canopy on incident sunlight and its monthly variations, water pH, and the photochemical parameters of the chromophoric dissolved organic matter (CDOM occurring in paddy fields. The half-life times (t1/2 of As(III photooxidation to As(V would be ~20–30 days in May. In contrast, the photochemical oxidation of As(III would be much slower in June and July due to rice-canopy shading of radiation because of plant growth, despite higher sunlight irradiance. At pH < 8 the photooxidation of As(III would mainly be accounted for by reaction with transient species produced by irradiated CDOM (here represented by the excited triplet states 3CDOM*, neglecting the possibly more important reactions with poorly known species such as the phenoxy radicals and, to a lesser extent, with the hydroxyl radicals (HO•. However, the carbonate radicals (CO3•− could be key photooxidants at pH > 8.5 provided that the paddy-water 3CDOM* is sufficiently reactive toward the oxidation of CO32−. In particular, if paddy-water 3CDOM* oxidizes the carbonate anion with a second-order reaction rate constant near (or higher than 106 M−1·s−1, the photooxidation of As(III could be quite fast at pH > 8.5. Such pH conditions can be produced by elevated photosynthetic activity that consumes dissolved CO2.

  16. A model of axial heterostructure formation in III-V semiconductor nanowires

    Science.gov (United States)

    Dubrovskii, V. G.

    2016-03-01

    A kinetic model of the formation of axial heterostructures in nanocrystalline wires (nanowires, NWs) of III-V semiconductor compounds growing according to the vapor-liquid-solid (VLS) mechanism is proposed. A general system of nonstationary equations for effective fluxes of two elements of the same group (e.g., group III) is formulated that allows the composition profile of a heterostructure to be calculated as a function of the coordinate and epitaxial growth conditions, including the flux of a group V element. Characteristic times of the composition relaxation, which determine the sharpness of the heteroboundary (heterointerface), are determined in the linear approximation. A temporal interruption (arrest) of fluxes during the switching of elements for a period exceeding these relaxation times must increase sharpness of the heteroboundary. Model calculations of the composition profile in a double GaAs/InAs/GaAs axial heterostructure have been performed for various NW radii.

  17. Physics-based multiscale modeling of III-nitride light emitters

    OpenAIRE

    Zhou, Xiangyu

    2016-01-01

    The application of computer simulations to scientific and engineering problems has evolved to an established phase over the last decades. In the field of semiconductor device physics, Technology CAD (TCAD) has been regarded as an indispensable tool for the interpretation and prediction of device behavior. More specifically, TCAD modeling and simulation of nanostructured III-nitride light emitters still have challenging problems and is currently a topic under active research. This thesis devot...

  18. Anisotropic Dark Energy Bianchi Type III Cosmological Models in Brans Dicke Theory of Gravity

    CERN Document Server

    Shamir, M Farasat; 10.1139/P2012-007

    2012-01-01

    The main purpose of this paper is to explore the solutions of Bianchi type $III$ cosmological model in Brans Dicke theory of gravity in the background of anisotropic dark energy. We use the assumption of constant deceleration parameter and power law relation between scalar field $\\phi$ and scale factor $a$ to find the solutions. The physical behavior of the solutions has been discussed using some physical quantities.

  19. Perbedaan Kekuatan Kompresi Gipsum Tipe III Pabrikan dan Daur Ulang serta Gipsum Tipe III Daur Ulang dengan Penambahan Larutan Zink Sulfat 4% sebagai Bahan Model Kerja Gigitiruan

    OpenAIRE

    Pitri, Yulindia

    2015-01-01

    Gipsum di bidang kedokteran gigi berasal dari bahan Kalsium Sulfat Dihidrat murni kemudian mengalami kalsinasi menjadi Kalsium Sulfat Hemihidrat. Gipsum mempunyai sifat reversibel sehingga dapat dilakukan proses daur ulang. Gipsum yang sering digunakan adalah gipsum tipe III menurut spesifikasi American Dental Association (ADA) dan digunakan sebagai bahan model kerja gigitiruan. Gipsum sebagai bahan model kerja gigitiruan yang digunakan harus mempunyai kekuatan kompresi yang tinggi agar dihas...

  20. Applicability of WaveWatch-III wave model to fatigue assessment of offshore floating structures

    Science.gov (United States)

    Zou, Tao; Kaminski, Miroslaw Lech

    2016-09-01

    In design and operation of floating offshore structures, one has to avoid fatigue failures caused by action of ocean waves. The aim of this paper is to investigate the applicability of WaveWatch-III wave model to fatigue assessment of offshore floating structures. The applicability was investigated for Bluewaters' FPSO (Floating Production, Storage and Offloading) which had been turret moored at Sable field for half a decade. The waves were predicted as sea-state time series consisting of one wind sea and one swell. The predicted waves were compared with wave data obtained from ERA-interim and buoy measurements. Furthermore, the fatigue calculations were also carried out for main deck and side shell locations. It has been concluded that predicted fatigue damages of main deck using WaveWatch-III are in a very good agreement regardless of differences in predicted wind waves and swells caused by differences in wave system partitioning. When compared to buoy measurements, the model underestimates fatigue damages of side shell by approximately 30 %. The reason for that has been found in wider directional spreading of actual waves. The WaveWatch-III wave model has been found suitable for the fatigue assessment. However, more attention should be paid on relative wave directionality, wave system partitioning and uncertainty analysis in further development.

  1. Bianchi VI{sub 0} and III models: self-similar approach

    Energy Technology Data Exchange (ETDEWEB)

    Belinchon, Jose Antonio, E-mail: abelcal@ciccp.e [Departamento de Fisica, ETS Arquitectura, UPM, Av. Juan de Herrera 4, Madrid 28040 (Spain)

    2009-09-07

    We study several cosmological models with Bianchi VI{sub 0} and III symmetries under the self-similar approach. We find new solutions for the 'classical' perfect fluid model as well as for the vacuum model although they are really restrictive for the equation of state. We also study a perfect fluid model with time-varying constants, G and LAMBDA. As in other studied models we find that the behaviour of G and LAMBDA are related. If G behaves as a growing time function then LAMBDA is a positive decreasing time function but if G is decreasing then LAMBDA{sub 0} is negative. We end by studying a massive cosmic string model, putting special emphasis in calculating the numerical values of the equations of state. We show that there is no SS solution for a string model with time-varying constants.

  2. A note on tilted Bianchi type VIh models: the type III bifurcation

    Science.gov (United States)

    Coley, A. A.; Hervik, S.

    2008-10-01

    In this note we complete the analysis of Hervik, van den Hoogen, Lim and Coley (2007 Class. Quantum Grav. 24 3859) of the late-time behaviour of tilted perfect fluid Bianchi type III models. We consider models with dust, and perfect fluids stiffer than dust, and eludicate the late-time behaviour by studying the centre manifold which dominates the behaviour of the model at late times. In the dust case, this centre manifold is three-dimensional and can be considered a double bifurcation as the two parameters (h and γ) of the type VIh model are varied. We therefore complete the analysis of the late-time behaviour of tilted ever-expanding Bianchi models of types I VIII.

  3. Removal of Cr(III ions from salt solution by nanofiltration: experimental and modelling analysis

    Directory of Open Access Journals (Sweden)

    Kowalik-Klimczak Anna

    2016-09-01

    Full Text Available The aim of this study was experimental and modelling analysis of the nanofiltration process used for the removal of chromium(III ions from salt solution characterized by low pH. The experimental results were interpreted with Donnan and Steric Partitioning Pore (DSP model based on the extended Nernst-Planck equation. In this model, one of the main parameters, describing retention of ions by the membrane, is pore dielectric constant. In this work, it was identified for various process pressures and feed compositions. The obtained results showed the satisfactory agreement between the experimental and modelling data. It means that the DSP model may be helpful for the monitoring of nanofiltration process applied for treatment of chromium tannery wastewater.

  4. A Modified Hybrid III 6-Year-Old Dummy Head Model for Lateral Impact Assessment

    Directory of Open Access Journals (Sweden)

    I. A. Rafukka

    2016-01-01

    Full Text Available Hybrid III six-year-old (6YO child dummy head model was developed and validated for frontal impact assessment according to the specifications contained in Code of Federal Regulations, Title 49, Part 572.122, Subpart N by Livermore Software Technology Corporation (LSTC. This work is aimed at improving biofidelity of the head for frontal impact and also extending its application to lateral impact assessment by modifying the head skin viscoelastic properties and validating the head response using the scaled nine-year-old (9YO child cadaver head response recently published in the literature. The modified head model was validated for two drop heights for frontal, right, and left parietal impact locations. Peak resultant acceleration of the modified head model appeared to have good correlation with scaled 9YO child cadaver head response for frontal impact on dropping from 302 mm height and fair correlation with 12.3% difference for 151 mm drop height. Right parietal peak resultant acceleration values correlate well with scaled 9YO head experimental data for 153 mm drop height, while fair correlation with 16.4% difference was noticed for 302 mm drop height. Left parietal, however, shows low biofidelity for the two drop heights as the difference in head acceleration response was within 30%. The modified head model could therefore be used to estimate injuries in vehicle crash for head parietal impact locations which cannot be measured by the current hybrid III dummy head model.

  5. Spectroscopic investigations on the complexation of Cm(III) and Eu(III) with organic model ligands and their binding mode in human urine (in vitro); Spektroskopische Untersuchungen zur Komplexbildung von Cm(III) und Eu(III) mit organischen Modellliganden sowie ihrer chemischen Bindungsform in menschlichem Urin (in vitro)

    Energy Technology Data Exchange (ETDEWEB)

    Heller, Anne

    2011-10-26

    In case of incorporation, trivalent actinides (An(III)) and lanthanides (Ln(III)) pose a serious health risk to humans. An(III) are artificial, highly radioactive elements which are mainly produced during the nuclear fuel cycle in nuclear power plants. Via hazardous accidents or nonprofessional storage of radioactive waste, they can be released in the environment and enter the human food chain. In contrast, Ln(III) are nonradioactive, naturally occurring elements with multiple applications in technique and medicine. Consequently it is possible that humans get in contact and incorporate both, An(III) and Ln(III). Therefore, it is of particular importance to elucidate the behaviour of these elements in the human body. While macroscopic processes such as distribution, accumulation and excretion are studied quite well, knowledge about the chemical binding form (speciation) of An(III) and Ln(III) in various body fluids is still sparse. In the present work, for the first time, the speciation of Cm(III) and Eu(III) in natural human urine (in vitro) has been investigated spectroscopically and the formed complex identified. For this purpose, also basic investigations on the complex formation of Cm(III) and Eu(III) in synthetic model urine as well as with the urinary relevant, organic model ligands urea, alanine, phenylalanine, threonine and citrate have been performed and the previously unknown complex stability constants determined. Finally, all experimental results were compared to literature data and predictions calculated by thermodynamic modelling. Since both, Cm(III) and Eu(III), exhibit unique luminescence properties, particularly the suitability of time-resolved laser-induced fluorescence spectroscopy (TRLFS) could be demonstrated as a method to investigate these metal ions in untreated, complex biofluids. The results of this work provide new scientific findings on the biochemical reactions of An(III) and Ln(III) in human body fluids on a molecular scale and

  6. Dipole model analysis of the new HERA I+II data

    CERN Document Server

    Luszczak, Agnieszka

    2016-01-01

    We use the dipole model to analyze the inclusive DIS cross section data, obtained from the HERA I+II measurements \\cite{Abramowicz:2015mha}. We show that these combined data are very well described within the dipole model framework, which is complemented with a valence quark structure functions. Our motivation is to investigate the gluon density with the BGK dipole model \\cite{BGK} as an alternative to the PDF approach. BGK dipole model uses for evolution the DGLAP mechanism in the $kt$ factorization scheme (in contrast to the collinear factorization for PDFs). We confirm our results from the previous paper \\cite{Luszczak:2013rxa} with old HERA data \\cite{HERA2010}. In addition we also performed a first, preliminary investigation of saturation. The analysis was done in the xFitter framework \\cite{xFitter,xFitter2,xFitter3,xFitter4,xFitter5}.}

  7. The catalytic ozonization of model lignin compounds in the presence of Fe(III) ions

    Science.gov (United States)

    Ben'ko, E. M.; Mukovnya, A. V.; Lunin, V. V.

    2007-05-01

    The ozonization of several model lignin compounds (guaiacol, 2,6-dimethoxyphenol, phenol, and vanillin) was studied in acid media in the presence of iron(III) ions. It was found that Fe3+ did not influence the initial rate of the reactions between model phenols and ozone but accelerated the oxidation of intermediate ozonolysis products. The metal concentration dependences of the total ozone consumption and effective rate constants of catalytic reaction stages were determined. Data on reactions in the presence of oxalic acid as a competing chelate ligand showed that complex formation with Fe3+ was the principal factor that accelerated the ozonolysis of model phenols at the stage of the oxidation of carboxylic dibasic acids and C2 aldehydes formed as intermediate products.

  8. Iron(III) complexes of certain tetradentate phenolate ligands as functional models for catechol dioxygenases

    Indian Academy of Sciences (India)

    Mallayan Palaniandavar; Marappan Velusamy; Ramasamy Mayilmurugan

    2006-11-01

    Catechol 1,2-dioxygenase (CTD) and protocatechuate 3,4-dioxygenase (PCD) are bacterial non-heme iron enzymes, which catalyse the oxidative cleavage of catechols to cis, cis-muconic acids with the incorporation of molecular oxygen via a mechanism involving a high-spin ferric centre. The iron(III) complexes of tripodal phenolate ligands containing N3O and N2O2 donor sets represent the metal binding region of the iron proteins. In our laboratory iron(III) complexes of mono- and bisphenolate ligands have been studied successfully as structural and functional models for the intradiol-cleaving catechol dioxygenase enzymes. The single crystal X-ray crystal structures of four of the complexes have been determined. One of the bis-phenolato complexes contains a FeN2O2Cl chromophore with a novel trigonal bipyramidal coordination geometry. The Fe-O-C bond angle of 136.1° observed for one of the iron(III) complex of a monophenolate ligand is very similar to that in the enzymes. The importance of the nearby sterically demanding coordinated -NMe2 group has been established and implies similar stereochemical constraints from the other ligated amino acid moieties in the 3,4-PCD enzymes, the enzyme activity of which is traced to the difference in the equatorial and axial Fe-O(tyrosinate) bonds (Fe-O-C, 133, 148°). The nature of heterocyclic rings of the ligands and the methyl substituents on them regulate the electronic spectral features, FeIII/FeII redox potentials and catechol cleavage activity of the complexes. Upon interacting with catecholate anions, two catecholate to iron(III) charge transfer bands appear and the low energy band is similar to that of catechol dioxygenase-substrate complex. Four of the complexes catalyze the oxidative cleavage of H2DBC by molecular oxygen to yield intradiol cleavage products. Remarkably, the more basic N-methylimidazole ring in one of the complexes facilitates the rate-determining productreleasing phase of the catalytic reaction. The present

  9. Development and Implementation of Efficiency-Improving Analysis Methods for the SAGE III on ISS Thermal Model Originating

    Science.gov (United States)

    Liles, Kaitlin; Amundsen, Ruth; Davis, Warren; Scola, Salvatore; Tobin, Steven; McLeod, Shawn; Mannu, Sergio; Guglielmo, Corrado; Moeller, Timothy

    2013-01-01

    The Stratospheric Aerosol and Gas Experiment III (SAGE III) instrument is the fifth in a series of instruments developed for monitoring aerosols and gaseous constituents in the stratosphere and troposphere. SAGE III will be delivered to the International Space Station (ISS) via the SpaceX Dragon vehicle in 2015. A detailed thermal model of the SAGE III payload has been developed in Thermal Desktop (TD). Several novel methods have been implemented to facilitate efficient payload-level thermal analysis, including the use of a design of experiments (DOE) methodology to determine the worst-case orbits for SAGE III while on ISS, use of TD assemblies to move payloads from the Dragon trunk to the Enhanced Operational Transfer Platform (EOTP) to its final home on the Expedite the Processing of Experiments to Space Station (ExPRESS) Logistics Carrier (ELC)-4, incorporation of older models in varying unit sets, ability to change units easily (including hardcoded logic blocks), case-based logic to facilitate activating heaters and active elements for varying scenarios within a single model, incorporation of several coordinate frames to easily map to structural models with differing geometries and locations, and streamlined results processing using an Excel-based text file plotter developed in-house at LaRC. This document presents an overview of the SAGE III thermal model and describes the development and implementation of these efficiency-improving analysis methods.

  10. Chemical analysis of simulated high level waste glasses to support stage III sulfate solubility modeling

    Energy Technology Data Exchange (ETDEWEB)

    Fox, K. M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2016-03-17

    The U.S. Department of Energy (DOE), Office of Environmental Management (EM) is sponsoring an international, collaborative project to develop a fundamental model for sulfate solubility in nuclear waste glass. The solubility of sulfate has a significant impact on the achievable waste loading for nuclear waste forms within the DOE complex. These wastes can contain relatively high concentrations of sulfate, which has low solubility in borosilicate glass. This is a significant issue for low-activity waste (LAW) glass and is projected to have a major impact on the Hanford Tank Waste Treatment and Immobilization Plant (WTP). Sulfate solubility has also been a limiting factor for recent high level waste (HLW) sludge processed at the Savannah River Site (SRS) Defense Waste Processing Facility (DWPF). The low solubility of sulfate in glass, along with melter and off-gas corrosion constraints, dictate that the waste be blended with lower sulfate concentration waste sources or washed to remove sulfate prior to vitrification. The development of enhanced borosilicate glass compositions with improved sulfate solubility will allow for higher waste loadings and accelerate mission completion.The objective of the current scope being pursued by SHU is to mature the sulfate solubility model to the point where it can be used to guide glass composition development for DWPF and WTP, allowing for enhanced waste loadings and waste throughput at these facilities. A series of targeted glass compositions was selected to resolve data gaps in the model and is identified as Stage III. SHU fabricated these glasses and sent samples to SRNL for chemical composition analysis. SHU will use the resulting data to enhance the sulfate solubility model and resolve any deficiencies. In this report, SRNL provides chemical analyses for the Stage III, simulated HLW glasses fabricated by SHU in support of the sulfate solubility model development.

  11. Modelling of the L-band brightness temperatures measured with ELBARA III radiometer on Bubnow wetland

    Science.gov (United States)

    Gluba, Lukasz; Sagan, Joanna; Lukowski, Mateusz; Szlazak, Radoslaw; Usowicz, Boguslaw

    2017-04-01

    Microwave radiometry has become the main tool for investigating soil moisture (SM) with remote sensing methods. ESA - SMOS (Soil Moisture and Ocean Salinity) satellite operating at L-band provides global distribution of soil moisture. An integral part of SMOS mission are calibration and validation activities involving measurements with ELBARA III which is an L-band microwave passive radiometer. It is done in order to improve soil moisture retrievals - make them more time-effective and accurate. The instrument is located at Bubnow test-site, on the border of cultivated field, fallow, meadow and natural wetland being a part of Polesie National Park (Poland). We obtain both temporal and spatial dependences of brightness temperatures for varied types of land covers with the ELBARA III directed at different azimuths. Soil moisture is retrieved from brightness temperature using L-band Microwave Emission of the Biosphere (L-MEB) model, the same as currently used radiative transfer model for SMOS. Parametrization of L-MEB, as well as input values are still under debate. We discuss the results of SM retrievals basing on data obtained during first year of the radiometer's operation. We analyze temporal dependences of retrieved SM for one-parameter (SM), two-parameter (SM, τ - optical depth) and three-parameter (SM, τ, Hr - roughness parameter) retrievals, as well as spatial dependences for specific dates. Special case of Simplified Roughness Parametrization, combining the roughness parameter and optical depth, is considered. L-MEB processing is supported by the continuous measurements of soil moisture and temperature obtained from nearby agrometeorological station, as well as studies on the soil granulometric composition of the Bubnow test-site area. Furthermore, for better estimation of optical depth, the satellite-derived Normalized Difference Vegetation Index (NDVI) was employed, supported by measured in situ vegetation parameters (such as Leaf Area Index and Vegetation

  12. Numerical modeling of space-time wave extremes using WAVEWATCH III

    Science.gov (United States)

    Barbariol, Francesco; Alves, Jose-Henrique G. M.; Benetazzo, Alvise; Bergamasco, Filippo; Bertotti, Luciana; Carniel, Sandro; Cavaleri, Luigi; Chao, Yung Y.; Chawla, Arun; Ricchi, Antonio; Sclavo, Mauro; Tolman, Hendrik

    2017-01-01

    A novel implementation of parameters estimating the space-time wave extremes within the spectral wave model WAVEWATCH III (WW3) is presented. The new output parameters, available in WW3 version 5.16, rely on the theoretical model of Fedele (J Phys Oceanogr 42(9):1601-1615, 2012) extended by Benetazzo et al. (J Phys Oceanogr 45(9):2261-2275, 2015) to estimate the maximum second-order nonlinear crest height over a given space-time region. In order to assess the wave height associated to the maximum crest height and the maximum wave height (generally different in a broad-band stormy sea state), the linear quasi-determinism theory of Boccotti (2000) is considered. The new WW3 implementation is tested by simulating sea states and space-time extremes over the Mediterranean Sea (forced by the wind fields produced by the COSMO-ME atmospheric model). Model simulations are compared to space-time wave maxima observed on March 10th, 2014, in the northern Adriatic Sea (Italy), by a stereo camera system installed on-board the "Acqua Alta" oceanographic tower. Results show that modeled space-time extremes are in general agreement with observations. Differences are mostly ascribed to the accuracy of the wind forcing and, to a lesser extent, to the approximations introduced in the space-time extremes parameterizations. Model estimates are expected to be even more accurate over areas larger than the mean wavelength (for instance, the model grid size).

  13. Modeling of the electrical carrier transport in III-V on silicon tandem solar cell structures

    Science.gov (United States)

    Maiti, T. K.; Cheong, Dan; Yang, Jingfeng; Kleiman, R. N.

    2011-08-01

    The electrical carrier transport of a tandem cell structure was evaluated by investigating the band alignment of and carrier transport through a tunnel junction. The modeling structure of a tandem cell consists of a III-V (or II-VI) top cell layer, a Si bottom cell layer and tunnel junction layers in-between which connect the top and the bottom cells. The values of energy bandgap and electron affinity of each layer were varied to investigate their effect on the energy barrier height at the interface between Si and compound semiconductors of interest. The contour plots of barrier heights for majority and minority carriers at the hetero-interface are used as a starting point to define the successful regions for electrical carrier transport through the tunnel junctions.

  14. Energy Optimization Modeling of Geothermal Power Plant (Case Study: Darajat Geothermal Field Unit III)

    Science.gov (United States)

    Sinaga, R. H. M.; Darmanto, P. S.

    2016-09-01

    Darajat unit III geothermal power plant is developed by PT. Chevron Geothermal Indonesia (CGI). The plant capacity is 121 MW and load 110%. The greatest utilization power is consumed by Hot Well Pump (HWP) and Cooling Tower Fan (CTF). Reducing the utility power can be attempted by utilizing the wet bulb temperature fluctuation. In this study, a modelling process is developed by using Engineering Equation Solver (EES) software version 9.430.The possibility of energy saving is indicated by Specific Steam Consumption (SSC) net in relation to wet bulb temperature fluctuation from 9°C up to 20.5°C. Result shows that the existing daily operation reaches its optimum condition. The installation of Variable Frequency Drive (VFD) could be applied to optimize both utility power of HWP and CTF. The highest gain is obtained by VFD HWP installation as much as 0.80% when wet bulb temperature 18.5 °C.

  15. Development of a hydrogen diffusion gothic model of MARK III-containment

    Energy Technology Data Exchange (ETDEWEB)

    Hung, Zhen-Yu [National Tsing Hua Univ., Dept. of Engineering and System Science, Hsinchu, Taiwan (China); Huang, Yu-Kai; Pei, Bau-Shei [National Tsing Hua Univ., Inst. of Nuclear Engineering Science, Hsinchu, Taiwan (China); Hsu, Wen-Sheng [National Tsing Hua Univ., Nuclear Science and Technology Development Center, Hsinchu, Taiwan (China); Chen, Yen-Shu [Institute of Nuclear Energy Research, Nuclear Engineering Div., Taiyuan County, Taiwan (China)

    2015-07-15

    The accident that occurred at the Fukushima Daiichi Nuclear Power Plant is a reminder of the danger of hydrogen explosion within a reactor building. Sufficiently high hydrogen concentration may cause an explosion that could damage the structure, resulting in the release of radioisotopes into the environment. In the first part of this study, a gas diffusion experiment was performed, in which helium was used as the working fluid. An analytical model was also developed using the GOTHIC code and the model predictions of the helium distribution were found to be in good agreement with the experimentally measured data. In the second part of the study, a model of the Mark III containment of the Kuosheng Plant in Taiwan was developed, and was applied to a long-term station blackout (SBO) accident similar to that of the Fukushima plant. The hydrogen generation was calculated using the Modular Accident Analysis Program and was used as the boundary condition for the GOTHIC containment model. The simulation results revealed that the hydrogen concentration at the first floor of the wetwell in the containment reached 4 % 9.7 h after the accident. This indicated the possibility of dangerous conditions inside the containment. Although active hydrogen ignitors are already installed in the Kuosheng plant, the findings of this study indicate that it may be necessary to add passive recombiners to prolong an SBO event.

  16. A new statistical model for Population III supernova rates: discriminating between ΛCDM and WDM cosmologies

    Science.gov (United States)

    Magg, Mattis; Hartwig, Tilman; Glover, Simon C. O.; Klessen, Ralf S.; Whalen, Daniel J.

    2016-11-01

    With new observational facilities becoming available soon, discovering and characterizing supernovae from the first stars will open up alternative observational windows to the end of the cosmic dark ages. Based on a semi-analytical merger tree model of early star formation, we constrain Population III supernova rates. We find that our method reproduces the Population III supernova rates of large-scale cosmological simulations very well. Our computationally efficient model allows us to survey a large parameter space and to explore a wide range of different scenarios for Population III star formation. Our calculations show that observations of the first supernovae can be used to differentiate between cold and warm dark matter models and to constrain the corresponding particle mass of the latter. Our predictions can also be used to optimize survey strategies with the goal to maximize supernova detection rates.

  17. A New Statistical Model for Population III Supernova Rates: Discriminating Between $\\Lambda$CDM and WDM Cosmologies

    CERN Document Server

    Magg, Mattis; Glover, Simon C O; Klessen, Ralf S; Whalen, Daniel J

    2016-01-01

    With new observational facilities becoming available soon, discovering and characterising supernovae from the first stars will open up alternative observational windows to the end of the cosmic dark ages. Based on a semi-analytical merger tree model of early star formation we constrain Population III supernova rates. We find that our method reproduces the Population III supernova rates of large-scale cosmological simulations very well. Our computationally efficient model allows us to survey a large parameter space and to explore a wide range of different scenarios for Population III star formation. Our calculations show that observations of the first supernovae can be used to differentiate between cold and warm dark matter models and to constrain the corresponding particle mass of the latter. Our predictions can also be used to optimize survey strategies with the goal to maximize supernova detection rates.

  18. Bioaccumulation of Cr(III ions by Blue Green-alga Spirulina sp. Part II. Mathematical Modeling

    Directory of Open Access Journals (Sweden)

    Katarzyna Chojnacka

    2007-01-01

    Full Text Available In the present paper bioaccumulation of Cr(III ions by blue-green algae Spirulina sp. is discussed. We found that the process consisted of two stages: passive in which Cr(III ions are bound to the surface of cells, identical with biosorption and active, metabolism-dependent, in which Cr(III ions are transported into the cellular interior. The passive stage occurs in both living and non-living cells and the active only in living biomass. Two distinctive mathematical models of the process were proposed. The first was physical model basing on the identified mechanism of the process. In the second model, artificial neural networks were proposed.

  19. Impact of Type III Secretion Effectors and of Phenoxyacetamide Inhibitors of Type III Secretion on Abscess Formation in a Mouse Model of Pseudomonas aeruginosa Infection.

    Science.gov (United States)

    Berube, Bryan J; Murphy, Katherine; Torhan, Matthew C; Bowlin, Nicholas O; Williams, John D; Bowlin, Terry L; Moir, Donald T; Hauser, Alan R

    2017-08-14

    Pseudomonas aeruginosa is a leading cause of intra-abdominal infections, wound infections, and community-acquired folliculitis, each of which may involve macro- or micro-abscess formation. The rising incidence of multi-drug resistance among P. aeruginosa isolates has increased both the economic burden and the morbidity and mortality associated with P. aeruginosa disease and necessitates a search for novel therapeutics. Previous work from our group detailed novel phenoxyacetamide inhibitors that block type III secretion and injection into host cells in vitro In this study, we used a murine abscess model of P. aeruginosa infection to test in vivo efficacy of these compounds against the P. aeruginosa type III secretion system (T3SS). Bacteria used the T3SS to intoxicate infiltrating neutrophils to establish abscesses. Despite this antagonism, sufficient numbers of functioning neutrophils remained for proper containment of abscesses, as neutrophil depletion resulted in increased abscess size, formation of dermonecrotic lesions on the skin, and dissemination of P. aeruginosa to internal organs. Consistent with the specificity of the T3SS/neutrophil interaction, P. aeruginosa lacking a functional T3SS was fully capable of causing abscesses in a neutropenic host. Phenoxyacetamide inhibitors attenuated abscess formation and aided in immune clearance of bacteria. Finally, a P. aeruginosa strain resistant to the phenoxyacetamide compound was fully capable of causing abscess formation even in the presence of the T3SS inhibitors. Together our results further define the role of type III secretion in murine abscess formation and demonstrate the in vivo efficacy of phenoxyacetamide inhibitors in P. aeruginosa infection. Copyright © 2017 American Society for Microbiology.

  20. A modeling study of notch noise responses of type III units in the gerbil dorsal cochlear nucleus.

    Science.gov (United States)

    Zheng, Xiaohan; Voigt, Herbert F

    2006-12-01

    A computational model of the neural circuitry of the gerbil dorsal cochlear nucleus (DCN), based on the MacGregor's neuromime model, was used to simulate type III unit (P-cell) responses to notch noise stimuli. The DCN patch model is based on a previous computational model of the cat DCN [Hancock, K. E., and H. F. Voigt. Ann. Biomed. Eng. 27:73-87, 1999]. According to the experimental study of Parsons et al. [Ann. Biomed. Eng. 29:887-896, 2001], the responses of gerbil DCN type III units to notch noise stimuli are similar to those of cat DCN type IV units, which are thought to be spectral notch detectors. This suggests that type III units in the gerbil DCN may serve as spectral notch detectors. In this modeling study, a simplified notch noise response plot--spike discharge rate vs. notch cutoff frequency plot--was used to compare model responses to the experimental results. Parameter estimation and sensitivity analysis of three connection parameters within the DCN patch have been studied and shows the model is robust, providing reasonable fits to the experimental data from 14 of 15 type III units examined.

  1. Feynman Rules in the Type III Natural Flavour-Conserving Two-Higgs Doublet Model

    CERN Document Server

    Lin, C; Yang, Y W; Lin, Chilong; Lee, Chien-er; Yang, Yeou-Wei

    1994-01-01

    We consider a two Higgs-doublet model with $S_3$ symmetry, which implies a $\\pi \\over 2$ rather than 0 relative phase between the vacuum expectation values $$ and $$. The corresponding Feynman rules are derived accordingly and the transformation of the Higgs fields from the weak to the mass eigenstates includes not only an angle rotation but also a phase transformation. In this model, both doublets couple to the same type of fermions and the flavour-changing neutral currents are naturally suppressed. We also demonstrate that the Type III natural flavour-conserving model is valid at tree-level even when an explicit $S_3$ symmetry breaking perturbation is introduced to get a reasonable CKM matrix. In the special case $\\beta = \\alpha$, as the ratio $\\tan\\beta = {v_2 \\over v_1}$ runs from 0 to $\\infty$, the dominant Yukawa coupling will change from the first two generations to the third generation. In the Feynman rules, we also find that the charged Higgs currents are explicitly left-right asymmetric. The ratios ...

  2. Mathematical Modeling of Allelopathy. III. A Model for Curve-Fitting Allelochemical Dose Responses

    OpenAIRE

    Liu, Li; An, Min; Johnson, Ian R.; Lovett, John V.

    2003-01-01

    Bioassay techniques are often used to study the effects of allelochemicals on plant processes, and it is generally observed that the processes are stimulated at low allelochemical concentrations and inhibited as the concentrations increase. A simple empirical model is presented to analyze this type of response. The stimulation-inhibition properties of allelochemical-dose responses can be described by the parameters in the model. The indices, p% reductions, are calculated to assess the alleloc...

  3. Modelling of wind waves on the lake-like basin of Gorky Reservoir with WAVEWATCH III

    Science.gov (United States)

    Troitskaya, Yuliya; Kuznetsova, Alexandra; Zenkovich, Dmitry; Papko, Vladislav; Kandaurov, Alexander; Baidakov, Georgy; Vdovin, Maxim; Sergeev, Daniil

    2014-05-01

    Simulation of ocean waves and sea waves is nowadays a generally adopted technique of operational meteorology. Such well-known models as WAVEWATCH, WAM, SWAM are aimed primarily at describing ocean waves including coastal (nearshore) zones. Meanwhile, wave modelling is less developed for moderate and small inland water reservoirs and lakes, though being of considerable interest for inland navigation. In this paper test numerical experiments on simulating waves on the lake-like basin of the Gorky Reservoir using WAVEWATCH III are reported. We aimed to evaluate the applicability of the model to the waves on a mid-sized inland reservoir. Gorky Reservoir is an artificial lake in the central part of the Volga River formed by a hydroelectric dam of Gorky Hydroelectric Station between the towns of Gorodets and Zavolzhye. It spans for 427 km from the dam of Rybinsk to the dam of Gorodets through several regions of Central Russia. While it is relatively narrow and follows the natural riverbed of Volga in the upper part, it becomes up to 15 km wide downstream the town of Yuryevets. Its maximum depth is 22 m, the surface area is 1590 km2, the accumulated water volume amounts to 8.71 km3. In the series of calculations we considered moderate winds of different directions blowing steadily all over the surface of the reservoir and the waves developing from calm conditions or from some initial seeding spectral distribution that is Gaussian in frequency and space, cosine in direction. The results of wave simulation are compared then with the data collected by the field in-situ observations and measurements. The field experiments were carried out in the south part of the Gorky reservoir from the boat. In the course of the experiment we simultaneously measured profiles of wind speed and surface wave spectra using instruments placed on the Froude buoy, which measures the following parameters: i) the module and the direction of the wind speed using ultrasonic wind sensor WindSonic Gill

  4. GCR Environmental Models III: GCR Model Validation and Propagated Uncertainties in Effective Dose

    Science.gov (United States)

    Slaba, Tony C.; Xu, Xiaojing; Blattnig, Steve R.; Norman, Ryan B.

    2014-01-01

    This is the last of three papers focused on quantifying the uncertainty associated with galactic cosmic rays (GCR) models used for space radiation shielding applications. In the first paper, it was found that GCR ions with Z>2 and boundary energy below 500 MeV/nucleon induce less than 5% of the total effective dose behind shielding. This is an important finding since GCR model development and validation have been heavily biased toward Advanced Composition Explorer/Cosmic Ray Isotope Spectrometer measurements below 500 MeV/nucleon. Weights were also developed that quantify the relative contribution of defined GCR energy and charge groups to effective dose behind shielding. In the second paper, it was shown that these weights could be used to efficiently propagate GCR model uncertainties into effective dose behind shielding. In this work, uncertainties are quantified for a few commonly used GCR models. A validation metric is developed that accounts for measurements uncertainty, and the metric is coupled to the fast uncertainty propagation method. For this work, the Badhwar-O'Neill (BON) 2010 and 2011 and the Matthia GCR models are compared to an extensive measurement database. It is shown that BON2011 systematically overestimates heavy ion fluxes in the range 0.5-4 GeV/nucleon. The BON2010 and BON2011 also show moderate and large errors in reproducing past solar activity near the 2000 solar maximum and 2010 solar minimum. It is found that all three models induce relative errors in effective dose in the interval [-20%, 20%] at a 68% confidence level. The BON2010 and Matthia models are found to have similar overall uncertainty estimates and are preferred for space radiation shielding applications.

  5. Physiotherapy and low back pain - part iii: outcomes research utilising the biosychosocial model: psychosocial outcomes

    Directory of Open Access Journals (Sweden)

    L. D. Bardin

    2003-02-01

    Full Text Available A comprehensive understanding of low back pain (LBPhas evolved that necessitates the use of a biopsychosocial model, focusing on illness rather than disease and incorporating the biological, psychological and social aspects that are important to understand and to study LBP in its chronic form. Traditional outcome measures that measure elements within the biological component are limited to assess the spectrum of impacts caused by chronic low back pain (CLBP and the validity, reliability and sensitivity of some of these measures has been questioned.Few physiologic tests of spine function are clinically meaningful to patients, objective physical findings can be absent, and in CLBP disability and activity intolerance are often disproportional to the original injury. Biological outcomes should be complemented by outcomes of the psychosocial aspects of back pain that measure the considerable functional and emotional impact on the quality of life of patients experiencing low back dysfunction. Outcomes research is an analysis of clinical practice as it actually occurs and can  make a valuable contribution to understanding the multidimensional impact of LBP. Psychosocial aspects of the biopsychosocial model for outcomes research are discussed in part III: functional status/disability, psychological impairment, patient satisfaction, health related quality of life

  6. Application of Bayesian hierarchical models for phase I/II clinical trials in oncology.

    Science.gov (United States)

    Yada, Shinjo; Hamada, Chikuma

    2017-03-01

    Treatment during cancer clinical trials sometimes involves the combination of multiple drugs. In addition, in recent years there has been a trend toward phase I/II trials in which a phase I and a phase II trial are combined into a single trial to accelerate drug development. Methods for the seamless combination of phases I and II parts are currently under investigation. In the phase II part, adaptive randomization on the basis of patient efficacy outcomes allocates more patients to the dose combinations considered to have higher efficacy. Patient toxicity outcomes are used for determining admissibility to each dose combination and are not used for selection of the dose combination itself. In cases where the objective is not to find the optimum dose combination solely for efficacy but regarding both toxicity and efficacy, the need exists to allocate patients to dose combinations with consideration of the balance of existing trade-offs between toxicity and efficacy. We propose a Bayesian hierarchical model and an adaptive randomization with consideration for the relationship with toxicity and efficacy. Using the toxicity and efficacy outcomes of patients, the Bayesian hierarchical model is used to estimate the toxicity probability and efficacy probability in each of the dose combinations. Here, we use Bayesian moving-reference adaptive randomization on the basis of desirability computed from the obtained estimator. Computer simulations suggest that the proposed method will likely recommend a higher percentage of target dose combinations than a previously proposed method.

  7. Tidal Downsizing Model. III. Planets from sub-Earths to Brown Dwarfs: structure and metallicity preferences

    CERN Document Server

    Nayakshin, Sergei

    2015-01-01

    We present improved population synthesis calculations in the context of the Tidal Downsizing (TD) hypothesis for planet formation. Our models provide natural explanations and/or quantitative match to exoplanet observations in the following categories: (i) most abundant planets being super-Earths; (ii) cores more massive than $\\sim 5-15 M_\\oplus$ are enveloped by massive metal-rich atmospheres; (iii) the frequency of occurrence of close-in gas giant planets correlates strongly with metallicity of the host star; (iv) no such correlation is found for sub-Neptune planets; (v) presence of massive cores in giant planets; (vi) the composition of gas giant planets is over-abundant in metals compared to their host stars; (vii) this over-abundance decreases with planet's mass, as observed; (viii) a deep valley in the planet mass function between masses of $\\sim 10-20 M_\\oplus$ and $\\sim 100 M_\\oplus$. We provide a number of observational predictions distinguishing the model from Core Accretion: (a) composition of the m...

  8. Mathematical Modeling of Allelopathy. III. A Model for Curve-Fitting Allelochemical Dose Responses

    Science.gov (United States)

    Liu, De Li; An, Min; Johnson, Ian R.; Lovett, John V.

    2003-01-01

    Bioassay techniques are often used to study the effects of allelochemicals on plant processes, and it is generally observed that the processes are stimulated at low allelochemical concentrations and inhibited as the concentrations increase. A simple empirical model is presented to analyze this type of response. The stimulation-inhibition properties of allelochemical-dose responses can be described by the parameters in the model. The indices, p% reductions, are calculated to assess the allelochemical effects. The model is compared with experimental data for the response of lettuce seedling growth to Centaurepensin, the olfactory response of weevil larvae to α-terpineol, and the responses of annual ryegrass (Lolium multiflorum Lam.), creeping red fescue (Festuca rubra L., cv. Ensylva), Kentucky bluegrass (Poa pratensis L., cv. Kenblue), perennial ryegrass (L. perenne L., cv. Manhattan), and Rebel tall fescue (F. arundinacea Schreb) seedling growth to leachates of Rebel and Kentucky 31 tall fescue. The results show that the model gives a good description to observations and can be used to fit a wide range of dose responses. Assessments of the effects of leachates of Rebel and Kentucky 31 tall fescue clearly differentiate the properties of the allelopathic sources and the relative sensitivities of indicators such as the length of root and leaf. PMID:19330111

  9. Mathematical Modeling of Allelopathy. III. A Model for Curve-Fitting Allelochemical Dose Responses.

    Science.gov (United States)

    Liu, De Li; An, Min; Johnson, Ian R; Lovett, John V

    2003-01-01

    Bioassay techniques are often used to study the effects of allelochemicals on plant processes, and it is generally observed that the processes are stimulated at low allelochemical concentrations and inhibited as the concentrations increase. A simple empirical model is presented to analyze this type of response. The stimulation-inhibition properties of allelochemical-dose responses can be described by the parameters in the model. The indices, p% reductions, are calculated to assess the allelochemical effects. The model is compared with experimental data for the response of lettuce seedling growth to Centaurepensin, the olfactory response of weevil larvae to alpha-terpineol, and the responses of annual ryegrass (Lolium multiflorum Lam.), creeping red fescue (Festuca rubra L., cv. Ensylva), Kentucky bluegrass (Poa pratensis L., cv. Kenblue), perennial ryegrass (L. perenne L., cv. Manhattan), and Rebel tall fescue (F. arundinacea Schreb) seedling growth to leachates of Rebel and Kentucky 31 tall fescue. The results show that the model gives a good description to observations and can be used to fit a wide range of dose responses. Assessments of the effects of leachates of Rebel and Kentucky 31 tall fescue clearly differentiate the properties of the allelopathic sources and the relative sensitivities of indicators such as the length of root and leaf.

  10. Comparison of the Mortality Probability Admission Model III, National Quality Forum, and Acute Physiology and Chronic Health Evaluation IV hospital mortality models: implications for national benchmarking*.

    Science.gov (United States)

    Kramer, Andrew A; Higgins, Thomas L; Zimmerman, Jack E

    2014-03-01

    To examine the accuracy of the original Mortality Probability Admission Model III, ICU Outcomes Model/National Quality Forum modification of Mortality Probability Admission Model III, and Acute Physiology and Chronic Health Evaluation IVa models for comparing observed and risk-adjusted hospital mortality predictions. Retrospective paired analyses of day 1 hospital mortality predictions using three prognostic models. Fifty-five ICUs at 38 U.S. hospitals from January 2008 to December 2012. Among 174,001 intensive care admissions, 109,926 met model inclusion criteria and 55,304 had data for mortality prediction using all three models. None. We compared patient exclusions and the discrimination, calibration, and accuracy for each model. Acute Physiology and Chronic Health Evaluation IVa excluded 10.7% of all patients, ICU Outcomes Model/National Quality Forum 20.1%, and Mortality Probability Admission Model III 24.1%. Discrimination of Acute Physiology and Chronic Health Evaluation IVa was superior with area under receiver operating curve (0.88) compared with Mortality Probability Admission Model III (0.81) and ICU Outcomes Model/National Quality Forum (0.80). Acute Physiology and Chronic Health Evaluation IVa was better calibrated (lowest Hosmer-Lemeshow statistic). The accuracy of Acute Physiology and Chronic Health Evaluation IVa was superior (adjusted Brier score = 31.0%) to that for Mortality Probability Admission Model III (16.1%) and ICU Outcomes Model/National Quality Forum (17.8%). Compared with observed mortality, Acute Physiology and Chronic Health Evaluation IVa overpredicted mortality by 1.5% and Mortality Probability Admission Model III by 3.1%; ICU Outcomes Model/National Quality Forum underpredicted mortality by 1.2%. Calibration curves showed that Acute Physiology and Chronic Health Evaluation performed well over the entire risk range, unlike the Mortality Probability Admission Model and ICU Outcomes Model/National Quality Forum models. Acute

  11. Modeling and Simulation. III. Simulation of a Model for Development of Visual Cortical Specificity.

    Science.gov (United States)

    1986-12-15

    of parameter values. Experiment, model, and simulation 5’ The simulations we consider mimic, in form, classic deprivation experiments. Kittens are...second paper of the series (ref. 8) reviews the results of numerous experiments on the neuronal development of kitten visual cortex. We have...restricted to a very limited range of oriented contours (see citations in ref. 8). Kittens were raised, for example, viewing only horizontal or only vertical

  12. Tristability in the iodate-As(III) chemical system arising from a model of stirring and mixing effects

    Science.gov (United States)

    Ganapathisubramanian, N.

    1991-08-01

    The iodate-As(III) system which exhibits bistability in an ideal continuous flow stirred tank reactor (CSTR), exhibits tristability when subjected to the mixing model of Kumpinsky and Epstein [J. Chem. Phys. 82, 53 (1985)]. The cross flow between the major and minor reactors influences the system's lower hysteresis limit more than its upper hysteresis limit.

  13. DECOVALEX - Mathematical models of coupled T-H-M processes for nuclear waste repositories. Report of phase III

    Energy Technology Data Exchange (ETDEWEB)

    Jing, L.; Rutqvist, J.; Stephansson, O. [eds.] [Royal Inst. of Tech., Stockholm (Sweden); Tsang, C.F. [ed.] [California Univ., Berkeley, CA (United States). Lawrence Berkeley Lab.; Kautsky, F. [ed.] [Swedish Nuclear Power Inspectorate, Stockholm (Sweden)

    1995-12-01

    This report presents the methodologies and results of the field/laboratory experiments and mathematical modeling defined for the phase III of the project. Results from test cases 2-6 are given in separate chapters of the report (which have been indexed separately), and the last chapter discusses the lessons learned from the three phases of the DECOVALEX project.

  14. Talents and Type Iiis: The Effects of the Talents Unlimited Model on Creative Productivity in Gifted Youngsters

    Science.gov (United States)

    Newman, Jane L.

    2005-01-01

    This study examined a set of lessons that integrate the Talents Unlimited Model (TU; C. L. Schlichter, 1986) with the 10 steps of completing a Type III activity (J. S. Renzulli & S. M. Reis, 1985) to determine the effects of these lessons on the quality of students' creative products and on the number of students who completed their products.…

  15. Establishment of a biomarker model for predicting bone metastasis in resected stage III non-small cell lung cancer

    Directory of Open Access Journals (Sweden)

    Zhou Zhen

    2012-04-01

    Full Text Available Abstract Background This study was designed to establish a biomarker risk model for predicting bone metastasis in stage III non-small cell lung cancer (NSCLC. Methods The model consists of 105 cases of stage III NSCLC, who were treated and followed up. The patients were divided into bone metastasis group (n = 45 and non-bone metastasis group (other visceral metastasis and those without recurrence (n = 60. Tissue microarrays were constructed for immunohistochemical study of 10 molecular markers associated with bone metastasis, based on which a model was established via logistic regression analysis for predicting the risk of bone metastases. The model was prospectively validated in another 40 patients with stage III NSCLC. Results The molecular model for predicting bone metastasis was logit (P = − 2.538 + 2.808 CXCR4 +1.629 BSP +0.846 OPN-2.939 BMP4. ROC test showed that when P ≥ 0.408, the sensitivity was up to 71% and specificity of 70%. Model validation in the 40 cases in clinical trial (NCT 01124253 demonstrated that the prediction sensitivity of the model was 85.7%, specificity 66.7%, Kappa: 0.618, with a high degree of consistency. Conclusion The molecular model combining CXCR4, BSP, OPN and BMP4 could help predict the risk of bone metastasis in stage IIIa and IIIb resected NSCLC.

  16. Performance evaluation of WAVEWATCH III model in the Persian Gulf using different wind resources

    Science.gov (United States)

    Kazeminezhad, Mohammad Hossein; Siadatmousavi, Seyed Mostafa

    2017-07-01

    The third-generation wave model, WAVEWATCH III, was employed to simulate bulk wave parameters in the Persian Gulf using three different wind sources: ERA-Interim, CCMP, and GFS-Analysis. Different formulations for whitecapping term and the energy transfer from wind to wave were used, namely the Tolman and Chalikov (J Phys Oceanogr 26:497-518, 1996), WAM cycle 4 (BJA and WAM4), and Ardhuin et al. (J Phys Oceanogr 40(9):1917-1941, 2010) (TEST405 and TEST451 parameterizations) source term packages. The obtained results from numerical simulations were compared to altimeter-derived significant wave heights and measured wave parameters at two stations in the northern part of the Persian Gulf through statistical indicators and the Taylor diagram. Comparison of the bulk wave parameters with measured values showed underestimation of wave height using all wind sources. However, the performance of the model was best when GFS-Analysis wind data were used. In general, when wind veering from southeast to northwest occurred, and wind speed was high during the rotation, the model underestimation of wave height was severe. Except for the Tolman and Chalikov (J Phys Oceanogr 26:497-518, 1996) source term package, which severely underestimated the bulk wave parameters during stormy condition, the performances of other formulations were practically similar. However, in terms of statistics, the Ardhuin et al. (J Phys Oceanogr 40(9):1917-1941, 2010) source terms with TEST405 parameterization were the most successful formulation in the Persian Gulf when compared to in situ and altimeter-derived observations.

  17. DECOVALEX III PROJECT. Modelling of FEBEX In-Situ Test. Task1 Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Alonso, E.E.; Alcoverro, J. [Univ. Politecnica de Catalunya, Barcelona (Spain)] (comps.)

    2005-02-15

    Task 1 of DECOVALEX III was conceived as a benchmark exercise supported by all field and laboratory data generated during the performance of the FEBEX experiment designed to study thermo-hydro-mechanical and thermo-hydro-geochemical processes of the buffer and rock in the near field. The task was defined as a series of three successive blind prediction exercises (Parts A, B and C), which cover the behaviour of both the rock and bentonite barrier. Research teams participating in the FEBEX task were given, for each of the three parts, a set of field and laboratory data theoretically sufficient to generate a proper model and were asked to submit predictions, at given locations and time, for some of the measured variables. The merits and limitations of different modeling approaches were therefore established. The teams could perform additional calculations, once the actual 'solution' was disclosed. Final calculations represented the best approximation that a given team could provide, always within the general time constraints imposed by the General DECOVALEX III Organization. This report presents the works performed for Task 1. It contains the case definitions and evaluations of modelling results for Part A, B and C, and the overall evaluation of the works performed. The report is completed by a CD-ROM containing a set of final reports provided by the modeling teams participating in each of the three parts defined. These reports provide the necessary details to better understand the nature of the blind or final predictions included in this report. The report closes with a set of conclusions, which provides a summary of the main findings and highlights the lessons learned, some of which were summarized below. The best predictions of the water inflow into the excavated tunnel are found when the hydro geological model is properly calibrated on the basis of other known flow measurements in the same area. The particular idealization of the rock mass (equivalent

  18. Phosphate removal from wastewater by model-La(III) zeolite adsorbents

    Institute of Scientific and Technical Information of China (English)

    NING Ping; BART Hans-J(o)rg; LI Bing; LU Xiwu; ZHANG Yong

    2008-01-01

    Phosphorus is one of the primary nutrients which leads to eutrophication and accelerates aging process in enclosed water bodies.Because of the poor phosphorus selectivity of other adsorbents,the novel La (III)-modified zedim adsorbent (LZA) was prepared by modifying 90 nm zeolite with lanthanide to selectively remove phosphate in the presence of various omnipresent anions,such as sulfates,bicarbonates,and chlorides.Through batch and fixed bed operation,the following optimum conditions were obtalned:concentration of lanthanum chloride solution 0.05 mol/L:solid/liquor ratio 1/25;pH 10;calcination temperature 550℃;time 1 h.The value of the Freundlich model constants Kf and 1/n were found to he 16.76 mg/L and 0.2209,respectively.In addition,when calculated at pH 6.0,distilhution coefficient KD could be as high as 36.6.Furthermore,in the alkaline pH range,solution of 0.8 mol/L NaCl Was used to regenerate the saturated LZA, which could reach the high regeneration efficiency as high as 100%.Because of the good selectivity and regenerability of LZA,it might serve as a potenti way for advanced phosphate removal from the sewage containing other anions.

  19. Commentary on the Liquid Metallic Hydrogen Model of the Sun III. Insight into Solar Lithium Abundances

    Directory of Open Access Journals (Sweden)

    Robitaille P.-M.

    2013-04-01

    Full Text Available The apparent depletion of lithium represents one of the grea test challenges to modern gaseous solar models. As a result, lithium has been hypothes ized to undergo nuclear burning deep within the Sun. Conversely, extremely low lith ium abundances can be easily accounted for within the liquid metallic hydrogen mo del, as lithium has been hypothesized to greatly stabilize the formation of metalli c hydrogen (E. Zurek et al. A little bit of lithium does a lot for hydrogen. Proc. Nat. Acad. Sci. USA , 2009, v. 106, no. 42, 17640–17643. Hence, the abundances of lithium on th e solar surface can be explained, not by requiring the nuclear burning of this elem ent, but rather, by suggesting that the Sun is retaining lithium within the solar body in ord er to help stabilize its liquid metallic hydrogen lattice. Unlike lithium, many of t he other elements synthesized within the Sun should experience powerful lattice exclusio nary forces as they are driven out of the intercalate regions between the layered liquid me tallic hydrogen hexagonal planes (Robitaille J.C. and Robitaille P.M. Liquid Metalli c Hydrogen III. Intercalation and Lattice Exclusion Versus Gravitational Settling and Th eir Consequences Relative to Internal Structure, Surface Activity, and Solar Winds in the Sun. Progr. Phys ., 2013, v. 2, in press. As for lithium, its stabilizing role within t he solar interior helps to account for the lack of this element on the surface of the Sun.

  20. Numerical modeling and validation of wave heights and directionality in the ice using WAVEWATCH III

    Science.gov (United States)

    Ardhuin, Fabrice; Dumont, Dany; Accensi, Mickael; Sevigny, Caroline; Boutin, Guillaume; Rogers, Erick

    2016-04-01

    The poorly understood attenuation of waves, the key dynamic effect that defines the width of the Marginal Ice Zone, has been attributed to the combined effect of wave scattering and wave dissipation. Because scattering and dissipation have very different effects on the directional distribution of wave energy, it is possible to better understand the balance between scattering and dissipation by an analysis of the width of the directional wave spectrum. We have thus introduced dissipation and scattering terms in the spectral wave model WAVEWATCH III, and an estimation of the maximum ice floe size. Academic and realistic simulations show that the energy level and directional spreading far into the Arctic pack ice (Wadhams and Doble 2009) can be well explained by dissipative processes without the need for scattering. The same is true of observed swells in the Southern Ocean (Ardhuin et al. 2015). However, the dissipation level required to explain the observed wave height goes from 2 in the southern ocean to 12 times the viscous dissipation under a smooth ice plate. This and other data suggest that broken ice causes less dissipation than a continuous ice cover, possibly due to the dissipation by creep inside the ice when it is not broken and bends. Work is under way to parameterize that effect using the estimated maximum ice floe size.

  1. Maintenance of EGFR and EGFRvIII expressions in an in vivo and in vitro model of human glioblastoma multiforme

    DEFF Research Database (Denmark)

    Stockhausen, Marie-Thérése; Broholm, Helle; Villingshøj, Mette;

    2011-01-01

    with mutation of EGFR, and the constitutive activated deletion variant EGFRvIII is the most common EGFR mutation found in GBM. Activated EGFR signaling, through overexpression and/or mutation, is involved in increased tumorigenic potential. As such, EGFR is an attractive target for GBM therapy. However...... the expressions of EGFR and EGFRvIII are maintained both in xenograft tumors growing subcutaneously on mice and in cell cultures established in stem cell conditions. With this model it will be possible to further study the role of EGFR and EGFRvIII, and response to targeted therapy, in GBM.......Glioblastoma multiforme (GBM) is the most common, and most aggressive primary brain tumor among adults. A vast majority of the tumors express high levels of the epidermal growth factor receptor (EGFR) as a consequence of gene amplification. Furthermore, gene amplification is often associated...

  2. Spectroscopic, structural characterizations and antioxidant capacity of the chromium (III) niacinamide compound as a diabetes mellitus drug model.

    Science.gov (United States)

    Refat, Moamen S; El-Megharbel, Samy M; Hussien, M A; Hamza, Reham Z; Al-Omar, Mohamed A; Naglah, Ahmed M; Afifi, Walid M; Kobeasy, Mohamed I

    2017-02-15

    New binuclear chromium (III) niacinamide compound with chemical formula [Cr2(Nic)(Cl)6(H2O)4]·H2O was obtained upon the reaction of chromium (III) chloride with niacinamide (Nic) in methanol solvent at 60°C. The proposed structure was discussed with the help of microanalytical analyses, conductivity, spectroscopic (FT-IR and UV-vis.), magnetic calculations, thermogravimetric analyses (TG/TGA), and morphological studies (X-ray of solid powder and scan electron microscopy. The infrared spectrum of free niacinamide in comparison with its chromium (III) compound indicated that the chelation mode occurs via both nitrogen atoms of pyridine ring and primary -NH2 group. The efficiency of chromium (III) niacinamide compound in decreasing of glucose level of blood and HbA1c in case of diabetic rats was checked. The ameliorating gluconeogenic enzymes, lipid profile and antioxidant defense capacities are considered as an indicator of the efficiency of new chromium (III) compound as antidiabetic drug model.

  3. Spectroscopic, structural characterizations and antioxidant capacity of the chromium (III) niacinamide compound as a diabetes mellitus drug model

    Science.gov (United States)

    Refat, Moamen S.; El-Megharbel, Samy M.; Hussien, M. A.; Hamza, Reham Z.; Al-Omar, Mohamed A.; Naglah, Ahmed M.; Afifi, Walid M.; Kobeasy, Mohamed I.

    2017-02-01

    New binuclear chromium (III) niacinamide compound with chemical formula [Cr2(Nic)(Cl)6(H2O)4]·H2O was obtained upon the reaction of chromium (III) chloride with niacinamide (Nic) in methanol solvent at 60 °C. The proposed structure was discussed with the help of microanalytical analyses, conductivity, spectroscopic (FT-IR and UV-vis.), magnetic calculations, thermogravimetric analyses (TG/TGA), and morphological studies (X-ray of solid powder and scan electron microscopy. The infrared spectrum of free niacinamide in comparison with its chromium (III) compound indicated that the chelation mode occurs via both nitrogen atoms of pyridine ring and primary -NH2 group. The efficiency of chromium (III) niacinamide compound in decreasing of glucose level of blood and HbA1c in case of diabetic rats was checked. The ameliorating gluconeogenic enzymes, lipid profile and antioxidant defense capacities are considered as an indicator of the efficiency of new chromium (III) compound as antidiabetic drug model.

  4. Model predictions of realgar precipitation by reaction of As(III) with synthetic mackinawite under anoxic conditions

    Science.gov (United States)

    Gallegos, T.J.; Han, Y.-S.; Hayes, K.F.

    2008-01-01

    This study investigates the removal of As(III) from solution using mackinawite, a nanoparticulate reduced iron sulfide. Mackinawite suspensions (0.1-40 g/L) effectively lower initial concentrations of 1.3 ?? 10 -5 M As(III) from pH 5-10, with maximum removal occurring under acidic conditions. Based on Eh measurements, it was found that the redox state of the system depended on the mackinawite solids concentration and pH. Higher initial mackinawite concentrations and alkaline pH resulted in a more reducing redox condition. Given this, the pH edge data were modeled thermodynamically using pe (-log[e-]) as a fitting parameter and linear pe-pH relationships within the range of measured Eh values as a function of pH and mackinawite concentration. The model predicts removal of As(III) from solution by precipitation of realgar with the formation of secondary oxidation products, greigite or a mixed-valence iron oxide phase, depending on pH. This study demonstrates that mackinawite is an effective sequestration agent for As(III) and highlights the importance of incorporating redox into models describing the As-Fe-S-H2O system. ?? 2008 American Chemical Society.

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

    Energy Technology Data Exchange (ETDEWEB)

    Carmona, Ruben; Gulaya, Sachin; Murphy, James D. [Department of Radiation Medicine and Applied Sciences, University of California San Diego, La Jolla, California (United States); Rose, Brent S. [Harvard Radiation Oncology Program, Harvard Medical School, Boston, Massachusetts (United States); Wu, John; Noticewala, Sonal [Department of Radiation Medicine and Applied Sciences, University of California San Diego, La Jolla, California (United States); McHale, Michael T. [Department of Reproductive Medicine, Division of Gynecologic Oncology, University of California San Diego, La Jolla, California (United States); Yashar, Catheryn M. [Department of Radiation Medicine and Applied Sciences, University of California San Diego, La Jolla, California (United States); Vaida, Florin [Department of Family and Preventive Medicine, Biostatistics and Bioinformatics, University of California San Diego Medical Center, San Diego, California (United States); Mell, Loren K., E-mail: lmell@ucsd.edu [Department of Radiation Medicine and Applied Sciences, University of California San Diego, La Jolla, California (United States)

    2014-07-15

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

  6. Modeling and experimental assessment of a buried Leu–Ile mutation in dengue envelope domain III

    Energy Technology Data Exchange (ETDEWEB)

    Kulkarni, Manjiri R. [Department of Biotechnology and Life Science, Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Nakamachi, Koganei-shi, Tokyo, 184-8588 (Japan); Numoto, Nobutaka; Ito, Nobutoshi [Department of Structural Biology, Medical Research Institute, Tokyo Medical and Dental University, 1-5-45, Yushima Bunkyo-ku, Tokyo, 113-8510 (Japan); Kuroda, Yutaka, E-mail: ykuroda@cc.tuat.ac.jp [Department of Biotechnology and Life Science, Graduate School of Engineering, Tokyo University of Agriculture and Technology, 2-24-16, Nakamachi, Koganei-shi, Tokyo, 184-8588 (Japan)

    2016-02-26

    Envelope protein domain III (ED3) of the dengue virus is important for both antibody binding and host cell interaction. Here, we focused on how a L387I mutation in the protein core could take place in DEN4 ED3, but cannot be accommodated in DEN3 ED3 without destabilizing its structure. To this end, we modeled a DEN4-L387I structure using the Penultimate Rotamer Library and taking the DEN4 ED3 main-chain as a fixed template. We found that three out of seven Ile{sup 387} conformers fit in DEN4 ED3 without introducing the severe atomic clashes that are observed when DEN3 serotype’s ED3 is used as a template. A more extensive search using 273 side-chain rotamers of the residues surrounding Ile{sup 387} confirmed this prediction. In order to assess the prediction, we determined the crystal structure of DEN4-L387I at 2 Å resolution. Ile{sup 387} indeed adopted one of the three predicted rotamers. Altogether, this study demonstrates that the effects of single mutations are to a large extent successfully predicted by systematically modeling the side-chain structures of the mutated as well as those of its surrounding residues using fixed main-chain structures and assessing inter-atomic steric clashes. More accurate and reliable predictions require considering sub-angstrom main-chain deformation, which remains a challenging task. - Highlights: • We mutated L387I of DEN4 ED3 and examined its effects on structure and stability. • We modeled the side-chain of Ile{sup 387} using DEN4 ED3's structure as a template. • We determined the crystal structure of DEN4-L387I and confirmed the modeling. • Side-chain repacking occurring around Ile{sup 387} involved >3 inter-connected residues. • These results explained why L387I mutation in DEN4 ED3 conserves thermostability.

  7. Fibronectin unfolding revisited: modeling cell traction-mediated unfolding of the tenth type-III repeat.

    Directory of Open Access Journals (Sweden)

    Elaine P S Gee

    Full Text Available Fibronectin polymerization is essential for the development and repair of the extracellular matrix. Consequently, deciphering the mechanism of fibronectin fibril formation is of immense interest. Fibronectin fibrillogenesis is driven by cell-traction forces that mechanically unfold particular modules within fibronectin. Previously, mechanical unfolding of fibronectin has been modeled by applying tensile forces at the N- and C-termini of fibronectin domains; however, physiological loading is likely focused on the solvent-exposed RGD loop in the 10(th type-III repeat of fibronectin (10FNIII, which mediates binding to cell-surface integrin receptors. In this work we used steered molecular dynamics to study the mechanical unfolding of 10FNIII under tensile force applied at this RGD site. We demonstrate that mechanically unfolding 10FNIII by pulling at the RGD site requires less work than unfolding by pulling at the N- and C- termini. Moreover, pulling at the N- and C-termini leads to 10FNIII unfolding along several pathways while pulling on the RGD site leads to a single exclusive unfolding pathway that includes a partially unfolded intermediate with exposed hydrophobic N-terminal beta-strands - residues that may facilitate fibronectin self-association. Additional mechanical unfolding triggers an essential arginine residue, which is required for high affinity binding to integrins, to move to a position far from the integrin binding site. This cell traction-induced conformational change may promote cell detachment after important partially unfolded kinetic intermediates are formed. These data suggest a novel mechanism that explains how cell-mediated forces promote fibronectin fibrillogenesis and how cell surface integrins detach from newly forming fibrils. This process enables cells to bind and unfold additional fibronectin modules - a method that propagates matrix assembly.

  8. Sorption behavior of Eu(III) from an aqueous solution onto modified hydroxyapatite: kinetics, modeling and thermodynamics.

    Science.gov (United States)

    Gad, H M H; Youssef, M A

    2017-08-16

    Nano-pore hydroxyapatite (HAP) was prepared using physical activation of raw and chemically modified [using Acid; HNO3 (HAPA) or Base; NaOH (HAPB)] bone char (BC) by heating at 900°C for 1 hr to obtain HAP9, HAPA9 and HAPB9, respectively. Investigation the effects of thermal and chemical treatment of prepared nano-hydroxyapatite on elemental analysis, FTIR, scanning electron microscopy, surface area and consequently, the sorption behavior of Eu (III) ions onto the prepared nano-pore hydroxyapatite. Batch adsorption technique was used and the obtained results revealed that the optimum pH = 5.0. The % removal of europium (III) using HAPA9 and HAPB9 reach to 100% within 15 min, while HAP9 after 180 min and the pseudo-second-order was found to be fit to the experimental data. According to Langmuir model, the maximum sorption capacities (qm) were 123.8, 384.9 and 74.2 mg g(-1) for HAP9, HAPA9 and HAPB9, respectively. The reaction is spontaneous according to ΔG° value. HCl (0.5 M) was the most efficient desorbing agent for recovery of Eu(III) and regeneration of adsorbents. Finally, nano-pore hydroxyapatite (HAP) was low cost and very effective adsorbent for sorption or recovery of Eu(III) from aqueous solutions and remediation of environmental pollution.

  9. Quantum mechanical treatment of As(3+)-thiol model compounds: implication for the core structure of As(III)-metallothionein.

    Science.gov (United States)

    Garla, Roobee; Kaur, Narinder; Bansal, Mohinder Pal; Garg, Mohan Lal; Mohanty, Biraja Prasad

    2017-03-01

    Exposure to inorganic arsenic (As) is one of the major health concerns in several regions around the world. Binding of As(III) with thiols is central to the mechanisms related to its toxicity, detoxification, and therapeutic effects. Due to its high thiol content, metallothionein (MT) is presumed to play an important role in case of arsenic toxicity. Consequences of these As-thiol interactions are not yet clear due to various difficulties in the characterization of arsenic bound proteins by spectroscopic techniques. Computational modeling can be a reliable approach in predicting the molecular structures of such complexes. This paper presents the results of a systematic study on different As(III)-thiol model compounds conducted by both ab initio and DFT methods with different Gaussian type basis sets. Proficiency of these theoretical methods has been evaluated in terms of bond lengths, bond angles, free energy, partial atomic charges, computational cost, and comparison with the experimental data. It has been demonstrated that the DFT-B3LYP/6-311+G(3df) functional offers better accuracy in predicting the structure and the UV absorption spectra of As(III)-thiol complexes. The results of the present study also helps in defining the boundaries for the core of arsenic bound MT so that quantum mechanical/molecular mechanical (QM/MM) methods can be employed to predict the structural and functional aspects of the protein. Graphical Abstract Optimized structural parameters of As(3+)-thiol model compounds.

  10. Expression of metallothionein-I, -II, and -III in Alzheimer disease and animal models of neuroinflammation

    DEFF Research Database (Denmark)

    Hidalgo, Juan; Penkowa, Milena; Espejo, Carmen

    2006-01-01

    In recent years it has become increasingly clear that the metallothionein (MT) family of proteins is important in neurobiology. MT-I and MT-II are normally dramatically up-regulated by neuroinflammation. Results for MT-III are less clear. MTs could also be relevant in human neuropathology. In Alz...

  11. Enhanced FAA-hybrid III numerical dummy model in Madymo for aircraft occupant safety assessment

    NARCIS (Netherlands)

    Boucher, H.; Waagmeester, C.D.

    2003-01-01

    To improve survivability and to minimize the risk of injury to occupants in helicopter crash events, a complete Cabin Safety System concept including safety features and an enhanced FAA-Hybrid III dummy were developed within the HeliSafe project. A numerical tool was also created and validated to al

  12. Modeling, Growth and Characterization of III-V and Dilute Nitride Antimonide Materials and Solar Cells

    Science.gov (United States)

    Maros, Aymeric

    III-V multijunction solar cells have demonstrated record efficiencies with the best device currently at 46 % under concentration. Dilute nitride materials such as GaInNAsSb have been identified as a prime choice for the development of high efficiency, monolithic and lattice-matched multijunction solar cells as they can be lattice-matched to both GaAs and Ge substrates. These types of cells have demonstrated efficiencies of 44% for terrestrial concentrators, and with their upright configuration, they are a direct drop-in product for today's space and concentrator solar panels. The work presented in this dissertation has focused on the development of relatively novel dilute nitride antimonide (GaNAsSb) materials and solar cells using plasma-assisted molecular beam epitaxy, along with the modeling and characterization of single- and multijunction solar cells. Nitrogen-free ternary compounds such as GaInAs and GaAsSb were investigated first in order to understand their structural and optical properties prior to introducing nitrogen. The formation of extended defects and the resulting strain relaxation in these lattice-mismatched materials is investigated through extensive structural characterization. Temperature- and power-dependent photoluminescence revealed an inhomogeneous distribution of Sb in GaAsSb films, leading to carrier localization effects at low temperatures. Tuning of the growth parameters was shown to suppress these Sb-induced localized states. The introduction of nitrogen was then considered and the growth process was optimized to obtain high quality GaNAsSb films lattice-matched to GaAs. Near 1-eV single-junction GaNAsSb solar cells were produced. The best devices used a p-n heterojunction configuration and demonstrated a current density of 20.8 mA/cm2, a fill factor of 64 % and an open-circuit voltage of 0.39 V, corresponding to a bandgap-voltage offset of 0.57 V, comparable with the state-of-the-art for this type of solar cells. Post-growth annealing

  13. Two-Higgs-doublet type-II and -III models and t → ch at the LHC

    Energy Technology Data Exchange (ETDEWEB)

    Arhrib, A. [Universite Abdelmalek Essaadi, Departement de Mathematiques, Faculte des Sciences et Techniques, B. 416, Tangier (Morocco); National Center for Theoretical Sciences, Physics Division, Hsinchu (China); Benbrik, R. [Cadi Ayyad University, LPHEA, Semlalia, Marrakech (Morocco); Faculte Polydisciplinaire de Safi, MSISM Team, Sidi Bouzid, B.P 4162, Safi (Morocco); Chen, Chuan-Hung [National Cheng-Kung University, Department of Physics, Tainan (China); Gomez-Bock, Melina [Universidad de las Americas Puebla, DAFM, Cholula, PUE (Mexico); Semlali, Souad [Cadi Ayyad University, LPHEA, Semlalia, Marrakech (Morocco)

    2016-06-15

    We study the constraints of the generic two-Higgs-doublet model (2HDM) type-III and the impacts of the new Yukawa couplings. For comparisons, we revisit the analysis in the 2HDM type-II. To understand the influence of all involving free parameters and to realize their correlations, we employ a χ-square fitting approach by including theoretical and experimental constraints, such as the S, T, and U oblique parameters, the production of standard model Higgs and its decay to γγ, WW*/ZZ*, τ{sup +}τ{sup -}, etc. The errors of the analysis are taken at 68, 95.5, and 99.7% confidence levels. Due to the new Yukawa couplings being associated with cos(β - α) and sin(β - α), we find that the allowed regions for sin α and tan β in the type-III model can be broader when the dictated parameter χ{sub F} is positive; however, for negative χ{sub F}, the limits are stricter than those in the type-II model. By using the constrained parameters, we find that the deviation from the SM in h → Zγ can be of O(10 %). Additionally, we also study the top-quark flavor-changing processes induced at the tree level in the type-III model and find that when all current experimental data are considered, we get Br(t → c(h, H)) < 10{sup -3} for m{sub h} = 125.36 and m{sub h} = 150 GeV, and Br(t → cA) slightly exceeds 10{sup -3} for m{sub A} = 130 GeV. (orig.)

  14. Optimal III-nitride HEMTs: from materials and device design to compact model of the 2DEG charge density

    Science.gov (United States)

    Li, Kexin; Rakheja, Shaloo

    2017-02-01

    In this paper, we develop a physically motivated compact model of the charge-voltage (Q-V) characteristics in various III-nitride high-electron mobility transistors (HEMTs) operating under highly non-equilibrium transport conditions, i.e. high drain-source current. By solving the coupled Schrödinger-Poisson equation and incorporating the two-dimensional electrostatics in the channel, we obtain the charge at the top-of-the-barrier for various applied terminal voltages. The Q-V model accounts for cutting off of the negative momenta states from the drain terminal under high drain-source bias and when the transmission in the channel is quasi-ballistic. We specifically focus on AlGaN and AlInN as barrier materials and InGaN and GaN as the channel material in the heterostructure. The Q-V model is verified and calibrated against numerical results using the commercial TCAD simulator Sentaurus from Synopsys for a 20-nm channel length III-nitride HEMT. With 10 fitting parameters, most of which have a physical origin and can easily be obtained from numerical or experimental calibration, the compact Q-V model allows us to study the limits and opportunities of III-nitride technology. We also identify optimal material and geometrical parameters of the device that maximize the carrier concentration in the HEMT channel in order to achieve superior RF performance. Additionally, the compact charge model can be easily integrated in a hierarchical circuit simulator, such as Keysight ADS and CADENCE, to facilitate circuit design and optimization of various technology parameters.

  15. Developmental defects in a Caenorhabditis elegans model for type III galactosemia.

    Science.gov (United States)

    Brokate-Llanos, Ana M; Monje, José M; Murdoch, Piedad Del Socorro; Muñoz, Manuel J

    2014-12-01

    Type III galactosemia is a metabolic disorder caused by reduced activity of UDP-galactose-4-epimerase, which participates in galactose metabolism and the generation of various UDP-sugar species. We characterized gale-1 in Caenorhabditis elegans and found that a complete loss-of-function mutation is lethal, as has been hypothesized for humans, whereas a nonlethal partial loss-of-function allele causes a variety of developmental abnormalities, likely resulting from the impairment of the glycosylation process. We also observed that gale-1 mutants are hypersensitive to galactose as well as to infections. Interestingly, we found interactions between gale-1 and the unfolded protein response.

  16. Financial constraints in capacity planning: a national utility regulatory model (NUREG). Volume I of III: methodology. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1981-10-29

    This report develops and demonstrates the methodology for the National Utility Regulatory (NUREG) Model developed under contract number DEAC-01-79EI-10579. It is accompanied by two supporting volumes. Volume II is a user's guide for operation of the NUREG software. This includes description of the flow of software and data, as well as the formats of all user data files. Finally, Volume III is a software description guide. It briefly describes, and gives a listing of, each program used in NUREG.

  17. Structural safety evaluation of Karun III Dam and calibration of its finite element model using instrumentation and site observation

    Directory of Open Access Journals (Sweden)

    H. Mirzabozorg

    2014-06-01

    Full Text Available In the present paper, a comprehensive finite element model of Karun III double curvature arch dam is calibrated based on the micro geodesies measurements and instrumentation. Thermal properties of concrete are obtained by transient thermal analysis and the results are compared with those obtained from thermometers. Thermal analysis features include air temperature, water layers temperatures, and the solar radiation on the exposed faces. Structural calibration features include thermal distribution within the dam body, dam self-weight, hydrostatic pressure, and silt load applied on the model of dam–reservoir–foundation system. Finite element model calibration provides updated information related to the current dam status and can be used for further safety evaluations.

  18. Ultraviolet C II and Si III Transit Spectroscopy and Modeling of the Evaporating Atmosphere of GJ436b

    Science.gov (United States)

    Parke Loyd, R. O.; Koskinen, T. T.; France, Kevin; Schneider, Christian; Redfield, Seth

    2017-01-01

    Hydrogen gas evaporating from the atmosphere of the hot-Neptune GJ436b absorbs over 50% of the stellar Lyα emission during transit. Given the planet’s atmospheric composition and energy-limited escape rate, this hydrogen outflow is expected to entrain heavier atoms such as C and O. We searched for C and Si in the escaping atmosphere of GJ436b using far-ultraviolet Hubble Space Telescope COS G130M observations made during the planet’s extended H i transit. These observations show no transit absorption in the C ii 1334,1335 Å and Si iii 1206 Å lines integrated over [‑100, 100] km s‑1, imposing 95% (2σ) upper limits of 14% (C ii) and 60% (Si iii) depth on the transit of an opaque disk and 22% (C ii) and 49% (Si iii) depth on an extended highly asymmetric transit similar to that of H i Lyα. C+ is likely present in the outflow according to a simulation we carried out using a spherically symmetric photochemical-hydrodynamical model. This simulation predicts an ∼2% transit over the integrated bandpass, consistent with the data. At line center, we predict the C ii transit depth to be as high as 19%. Our model predicts a neutral hydrogen escape rate of 1.6× {10}9 g s‑1 (3.1× {10}9 g s‑1 for all species) for an upper atmosphere composed of hydrogen and helium.

  19. Constraining the Absolute Orientation of Eta Carinae's Binary Orbit: A 3-D Dynamical Model for the Broad [Fe III] Emission

    CERN Document Server

    Madura, Thomas I; Owocki, Stanley P; Groh, Jose H; Okazaki, Atsuo T; Russell, Christopher M P

    2011-01-01

    We present a three-dimensional (3-D) dynamical model for the broad [Fe III] emission observed in Eta Carinae using the Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS). This model is based on full 3-D Smoothed Particle Hydrodynamics (SPH) simulations of Eta Car's binary colliding winds. Radiative transfer codes are used to generate synthetic spectro-images of [Fe III] emission line structures at various observed orbital phases and STIS slit position angles (PAs). Through a parameter study that varies the orbital inclination i, the PA {\\theta} that the orbital plane projection of the line-of-sight makes with the apastron side of the semi-major axis, and the PA on the sky of the orbital axis, we are able, for the first time, to tightly constrain the absolute 3-D orientation of the binary orbit. To simultaneously reproduce the blue-shifted emission arcs observed at orbital phase 0.976, STIS slit PA = +38 degrees, and the temporal variations in emission seen at negative slit PAs, the binary ...

  20. Two-Higgs-Doublet type-II and -III models and $t\\to c h$ at the LHC

    CERN Document Server

    Arhrib, A; Chen, Chuan-Hung; Gomez-Bock, M; Semlali, S

    2015-01-01

    Based on the updated $8$ TeV LHC data for the Higgs searches, we study the constraints of generic two-Higgs-doublet model (2HDM) type-III and the impacts of the new Yukawa couplings. For comparisons, we revisit the analysis in 2HDM type-II. For understanding the influence of all involving free parameters and realizing their correlations, we employ $\\chi$-square fitting approach by including theoretical and experimental constraints, such as $B\\to X_s \\gamma$, $B_q-\\bar B_q$ mixing, S, T and U oblique parameters, the production of standard model Higgs and its decay to $\\gamma\\gamma$, $WW^*/ZZ^*$, $\\tau^+ \\tau^-$, etc. The errors of analysis are taken at $68\\%$, $95.5\\%$ and $99.7\\%$ confidence level. Due to the new Yukawa couplings being associated with $\\cos(\\alpha-\\beta)$ and $\\sin(\\alpha-\\beta)$, we find that the allowed regions for $\\sin\\alpha$ and $\\tan\\beta$ in type-III could be broader when the dictated parameter $\\chi_F$ is positive; however, for negative $\\chi_F$, the limits are more strict than those ...

  1. Evaluation of Simulated Marine Aerosol Production Using the WaveWatchIII Prognostic Wave Model Coupled to the Community Atmosphere Model within the Community Earth System Model

    Energy Technology Data Exchange (ETDEWEB)

    Long, M. S. [Harvard Univ., Cambridge, MA (United States). School of Engineering and Applied Sciences; Keene, William C. [Univ. of Virginia, Charlottesville, VA (United States). Dept. of Environmental Sciences; Zhang, J. [Univ. of North Dakota, Grand Forks, ND (United States). Dept. of Atmospheric Sciences; Reichl, B. [Univ. of Rhode Island, Narragansett, RI (United States). Graduate School of Oceanography; Shi, Y. [Univ. of North Dakota, Grand Forks, ND (United States). Dept. of Atmospheric Sciences; Hara, T. [Univ. of Rhode Island, Narragansett, RI (United States). Graduate School of Oceanography; Reid, J. S. [Naval Research Lab. (NRL), Monterey, CA (United States); Fox-Kemper, B. [Brown Univ., Providence, RI (United States). Earth, Environmental and Planetary Sciences; Craig, A. P. [National Center for Atmospheric Research, Boulder, CO (United States); Erickson, D. J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division; Ginis, I. [Univ. of Rhode Island, Narragansett, RI (United States). Graduate School of Oceanography; Webb, A. [Univ. of Tokyo (Japan). Dept. of Ocean Technology, Policy, and Environment

    2016-11-08

    Primary marine aerosol (PMA) is emitted into the atmosphere via breaking wind waves on the ocean surface. Most parameterizations of PMA emissions use 10-meter wind speed as a proxy for wave action. This investigation coupled the 3rd generation prognostic WAVEWATCH-III wind-wave model within a coupled Earth system model (ESM) to drive PMA production using wave energy dissipation rate – analogous to whitecapping – in place of 10-meter wind speed. The wind speed parameterization did not capture basin-scale variability in relations between wind and wave fields. Overall, the wave parameterization did not improve comparison between simulated versus measured AOD or Na+, thus highlighting large remaining uncertainties in model physics. Results confirm the efficacy of prognostic wind-wave models for air-sea exchange studies coupled with laboratory- and field-based characterizations of the primary physical drivers of PMA production. No discernible correlations were evident between simulated PMA fields and observed chlorophyll or sea surface temperature.

  2. Econometrics and data of the 9 sector Dynamic General Equilibrium Model. Volume III. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Berndt, E.R.; Fraumeni, B.M.; Hudson, E.A.; Jorgenson, D.W.; Stoker, T.M.

    1981-03-01

    This report presents the econometrics and data of the 9 sector Dynamic General Equilibrium Model. There are two key components of 9DGEM - the model of household behavior and the model of produconcrneer behavior. The household model is concerned with decisions on consumption, saving, labor supply and the composition of consumption. The producer model is concerned with output price formation and determination of input patterns and purchases for each of the nine producing sectors. These components form the behavioral basis of DGEM. The remaining components are concerned with constraints, balance conditions, accounting, and government revenues and expenditures (these elements are developed in the report on the model specification).

  3. DECOVALEX III PROJECT. Mathematical Models of Coupled Thermal-Hydro-Mechanical Processes for Nuclear Waste Repositories. Executive Summary

    Energy Technology Data Exchange (ETDEWEB)

    Jing, L.; Stephansson, O. [Royal Inst. of Technology, Stockholm (Sweden). Engineering Geology; Tsang, C.F. [Lawrence Berkely National Laboratory, Berkeley, CA (United States). Earth Science Div.; Mayor, J.C. [ENRESA, Madrid (Spain); Kautzky, F. [Swedish Nuclear Power Inspectorate, Stockholm (Sweden)] (eds.)

    2005-02-15

    DECOVALEX is an international consortium of governmental agencies associated with the disposal of high-level nuclear waste in a number of countries. The consortium's mission is the DEvelopment of COupled models and their VALidation against EXperiments. Hence the acronym/name DECOVALEX. Currently, agencies from Canada, Finland, France, Germany, Japan, Spain, Switzerland, Sweden, United Kingdom, and the United States are in DECOVALEX. Emplacement of nuclear waste in a repository in geologic media causes a number of physical processes to be intensified in the surrounding rock mass due to the decay heat from the waste. The four main processes of concern are thermal, hydrological, mechanical and chemical. Interactions or coupling between these heat-driven processes must be taken into account in modeling the performance of the repository for such modeling to be meaningful and reliable. DECOVALEX III is organized around four tasks. The FEBEX (Full-scale Engineered Barriers EXperiment) in situ experiment being conducted at the Grimsel site in Switzerland is to be simulated and analyzed in Task 1. Task 2, centered around the Drift Scale Test (DST) at Yucca Mountain in Nevada, USA, has several sub-tasks (Task 2A, Task 2B, Task 2C and Task 2D) to investigate a number of the coupled processes in the DST. Task 3 studies three benchmark problems: a) the effects of thermal-hydrologic-mechanical (THM) coupling on the performance of the near-field of a nuclear waste repository (BMT1); b) the effect of upscaling THM processes on the results of performance assessment (BMT2); and c) the effect of glaciation on rock mass behavior (BMT3). Task 4 is on the direct application of THM coupled process modeling in the performance assessment of nuclear waste repositories in geologic media. This executive summary presents the motivation, structure, objectives, approaches, and the highlights of the main achievements and outstanding issues of the tasks studied in the DECOVALEX III project

  4. DFT modeling and spectroscopic study of metal ligand bonding in La(III) complex of coumarin-3-carboxylic acid

    Science.gov (United States)

    Mihaylov, Tz.; Trendafilova, N.; Kostova, I.; Georgieva, I.; Bauer, G.

    2006-09-01

    The binding mode of coumarin-3-carboxylic acid (HCCA) to La(III) is elucidated at experimental and theoretical level. The complexation ability of the deprotonated ligand (CCA -) to La(III) is studied using elemental analysis, DTA and TGA data as well as FTIR, 1H NMR and 13C NMR spectra. The experimental data suggest the complex formula La(CCA) 2(NO 3)(H 2O) 2. B3LYP, BHLYP, B3P86, B3PW91, PW91P86 and MPW1PW91 functionals are tested for geometry and frequency calculations of the neutral ligand and all of them show bond length deviations bellow 1%. B3LYP/6-31G(d) level combined with large quasi-relativistic effective core potential for lanthanum is selected to describe the molecular, electronic and vibrational structures as well as the conformational behavior of HCCA, CCA - and La-CCA complex. The metal-ligand binding mode is predicted through molecular modeling and energy estimation of different La-CCA structures. The calculated atomic charges and the bonding orbital polarizations point to strong ionic metal-ligand bonding in La-CCA complex and insignificant donor acceptor interaction. Detailed vibrational analysis of HCCA, CCA - and La(CCA) 2(NO 3)(H 2O) 2 systems based on both calculated and experimental frequencies confirms the suggested metal-ligand binding mode.

  5. The use of artificial neural network for modelling of phycoremediation of toxic elements As(III) and As(V) from wastewater using Botryococcus braunii

    Science.gov (United States)

    Podder, M. S.; Majumder, C. B.

    2016-02-01

    In the present study, a thorough investigation has been done on the removal efficiency of both As(III) and As (V) from synthetic wastewater by phycoremediation of Botryococcus braunii algal biomass. Artificial neural networks (ANNs) are practised for predicting % phycoremediation efficiency of both As(III) and As(V) ions. The influence of several parameters for example initial pH, inoculum size, contact time and initial arsenic concentration (either As(III) or As(V)) was examined systematically. The maximum phycoremediation of As(III) and As(V) was found to be 85.22% and 88.15% at pH 9.0, equilibrium time of 144 h by using algal inoculum size of 10% (v/v) and initial arsenic concentration of 50 mg/L. The data acquired from laboratory scale experimental set up was utilized for training a three-layer feed-forward back propagation (BP) with Levenberg-Marquardt (LM) training algorithm having 4:5:1 architecture. A comparison between the experimental data and model outputs provided a high correlation coefficient (R2all_ANN equal to 0.9998) and exhibited that the model was capable for predicting the phycoremediation of both As(III) and As(V) from wastewater. The network topology was optimized by changing number of neurons in hidden layers. ANNs are efficient to model and simulate highly non-liner multivariable relationships. Absolute error and Standard deviation (SD) with respect to experimental output were calculated for ANN model outputs. The comparison of phycoremediation efficiencies of both As(III) and As(V) between experimental results and ANN model outputs exhibited that ANN model can determine the behaviour of As(III) and As(V) elimination process under various circumstances.

  6. The use of artificial neural network for modelling of phycoremediation of toxic elements As(III) and As(V) from wastewater using Botryococcus braunii.

    Science.gov (United States)

    Podder, M S; Majumder, C B

    2016-02-15

    In the present study, a thorough investigation has been done on the removal efficiency of both As(III) and As (V) from synthetic wastewater by phycoremediation of Botryococcus braunii algal biomass. Artificial neural networks (ANNs) are practised for predicting % phycoremediation efficiency of both As(III) and As(V) ions. The influence of several parameters for example initial pH, inoculum size, contact time and initial arsenic concentration (either As(III) or As(V)) was examined systematically. The maximum phycoremediation of As(III) and As(V) was found to be 85.22% and 88.15% at pH9.0, equilibrium time of 144h by using algal inoculum size of 10% (v/v) and initial arsenic concentration of 50mg/L. The data acquired from laboratory scale experimental set up was utilized for training a three-layer feed-forward back propagation (BP) with Levenberg-Marquardt (LM) training algorithm having 4:5:1 architecture. A comparison between the experimental data and model outputs provided a high correlation coefficient (R(2)all_ANN equal to 0.9998) and exhibited that the model was capable for predicting the phycoremediation of both As(III) and As(V) from wastewater. The network topology was optimized by changing number of neurons in hidden layers. ANNs are efficient to model and simulate highly non-liner multivariable relationships. Absolute error and Standard deviation (SD) with respect to experimental output were calculated for ANN model outputs. The comparison of phycoremediation efficiencies of both As(III) and As(V) between experimental results and ANN model outputs exhibited that ANN model can determine the behaviour of As(III) and As(V) elimination process under various circumstances.

  7. Development of a plate-type fuel model for the neutronics and thermal-hydraulics coupled code - SIMMER-III - and its application to the analyses of SPERT

    Energy Technology Data Exchange (ETDEWEB)

    Liu Ping, E-mail: ping.liu@areva.co [Karlsruhe Institute of Technology (KIT), Institute for Nuclear and Energy Technologies (IKET), P.O. Box 3640, D-76021 Karlsruhe (Germany); Gabrielli, Fabrizio; Rineiski, Andrei; Maschek, Werner [Karlsruhe Institute of Technology (KIT), Institute for Nuclear and Energy Technologies (IKET), P.O. Box 3640, D-76021 Karlsruhe (Germany); Bruna, Giovanni B. [Reactor Safety Division, French Institute for Radioprotection and Nuclear Safety (IRSN), B.P. 17, 92262 Fontenay aux Roses Cedex (France)

    2010-10-15

    SIMMER-III, a neutronics and thermal-hydraulics coupled code, was originally developed for core disruptive accident analyses of liquid metal cooled fast reactors. Due to its versatility in investigating scenarios of core disruption, the code has also been extended to the simulation of transients in thermal neutron systems such as the criticality accident at the JCO fuel fabrication plant, and, in recent years, applied to water-moderated thermal research reactor transient studies, too. Originally, SIMMER considered only cylindrical fuel pin geometry. Therefore, implementation of a plate-type fuel model to the SIMMER-III code is of importance for the analysis of research reactors adopting this kind of fuel. Furthermore, validation of the SIMMER-III modeling of light water-cooled thermal reactor reactivity initiated transients is of necessity. This paper presents the work carried out on the SIMMER-III code in the framework of a KIT and IRSN joint activity aimed at providing the code with experimental reactor transient study capabilities. The first step of the job was the implementation of a new fuel model in SIMMER-III. Verification on this new model indicates that it can well simulate the steady-state temperature profile in the fuel. Secondly, three cases with the shortest reactor periods of 5.0 ms, 4.6 ms and 3.2 ms among the Special Power Excursion Reactor Tests (SPERT) performed in the SPERT I D-12/25 facility have been simulated. Comparison of the results between the SIMMER-III simulation and the reported SPERT results indicates that although there is space for further improvement on the modeling of negative feedback mechanisms, with this plate-type fuel model SIMMER-III can well represent the transient phenomena of reactivity driven power excursion.

  8. Metallothionein-I and -III expression in animal models of Alzheimer disease

    DEFF Research Database (Denmark)

    Carrasco, J; Adlard, P; Cotman, C

    2006-01-01

    diseases, the use of animal models is a valuable tool. Several transgenic mouse models of AD amyloid deposits are currently available. These models express human beta-amyloid precursor protein (AbetaPP) carrying different mutations that subsequently result in a varied pattern of beta-amyloid (Abeta...... suggesting that the various MT isoforms may have different roles in these experimental systems, and perhaps also in human AD....

  9. The Translation Invariant Massive Nelson Model: III. Asymptotic Completeness Below the Two-Boson Threshold

    Science.gov (United States)

    Dybalski, Wojciech; Møller, Jacob Schach

    2015-11-01

    We show asymptotic completeness of two-body scattering for a class of translation invariant models describing a single quantum particle (the electron) linearly coupled to a massive scalar field (bosons). Our proof is based on a recently established Mourre estimate for these models. In contrast to previous approaches, it requires no number cutoff, no restriction on the particle-field coupling strength, and no restriction on the magnitude of total momentum. Energy, however, is restricted by the two-boson threshold, admitting only scattering of a dressed electron and a single asymptotic boson. The class of models we consider include the UV-cutoff Nelson and polaron models.

  10. Constraining the Absolute Orientation of eta Carinae's Binary Orbit: A 3-D Dynamical Model for the Broad [Fe III] Emission

    Science.gov (United States)

    Madura, T. I.; Gull, T. R.; Owocki, S. P.; Groh, J. H.; Okazaki, A. T.; Russell, C. M. P.

    2011-01-01

    We present a three-dimensional (3-D) dynamical model for the broad [Fe III] emission observed in Eta Carinae using the Hubble Space Telescope/Space Telescope Imaging Spectrograph (HST/STIS). This model is based on full 3-D Smoothed Particle Hydrodynamics (SPH) simulations of Eta Car's binary colliding winds. Radiative transfer codes are used to generate synthetic spectro-images of [Fe III] emission line structures at various observed orbital phases and STIS slit position angles (PAs). Through a parameter study that varies the orbital inclination i, the PA(theta) that the orbital plane projection of the line-of-sight makes with the apastron side of the semi-major axis, and the PA on the sky of the orbital axis, we are able, for the first time, to tightly constrain the absolute 3-D orientation of the binary orbit. To simultaneously reproduce the blue-shifted emission arcs observed at orbital phase 0.976, STIS slit PA = +38deg, and the temporal variations in emission seen at negative slit PAs, the binary needs to have an i approx. = 130deg to 145deg, Theta approx. = -15deg to +30deg, and an orbital axis projected on the sky at a P A approx. = 302deg to 327deg east of north. This represents a system with an orbital axis that is closely aligned with the inferred polar axis of the Homunculus nebula, in 3-D. The companion star, Eta(sub B), thus orbits clockwise on the sky and is on the observer's side of the system at apastron. This orientation has important implications for theories for the formation of the Homunculus and helps lay the groundwork for orbital modeling to determine the stellar masses.

  11. Long-Term Study of Children With ROME III Functional Gastrointestinal Disorders Managed Symptomatically in a Biopsychosocial Model.

    Science.gov (United States)

    Madani, Shailender; Parikh, Suchi; Madani, Rohit S; Krasaelap, Amornluck

    2017-04-01

    Our study evaluated progression of and identified potential factors contributing to outcomes of ROME III defined-functional gastrointestinal disorders (FGIDs) in children treated symptomatically in a biopsychosocial model of care with a long-term follow-up. We performed a retrospective review of pediatric patients who were diagnosed with ROME III defined-FGIDs including functional abdominal pain, functional dyspepsia, irritable bowel syndrome and abdominal migraine. Patients were managed symptomatically in a biopsychosocial model of care from the time of initial diagnosis. Demographics, management, progression and response to treatment assessed as complete, partial, and no improvement were reviewed. Two hundred fifty-eight patients were included with mean age of 10.6 years, female 55.4%, mean number of encounters 3.3 visits, and mean follow-up was 18.7 months (range 2 - 59, SD 15.8). Diagnoses were functional abdominal pain 45%, irritable bowel syndrome 20.9%, multiple 13.2%, functional dyspepsia 12.8%, and abdominal migraine 8.1%. Investigations were performed in most patients: laboratory studies in 93.4% (non-contributory abnormal 23.6%), imaging studies in 45.3% (non-contributory abnormal 5%) and endoscopies in 43.0% (non-contributory abnormal 1.2%). Treatment included medication in 93.7%, and surgery in 1.9% (normal pathology). There were new functional gastrointestinal diagnosis in 11.6%, evolution of FGIDs, from one to another in 12.0%, and recurrence found in 35.7% of patients. There were 60.1% patients in the complete improvement group (CIG) and 39.1% in the partial/no improvement group (PIG/NIG). No statistical difference was found between CIG and PIG/NIG regarding demographics or evaluation. PIG/NIG had more encounters (mean 3.63 vs. 3.11; P = 0.03), had non-contributory lab abnormalities (34.4% vs. 20.0%; P = 0.01), needed more endoscopies (52.4% vs. 36.8%; P = 0.02), required more treatment changes (mean 1.41 vs. 0.81; P ROME III defined-FGIDs who

  12. Ethanol mediated As(III) adsorption onto Zn-loaded pinecone biochar: Experimental investigation, modeling, and optimization using hybrid artificial neural network-genetic algorithm approach.

    Science.gov (United States)

    Zafar, Mohd; Van Vinh, N; Behera, Shishir Kumar; Park, Hung-Suck

    2017-04-01

    Organic matters (OMs) and their oxidization products often influence the fate and transport of heavy metals in the subsurface aqueous systems through interaction with the mineral surfaces. This study investigates the ethanol (EtOH)-mediated As(III) adsorption onto Zn-loaded pinecone (PC) biochar through batch experiments conducted under Box-Behnken design. The effect of EtOH on As(III) adsorption mechanism was quantitatively elucidated by fitting the experimental data using artificial neural network and quadratic modeling approaches. The quadratic model could describe the limiting nature of EtOH and pH on As(III) adsorption, whereas neural network revealed the stronger influence of EtOH (64.5%) followed by pH (20.75%) and As(III) concentration (14.75%) on the adsorption phenomena. Besides, the interaction among process variables indicated that EtOH enhances As(III) adsorption over a pH range of 2 to 7, possibly due to facilitation of ligand-metal(Zn) binding complexation mechanism. Eventually, hybrid response surface model-genetic algorithm (RSM-GA) approach predicted a better optimal solution than RSM, i.e., the adsorptive removal of As(III) (10.47μg/g) is facilitated at 30.22mg C/L of EtOH with initial As(III) concentration of 196.77μg/L at pH5.8. The implication of this investigation might help in understanding the application of biochar for removal of various As(III) species in the presence of OM. Copyright © 2016. Published by Elsevier B.V.

  13. Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships.

    Science.gov (United States)

    Zukowska, Barbara; Breivik, Knut; Wania, Frank

    2006-04-15

    We recently proposed how to expand the applicability of multimedia models towards polar organic chemicals by expressing environmental phase partitioning with the help of poly-parameter linear free energy relationships (PP-LFERs). Here we elaborate on this approach by applying it to three pharmaceutical substances. A PP-LFER-based version of a Level III fugacity model calculates overall persistence, concentrations and intermedia fluxes of polar and non-polar organic chemicals between air, water, soil and sediments at steady-state. Illustrative modeling results for the pharmaceuticals within a defined coastal region are presented and discussed. The model results are highly sensitive to the degradation rate in water and the equilibrium partitioning between organic carbon and water, suggesting that an accurate description of this particular partitioning equilibrium is essential in order to obtain reliable predictions of environmental fate. The PP-LFER based modeling approach furthermore illustrates that the greatest mobility in aqueous phases may be experienced by pharmaceuticals that combines a small molecular size with strong H-acceptor properties.

  14. Evaluating the environmental fate of pharmaceuticals using a level III model based on poly-parameter linear free energy relationships

    Energy Technology Data Exchange (ETDEWEB)

    Zukowska, Barbara [Department of Analytical Chemistry, Chemical Faculty, Gdansk University of Technology, 11/12 G. Narutowicza St., 80-952 Gdansk (Poland); Breivik, Knut [NILU- Norwegian Institute for Air Research, P.O. Box 100, NO-2027 Kjeller (Norway)]. E-mail: knut.breivik@nilu.no; Wania, Frank [Department of Physical and Environmental Sciences, University of Toronto at Scarborough, 1265 Military Trail, Scarborough, Ontario, M1C 1A4 (Canada)

    2006-04-15

    We recently proposed how to expand the applicability of multimedia models towards polar organic chemicals by expressing environmental phase partitioning with the help of poly-parameter linear free energy relationships (PP-LFERs). Here we elaborate on this approach by applying it to three pharmaceutical substances. A PP-LFER-based version of a Level III fugacity model calculates overall persistence, concentrations and intermedia fluxes of polar and non-polar organic chemicals between air, water, soil and sediments at steady-state. Illustrative modeling results for the pharmaceuticals within a defined coastal region are presented and discussed. The model results are highly sensitive to the degradation rate in water and the equilibrium partitioning between organic carbon and water, suggesting that an accurate description of this particular partitioning equilibrium is essential in order to obtain reliable predictions of environmental fate. The PP-LFER based modeling approach furthermore illustrates that the greatest mobility in aqueous phases may be experienced by pharmaceuticals that combines a small molecular size with strong H-acceptor properties.

  15. River water quality model no. 1 (RWQM1): III. Biochemical submodel selection

    DEFF Research Database (Denmark)

    Vanrolleghem, P.; Borchardt, D.; Henze, Mogens

    2001-01-01

    The new River Water Quality Model no.1 introduced in the two accompanying papers by Shanahan et al. and Reichert et al. is comprehensive. Shanahan et al. introduced a six-step decision procedure to select the necessary model features for a certain application. This paper specifically addresses on...

  16. Everyone Wants to Be a Model Teacher: Part III: Extensions to Atomic Structures and Bonding.

    Science.gov (United States)

    Schrader, C. L.

    1985-01-01

    Describes activities in which students: (1) propose creative atomic models that account for observed properties and predict additional experimental data; (2) calculate empirical formulas for 27 binary compounds; (3) propose a model to explain why certain elements have certain valences; and (4) arrange hypothetical elements into a periodic chart.…

  17. River water quality model no. 1 (RWQM1): III. Biochemical submodel selection

    DEFF Research Database (Denmark)

    Vanrolleghem, P.; Borchardt, D.; Henze, Mogens;

    2001-01-01

    The new River Water Quality Model no.1 introduced in the two accompanying papers by Shanahan et al. and Reichert et al. is comprehensive. Shanahan et al. introduced a six-step decision procedure to select the necessary model features for a certain application. This paper specifically addresses one...

  18. Almost-Commutative Geometries Beyond the Standard Model III: Vector Doublets

    CERN Document Server

    Squellari, Romain

    2007-01-01

    We will present a new extension of the standard model of particle physics in its almostcommutative formulation. This extension has as its basis the algebra of the standard model with four summands [11], and enlarges only the particle content by an arbitrary number of generations of left-right symmetric doublets which couple vectorially to the U(1)_YxSU(2)_w subgroup of the standard model. As in the model presented in [8], which introduced particles with a new colour, grand unification is no longer required by the spectral action. The new model may also possess a candidate for dark matter in the hundred TeV mass range with neutrino-like cross section.

  19. Crack tip fields in elastic-plastic and mixed mode I+II+III conditions, finite elements simulations and modeling

    Directory of Open Access Journals (Sweden)

    F. Fremy,

    2015-07-01

    Full Text Available This paper is devoted to the analysis of the load path effect on I+II+III mixed mode fatigue crack propagation in a 316L stainless steel. Experiments were conducted in mode I+II and in mode I+II+III. The same maximum, minimum and mean values of the stress intensity factors were used for each loading path in the experiments. The main result of this set of experiments is that very different crack growth rates and crack paths are observed for load paths that are however considered as equivalent in most fatigue criteria. The experiments conducted in mode I+II and in mode I+II+III, also allowed to show that the addition of mode III loading steps to a mode I+II loading sequence is increasing the fatigue crack growth rate, even when the crack path is not significantly modified.

  20. ENTHALPY-BASED THERMAL EVOLUTION OF LOOPS. III. COMPARISON OF ZERO-DIMENSIONAL MODELS

    Energy Technology Data Exchange (ETDEWEB)

    Cargill, P. J. [Space and Atmospheric Physics, Blackett Laboratory, Imperial College, London SW7 2BW (United Kingdom); Bradshaw, S. J. [Department of Physics and Astronomy, Rice University, Houston TX 77005 (United Kingdom); Klimchuk, J. A. [NASA Goddard Space Flight Center, Solar Physics Laboratory, Code 671, Greenbelt, MD 20771 (United States)

    2012-10-10

    Zero-dimensional (0D) hydrodynamic models provide a simple and quick way to study the thermal evolution of coronal loops subjected to time-dependent heating. This paper presents a comparison of a number of 0D models that have been published in the past and is intended to provide a guide for those interested in either using the old models or developing new ones. The principal difference between the models is the way the exchange of mass and energy between corona, transition region, and chromosphere is treated, as plasma cycles into and out of a loop during a heating-cooling cycle. It is shown that models based on the principles of mass and energy conservation can give satisfactory results at some or, in the case of the Enthalpy-based Thermal Evolution of Loops model, all stages of the loop evolution. Empirical models can have significant difficulties in obtaining accurate behavior due to invocation of assumptions incompatible with the correct exchange of mass and energy between corona, transition region, and chromosphere.

  1. Charge state evolution in the solar wind. III. Model comparison with observations

    Energy Technology Data Exchange (ETDEWEB)

    Landi, E.; Oran, R.; Lepri, S. T.; Zurbuchen, T. H.; Fisk, L. A.; Van der Holst, B. [Department of Atmospheric, Oceanic and Space Sciences, University of Michigan, Ann Arbor, MI 48109 (United States)

    2014-08-01

    We test three theoretical models of the fast solar wind with a set of remote sensing observations and in-situ measurements taken during the minimum of solar cycle 23. First, the model electron density and temperature are compared to SOHO/SUMER spectroscopic measurements. Second, the model electron density, temperature, and wind speed are used to predict the charge state evolution of the wind plasma from the source regions to the freeze-in point. Frozen-in charge states are compared with Ulysses/SWICS measurements at 1 AU, while charge states close to the Sun are combined with the CHIANTI spectral code to calculate the intensities of selected spectral lines, to be compared with SOHO/SUMER observations in the north polar coronal hole. We find that none of the theoretical models are able to completely reproduce all observations; namely, all of them underestimate the charge state distribution of the solar wind everywhere, although the levels of disagreement vary from model to model. We discuss possible causes of the disagreement, namely, uncertainties in the calculation of the charge state evolution and of line intensities, in the atomic data, and in the assumptions on the wind plasma conditions. Last, we discuss the scenario where the wind is accelerated from a region located in the solar corona rather than in the chromosphere as assumed in the three theoretical models, and find that a wind originating from the corona is in much closer agreement with observations.

  2. Multi-group covariance and mean structure modeling of the relationship between the WAIS-III common factors and sex and educational attainment in Spain

    NARCIS (Netherlands)

    Dolan, C.V.; Colom, R.; Abad, F.J.; Wicherts, J.M.; Hessen, D.J.; van de Sluis, S.

    2006-01-01

    We investigated sex effects and the effects of educational attainment (EA) on the covariance structure of the WAIS-III in a subsample of the Spanish standardization data. We fitted both first order common factor models and second order common factor models. The latter include general intelligence (g

  3. Wavelength-Dependent Second Harmonic Generation Circular Dichroism for Differentiation of Col I and Col III Isoforms in Stromal Models of Ovarian Cancer Based on Intrinsic Chirality Differences.

    Science.gov (United States)

    Campbell, Kirby R; Campagnola, Paul J

    2017-03-02

    Extensive remodeling of the extracellular matrix (ECM) occurs in many epithelial cancers. For example, in ovarian cancer, upregulation of collagen isoform type III has been linked to invasive forms of the disease, and this change may be a potential biomarker. To examine this possibility, we implemented wavelength-dependent second harmonic generation circular dichroism (SHG-CD) imaging microscopy to quantitatively determine changes in chirality in ECM models comprised of different Col I/Col III composition. In these models, Col III was varied between 0 and 40%, and we found increasing Col III results in reduced net chirality, consistent with structural biology studies of Col I and III in tissues where the isoforms comingle in the same fibrils. We further examined the wavelength dependence of the SHG-CD to both optimize the response and gain insight into the underlying mechanism. We found using shorter SHG excitation wavelengths resulted in increased SHG-CD sensitivity, where this is consistent with the electric-dipole-coupled oscillator model suggested previously for the nonlinear chirality response from thin films. Moreover, the sensitivity is further consistent with the wavelength dependency of SHG intensity fit to a two-state model of the two-photon absorption in collagen. We also provide experimental calibration protocols to implement the SHG-CD modality on a laser scanning microscope. We last suggest that the technique has broad applicability in probing a wide range of diseased states with changes in collagen molecular structure.

  4. Oscillations of low-current electrical discharges between parallel-plane electrodes. III. Models

    Science.gov (United States)

    Phelps, A. V.; Petrović, Z. Lj.; Jelenković, B. M.

    1993-04-01

    Simple models are developed to describe the results of measurements of the oscillatory and negative differential resistance properties of low- to moderate-current discharges in parallel-plane geometry. The time-dependent model assumes that the ion transit time is fixed and is short compared to the times of interest, that electrons are produced at the cathode only by ions, and that space-charge distortion of the electric field is small but not negligible. Illustrative numerical solutions are given for large voltage and current changes and analytic solutions for the time dependence of current and voltage are obtained in the small-signal limit. The small-signal results include the frequency and damping constants for decaying oscillations following a voltage change or following the injection of photoelectrons. The conditions for underdamped, overdamped, and self-sustained or growing oscillations are obtained. A previously developed steady-state, nonequilibrium model for low-pressure hydrogen discharges that includes the effects of space-charge distortion of the electric field on the yield of electrons at the cathode is used to obtain the negative differential resistance. Analytic expressions for the differential resistance and capacitance are developed using the steady-state, local-equilibrium model for electron and ion motion and a first-order perturbation treatment of space-charge electric fields. These models generally show good agreement with data from dc and pulsed discharge experiments presented in the accompanying papers.

  5. Development og groundwater flow modeling techniques for the low-level radwaste disposal (III)

    Energy Technology Data Exchange (ETDEWEB)

    Bae, Dae-Seok; Kim, Chun-Soo; Kim, Kyung-Soo; Park, Byung-Yoon; Koh, Yong-Kweon; Park, Hyun-Soo [Korea Atomic Energy Research Institute, Taejeon (Korea)

    2000-12-01

    The project amis to establish the methodology of hydrogeologic assessment by the field application of the evaluation techniques gained and accumulated from the previous hydrogeological research works in Korea. The results of the project and their possible areas for application are (1) acquisition of detailed hydrogeologic information by using a borehole televiewer and a multipacker system, (2) establishing an integrated hydrogeological assessment method for fractured rocks, (3) acquisition of the fracture parameters for fracture modeling, (4) an inversion analysis of hydraulic parameters from fracture network modeling, (5) geostatistical methods for the spatial assignment of hydraulic parameters for fractured rocks, and (6) establishing the groundwater flow modeling procedure for a repository. 75 refs., 72 figs., 34 tabs. (Author)

  6. Simulating the All-Order Strong Coupling Expansion III: O(N) sigma/loop models

    CERN Document Server

    Wolff, Ulli

    2009-01-01

    We reformulate the O(N) sigma model as a loop model whose configurations are the all-order strong coupling graphs of the original model. The loop configurations are represented by a pointer list in the computer and a Monte Carlo update scheme is proposed. Sample simulations are reported and the method turns out to be similarly efficient as the reflection cluster method, but it has greater potential for systematic generalization to other lattice field theories. A variant action suggested by the method is also simulated and leads to a rather extreme demonstration of the concept of universality of the scaling or continuum limit. {\\it I would like to dedicate this paper to Martin L\\"uscher on the occasion of his sixtieth birthday. I thank him for his superb contributions to quantum field theory and for the privilege to collaborate with him.}

  7. Mathematical modeling of the heat treatment and combustion of a coal particle. III. Volatile escape stage

    Science.gov (United States)

    Enkhjargal, Kh.; Salomatov, V. V.

    2011-05-01

    The present paper is a continuation of previous publications of the authors in this journal in which two phases of the multistage process of combustion of a coal particle were considered in detail with the help of mathematical modeling: its radiation-convection heating and drying. In the present work, the escape dynamics of volatiles is investigated. The physico-mathematical model of the thermodestruction of an individual coal particle with a dominant influence of endothermal effects has been formulated. Approximate-analytical solutions of this model that are of paramount importance for detailed analysis of the influence of the physical and regime parameters on the escape dynamics of volatiles have been found. The results obtained form the basis for engineering calculations of the volatile escape stage and can be used successfully in the search for effective regimes of burning of various solid fuels, in particular, Shivé-Ovoos coal of Mongolia.

  8. Modeling optical and UV polarization of AGNs III. From uniform-density to clumpy regions

    CERN Document Server

    Marin, F; Gaskell, C M

    2015-01-01

    A growing body of evidence suggests that part of, if not all, scattering regions of active galactic nuclei (AGNs) are clumpy. Hence. in this paper, we run radiative transfer models in the optical/UV for a variety of AGN reprocessing regions with different distributions of clumpy scattering media. We use the latest version of the Monte Carlo code STOKES presented in the first two papers of this series to model AGN reprocessing regions of increasing morphological complexity. We replace previously uniform-density media with up to thousands of constant-density clumps. We couple a continuum source to fragmented equatorial scattering regions, polar outflows, and toroidal, obscuring dust regions and investigate a wide range of geometries. We also consider different levels of fragmentation in each scattering region to evaluate importance of fragmentation for the net polarization of the AGN. We find that, in comparison with uniform-density models, equatorial distributions of gas and dust clouds result in grayer spectr...

  9. Clinical inferences and decisions--III. Utility assessment and the Bayesian decision model.

    Science.gov (United States)

    Aspinall, P A; Hill, A R

    1984-01-01

    It is accepted that errors of misclassifications, however small, can occur in clinical decisions but it cannot be assumed that the importance associated with false positive errors is the same as that for false negatives. The relative importance of these two types of error is frequently implied by a decision maker in the different weighting factors or utilities he assigns to the alternative consequences of his decisions. Formal procedures are available by which it is possible to make explicit in numerical form the value or worth of the outcome of a decision process. The two principal methods are described for generating utilities as associated with clinical decisions. The concept and application of utility is then expanded from a unidimensional to a multidimensional problem where, for example, one variable may be state of health and another monetary assets. When combined with the principles of subjective probability and test criterion selection outlined in Parts I and II of this series, the consequent use of utilities completes the framework upon which the general Bayesian model of clinical decision making is based. The five main stages in this general decision making model are described and applications of the model are illustrated with clinical examples from the field of ophthalmology. These include examples for unidimensional and multidimensional problems which are worked through in detail to illustrate both the principles and methodology involved in a rationalized normative model of clinical decision making behaviour.

  10. VizieR Online Data Catalog: Stellar models until He burning - III. (Claret+, 1997)

    Science.gov (United States)

    Claret, A.

    1997-04-01

    In this Paper I present grids for the stellar models with a slightly higher metallic content than in the previous works (Claret, 1995A&AS..109..441C; Claret & Gimenez, 1995A&AS..114..549C), say, Z=0.03. The initial helium abundances in mass are Yi=0.42, 0.32 and 0.22; this last value was used only to facilitate interpolations since it is a little bit smaller than the primordial helium abundance. The present computations are based on the radiative opacities with spin-orbi t coupling provided by the Lawrence Livermore group (Iglesias et al., 1992ApJ...397..771I). For the lower temperatures I have used the results by Alexander (1992, priv. comm.). Core overshooting was taken into account as well as mass loss. The models presented here cover the mass range between 1 and 40M⊙. I also compute for all models the internal structure constants kj and the radius of gyration β. For the first time the calculation of the tidal constants E2 and λ2, which are used to evaluate circularization and synchronization times in binary stars, are presented for stellar models as a function of the initial mass and time. The former is related with the dynamical tidal contribution to the total perturbed potential in a binary star while the latter is connected with the external structure of the outer layers. (1 data file).

  11. Hydrodynamic models of a Cepheid atmosphere. III - Line spectrum and radius determinations

    Science.gov (United States)

    Karp, A. H.

    1975-01-01

    Line profiles are computed on the basis of the moving atmospheres from the hydrodynamic models investigated by Karp (1975). It is found that the velocity gradients in the atmosphere can be used to explain the apparent, slightly supersonic microturbulence. The total observed microturbulence is seen to be consistent with the linear sum of the classical microturbulence and that caused by the velocity gradients.

  12. PIO I-II tendencies case study. Part 1. Mathematical modeling

    Directory of Open Access Journals (Sweden)

    Adrian TOADER

    2010-03-01

    Full Text Available In the paper, a study is performed from the perspective of giving a method to reduce the conservatism of the well known PIO (Pilot-Induced Oscillation criteria in predicting the susceptibility of an aircraft to this very harmful phenomenon. There are three interacting components of a PIO – the pilot, the vehicle, and the trigger (in fact, the hazard. The study, conceived in two parts, aims to underline the importance of human pilot model involved in analysis. In this first part, it is shown, following classical sources, how the LQG theory of control and estimation is used to obtain a complex model of human pilot. The approach is based on the argument, experimentally proved, that the human behaves “optimally” in some sense, subject to his inherent psychophysical limitations. The validation of such model is accomplished based on the experimental model of a VTOL-type aircraft. Then, the procedure of inserting typical saturation nonlinearities in the open loop transfer function is presented. A second part of the paper will illustrate PIO tendencies evaluation by means of a grapho-analytic method.

  13. Photometry and models of selected main belt asteroids. III. 283 Emma, 665 Sabine, and 690 Wratislavia

    Science.gov (United States)

    Michałowski, T.; Kaasalainen, M.; Polińska, M.; Marciniak, A.; Kwiatkowski, T.; Kryszczyńska, A.; Velichko, F. P.

    2006-11-01

    Photometric observations of 283 Emma (1998, 2000, 2001, 2004), 665 Sabine (1998, 1999, 2001, 2004, 2005), and 690 Wratislavia (1998, 2000, 2004, 2005-2006) carried out on 44 nights at two observatories are presented. Using all available lightcurves, the spin vectors, senses of rotation, and shape models for these three asteroids have been determined.

  14. Modelling of intermediate-age stellar populations III Effects of dust-shells around AGB stars

    CERN Document Server

    Mouhcine, M

    2002-01-01

    In this paper,we present single stellar population models of intermediate age stellar populations where dust-enshrouded AGB stars are introduced. The formation of carbon stars is also accounted for, and is taken to be a function of both initial mass and metallicity. The effect of the dusty envelopes around AGB stars on the optical/near-infrared spectral energy distribution were introduced using semi-emipirical models where the mass-loss and the photospheric chemistry determine the spectral properties of a star along the AGB sequence. The spectral dichotomy between O-rich stars and C-rich stars is taken into account in the modelling. We have investigated the AGB sequence morphology in he near-infrared CMD as a function of time and metallicity. We show that this diaggram is characterized by three morphological features, occupied by optically bright O-rich stars, optically bright C-rich stars, and dust-enshrouded O-rich and C-rich stars respectively. Our models are able to reproduce the distribution of the three...

  15. Modeling optical and UV polarization of AGNs. III. From uniform-density to clumpy regions

    Science.gov (United States)

    Marin, F.; Goosmann, R. W.; Gaskell, C. M.

    2015-05-01

    Context. A growing body of evidence suggests that some, if not all, scattering regions of active galactic nuclei (AGNs) are clumpy. The inner AGN components cannot be spatially resolved with current instruments and must be studied by numerical simulations of observed spectroscopy and polarization data. Aims: We run radiative transfer models in the optical/UV for a variety of AGN reprocessing regions with different distributions of clumpy scattering media. We obtain geometry-sensitive polarization spectra and images to improve our previous AGN models and their comparison with the observations. Methods: We use the latest public version 1.2 of the Monte Carlo code stokes presented in the first two papers of this series to model AGN reprocessing regions of increasing morphological complexity. We replace previously uniform-density media with up to thousands of constant-density clumps. We couple a continuum source to fragmented equatorial scattering regions, polar outflows, and toroidal obscuring dust regions and investigate a wide range of geometries. We also consider different levels of fragmentation in each scattering region to evaluate the importance of fragmentation for the net polarization of the AGN. Results: In comparison with uniform-density models, equatorial distributions of gas and dust clouds result in grayer spectra and show a decrease in the net polarization percentage at all lines of sight. The resulting polarization position angle depends on the morphology of the clumpy structure, with extended tori favoring parallel polarization while compact tori produce orthogonal polarization position angles. In the case of polar scattering regions, fragmentation increases the net polarization unless the cloud filling factor is small. A complete AGN model constructed from the individual, fragmented regions can produce low polarization percentages (<2%), with a parallel polarization angle for observer inclinations up to 70° for a torus half opening angle of 60°. For

  16. Goethite surface reactivity: III. Unifying arsenate adsorption behavior through a variable crystal face - Site density model

    Science.gov (United States)

    Salazar-Camacho, Carlos; Villalobos, Mario

    2010-04-01

    We developed a model that describes quantitatively the arsenate adsorption behavior for any goethite preparation as a function of pH and ionic strength, by using one basic surface arsenate stoichiometry, with two affinity constants. The model combines a face distribution-crystallographic site density model for goethite with tenets of the Triple Layer and CD-MUSIC surface complexation models, and is self-consistent with its adsorption behavior towards protons, electrolytes, and other ions investigated previously. Five different systems of published arsenate adsorption data were used to calibrate the model spanning a wide range of chemical conditions, which included adsorption isotherms at different pH values, and adsorption pH-edges at different As(V) loadings, both at different ionic strengths and background electrolytes. Four additional goethite-arsenate systems reported with limited characterization and adsorption data were accurately described by the model developed. The adsorption reaction proposed is: lbond2 FeOH +lbond2 SOH +AsO43-+H→lbond2 FeOAsO3[2-]…SOH+HO where lbond2 SOH is an adjacent surface site to lbond2 FeOH; with log K = 21.6 ± 0.7 when lbond2 SOH is another lbond2 FeOH, and log K = 18.75 ± 0.9, when lbond2 SOH is lbond2 Fe 2OH. An additional small contribution of a protonated complex was required to describe data at low pH and very high arsenate loadings. The model considered goethites above 80 m 2/g as ideally composed of 70% face (1 0 1) and 30% face (0 0 1), resulting in a site density for lbond2 FeOH and for lbond2 Fe 3OH of 3.125/nm 2 each. Below 80 m 2/g surface capacity increases progressively with decreasing area, which was modeled by considering a progressively increasing proportion of faces (0 1 0)/(1 0 1), because face (0 1 0) shows a much higher site density of lbond2 FeOH groups. Computation of the specific proportion of faces, and thus of the site densities for the three types of crystallographic surface groups present in

  17. Deep in situ dry-etch monitoring of III-V multilayer structures using laser reflectometry and reflectivity modeling

    CERN Document Server

    Moussa, H; Meriadec, C; Manin, L; Sagnes, I; Raj, R

    2002-01-01

    Deep reactive ion etching of III-V multilayer structures is an important issue for long wavelength vertical cavity surface emitting laser (VCSELs) where full laser structures are usually very thick. Test etchings were performed on GaAs/Al sub x Ga sub 1 sub - sub x As Bragg mirror structures and monitored using laser reflectometry at 651.4 nm. In order to perform very deep etching, up to 9 mu m, we designed and fabricated a special two-level mask made up of a thick nitride layer and a thin nickel layer. The etching rate is a complex function of many parameters and may change from run to run for similar structures. Therefore, it is important to have a method to control accurately the process in situ by continuously matching, experimental curves with the results of the reflectivity modeling. Here, we present a model, based on the Abeles matrix method, of the normal incidence reflectivity of a multilayer stack as a function of etch depth. Comparison between the model and the observed reflectivity variation durin...

  18. Winds in collision. III - Modeling the interaction nebulae of eruptive symbiotics

    Science.gov (United States)

    Girard, T.; Willson, L. A.

    1987-09-01

    Observations of HM Sge and V1016 Cyg have been interpreted (Wallerstein et al., 1984; Wilson et al., 1984) in terms of two colliding stellar winds in an interacting binary. Here, a simplified model for the structure of the nebula which forms at the interface of the colliding winds is developed, based on momentum conservation. From this model, the geometry, mass distribution, and velocity distribution of the nebula can be found as a function of the parameters of the colliding stellar winds which sustain it. Under the assumption of negligible orbital motion, the nebular shell reaches a steady-state configuration. Its shape is roughly conical, with the cone apex angle determined by a single parameter. The time development of a cross-section of the nebula which forms in a system with nonnegligible orbital motion is also calculated, under the assumption that the nebular shell is thin relative to its overall dimensions.

  19. Perbedaan kekuatan kompresi gips Tipe iii pabrikan dan daur ulang Untuk pembuatan model kerja

    OpenAIRE

    Wijaya, Cindy Denhara

    2014-01-01

    Gipsum merupakan mineral yang ditambang dari berbagai belahan dunia dan sudah digunakan di bidang kedokteran gigi sejak tahun 1756. Gipsum yang digunakan dalam kedokteran gigi berasal dari kalsium sulfat dihidrat murni (CaSO4 .2H2O) yang dipanaskan sehingga terbentuk kalsium sulfat hemihidrat (CaSO4 .½H2O). Dalam kedokteran gigi, produk gipsum biasa disebut gips dan banyak digunakan untuk membuat model duplikat dari rongga mulut serta struktur jaringan sekitarnya dan s...

  20. Synthesis, characterisation and modelling of a ferromagnetically coupled chromium(III) Dimer

    DEFF Research Database (Denmark)

    Morsing, Thorbjørn Juul; Weihe, Høgni; Bendix, Jesper

    2014-01-01

    tetraphenylphosphonium salt, (Ph4P)4[(SCN)4Cr(OH)2Cr(NCS)4]·2CH3CN (1). From magnetometry the coupling constant, J, was determined to be -5.17 cm-1 (in an H = JSA·SB scheme). The X-band EPR spectra were measured in the temperature range 2-305 K and the data were modelled. The spectra, which are very rich, are the first...

  1. Modeling interacting dynamic networks: III. Extraordinary properties in a population of extreme introverts and extroverts

    CERN Document Server

    Liu, Wenjia; Bassler, Kevin E; Schmittmann, Beate; Zia, Royce K P

    2014-01-01

    Recently, we introduced dynamic networks with preferred degrees, showing that interesting properties are present in a single, homogeneous system as well as one with two interacting networks. While simulations are readily performed, analytic studies are challenging, due mainly to the lack of detailed balance in the dynamics. Here, we consider the two-community case in a special limit: a system of extreme introverts and extroverts - the XIE model. Surprising phenomena appear, even in this minimal model, where the only control parameters are the numbers of each subgroup: $N_{I,E}$. Specifically, an extraordinary transition emerges when $N_I$ crosses $N_E$. For example, the fraction of total number of I-E links jumps from $\\thicksim 0$ to $\\thicksim 1$. In a $N_I=N_E$ system, this fraction performs a pure random walk so that its distribution displays a flat plateau across most of $[0,1]$, with the edges vanishing as $(N_{I,E})^{-0.38}$ for large systems. Thus, we believe the XIE model exhibits an extreme Thouless...

  2. A new model to predict weak-lensing peak counts III. Filtering technique comparisons

    CERN Document Server

    Lin, Chieh-An; Pires, Sandrine

    2016-01-01

    This is the third in a series of papers that develop a new and flexible model to predict weak-lensing (WL) peak counts, which have been shown to be a very valuable non-Gaussian probe of cosmology. In this paper, we compare the cosmological information extracted from WL peak counts using different filtering techniques of the galaxy shear data, including linear filtering with a Gaussian and two compensated filters (the starlet wavelet and the aperture mass), and the nonlinear filtering method MRLens. We present improvements to our model that account for realistic survey conditions, which are masks, shear-to-convergence transformations, and non-constant noise. We create simulated peak counts from our stochastic model, from which we obtain constraints on the matter density $\\Omega_\\mathrm{m}$, the power spectrum normalization $\\sigma_8$, and the dark-energy parameter $w_0^\\mathrm{de}$. We use two methods for parameter inference, a copula likelihood, and approximate Bayesian computation (ABC). We measure the conto...

  3. Dual luminophor pressure-sensitive paint: III. Application to automotive model testing

    Science.gov (United States)

    Gouterman, Martin; Callis, James; Dalton, Larry; Khalil, Gamal; Mébarki, Youssef; Cooper, Kevin R.; Grenier, Michel

    2004-10-01

    Porphyrins play key roles in natural energy conversion systems, including photosynthesis and oxygen transport. Because of their chemical stability, unique optical properties and synthetic versatility, porphyrins are well suited as chemical sensors. One successful application is the use of platinum porphyrin (PtP) in pressure-sensitive paint (PSP). Oxygen in the film quenches luminescence, and oxygen pressure was initially monitored by measuring the ratio of I(wind-off)/I(wind-on). But this ratio is compromised if there is model motion and if the paint layer is inhomogeneous. Furthermore it requires careful monitoring and placement of light sources. Moreover, this method is seriously affected by temperature. The errors caused by model motion and temperature sensitivity are eliminated or greatly reduced using dual luminophor paint. This paper illustrates a successful application of a dual luminophor PSP in auto model testing. The PSP is made from an oxygen sensitive luminophor, Pt tetra(pentafluorophenyl)-porpholactone, which provides Isen, and Mg tetra(pentafluorophenyl)porphine, which provides temperature-sensitive paint (TSP) as the pressure-independent reference. The ratio PSP/TSP in the FIB polymer produced ideal PSP measurements with a very low-temperature dependence of -0.1% °C-1.

  4. DFT modeling and spectroscopic study of metal-ligand bonding in La(III) complex of coumarin-3-carboxylic acid

    Energy Technology Data Exchange (ETDEWEB)

    Mihaylov, Tz. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Trendafilova, N. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria)], E-mail: ntrend@svr.igic.bas.bg; Kostova, I. [Department of Chemistry, Faculty of Pharmacy, Medical University, Sofia 1000 (Bulgaria); Georgieva, I. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia (Bulgaria); Bauer, G. [Institute of Chemical Technologies and Analytics, Technical University of Vienna, Vienna A-1060 (Austria)

    2006-09-11

    The binding mode of coumarin-3-carboxylic acid (HCCA) to La(III) is elucidated at experimental and theoretical level. The complexation ability of the deprotonated ligand (CCA{sup -}) to La(III) is studied using elemental analysis, DTA and TGA data as well as FTIR, {sup 1}H NMR and {sup 13}C NMR spectra. The experimental data suggest the complex formula La(CCA){sub 2}(NO{sub 3})(H{sub 2}O){sub 2}. B3LYP, BHLYP, B3P86, B3PW91, PW91P86 and MPW1PW91 functionals are tested for geometry and frequency calculations of the neutral ligand and all of them show bond length deviations bellow 1%. B3LYP/6-31G(d) level combined with large quasi-relativistic effective core potential for lanthanum is selected to describe the molecular, electronic and vibrational structures as well as the conformational behavior of HCCA, CCA{sup -} and La-CCA complex. The metal-ligand binding mode is predicted through molecular modeling and energy estimation of different La-CCA structures. The calculated atomic charges and the bonding orbital polarizations point to strong ionic metal-ligand bonding in La-CCA complex and insignificant donor acceptor interaction. Detailed vibrational analysis of HCCA, CCA{sup -} and La(CCA){sub 2}(NO{sub 3})(H{sub 2}O){sub 2} systems based on both calculated and experimental frequencies confirms the suggested metal-ligand binding mode.

  5. Modeling Contamination Migration on the Chandra X-Ray Observatory - III

    Science.gov (United States)

    O'Dell, Stephen L.; Swartz, Douglas A.; Tice, Neil W.; Plucinsky, Paul P.; Grant, Catherine E.; Marshall, Herman L.; Vikhlinin, Alexy A.; Tennant, Allyn F.; Dahmer, Matthew T.

    2015-01-01

    During its first 16 years of operation, the cold (about -60 C) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X-ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low-energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition have changed. This evolution has motivated further analysis of contamination migration within and near the ACIS cavity, in part to evaluate potential bake-out scenarios intended to reduce the level of contamination. Keywords: X-ray astronomy, CCDs, contamination, modeling and simulation, spacecraft operations

  6. Lightest Higgs boson production at photon colliders in the two Higgs doublet model type III

    CERN Document Server

    Martínez, R; Rodríguez, José Alberto; 10.1103/PhysRevD.72.035017

    2005-01-01

    The branching ratios of the lightest CP-even Higgs boson h/sup 0/ are calculated in the framework of the general two higgs doublet model. Different scenarios are presented taking into account constraints on the flavor changing neutral currents factors obtained in previous works. Plausible scenarios where appear flavor changing processes at tree level like bs and tc are analyzed for relevant parameters. The loop-induced Higgs couplings to photon pairs can be tested with a photon collider. The number of events of h/sup 0/ as a resonance in photon colliders are calculated taking into account its corresponding background signal at TESLA, CLIC, and NLC.

  7. Modeling Three-Terminal III-V/Si Tandem Solar Cells: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Warren, Emily L.; Deceglie, Michael G.; Stradins, Paul; Tamboli, Adele C.

    2017-06-27

    Three-terminal (3T) tandem cells fabricated by combining an interdigitated back contact (IBC) Si device with a wider bandgap top cell have the potential to provide a robust operating mechanism to efficiently capture the solar spectrum without the need to current match sub-cells or fabricate complicated metal interconnects between cells. Here we develop a two dimensional device physics model to study the behavior of IBC Si solar cells operated in a 3T configuration. We investigate how different cell designs impact device performance and discuss the analysis protocol used to understand and optimize power produced from a single junction, 3T device.

  8. Passivity of Metals in the Point Defect Model: Effect of Chloride [Part-III

    OpenAIRE

    Emmanuel, Bosco

    2012-01-01

    In this paper we study the effect of addition of chloride on the stability of the compact oxide layer pre-existing on a metal surface at a given impressed potential and . The variant of the point defect model (PDM)advanced by us recently is used to construct a theory for the chloride-induced build-up of metal vacancies at the metal-film interface and the chloride-induced dissolution of the compact oxide layer. Under the quasi-steady-state approximation the relevant moving boundary value probl...

  9. Modeling the near-UV band of GK stars, Paper III: Dependence on abundance pattern

    CERN Document Server

    Short, C Ian

    2013-01-01

    We extend the grid of NLTE models presented in Paper II to explore variations in abundance pattern in two ways: 1) The adoption of the Asplund et al. (2009) (GASS10) abundances, 2) For stars of metallicity, [M/H], of -0.5, the adoption of a non-solar enhancement of alpha-elements by +0.3 dex. Moreover, our grid of synthetic spectral energy distributions (SEDs) is interpolated to a finer numerical resolution in both T_eff (Delta T_eff = 25 K) and log g (Delta log g = 0.25). We compare the values of T_eff and log g inferred from fitting LTE and Non-LTE SEDs to observed SEDs throughout the entire visible band, and in an ad hoc "blue" band. We compare our spectrophotometrically derived T_eff values to a variety of T_eff calibrations, including more empirical ones, drawn from the literature. For stars of solar metallicity, we find that the adoption of the GASS10 abundances lowers the inferred T_eff value by 25 - 50 K for late-type giants, and NLTE models computed with the GASS10 abundances give T_eff results that ...

  10. Thermal evolution and sintering of chondritic planetesimals III. Modelling the heat conductivity of porous chondrite material

    CERN Document Server

    Henke, Stephan; Trieloff, Mario

    2016-01-01

    The construction of models for the internal constitution and the temporal evolution of large planetesimals, the parent bodies of chondrites, requires information on the heat conductivity of the complex mixture of minerals and iron metal found in chondrites. It is attempted to evaluate the heat conductivity of a multi-component mineral mixture and granular medium from the heat conductivities of its mixture components. Random mixtures of solids with chondritic composition and packings of spheres are numerically generated. The heat conduction equation is solved in high spatial resolution for a test cube filled with such matter. From the heat flux through the cube the heat conductivity of the mixture is derived. The model results for porous material are consistent with data for compacted sandstone, but are at odds with measurements for H and L chondrites. The discrepancy is traced back to shock modification of the currently available meteoritic material by impacts on the parent body over the last 4.5 Ga. This cau...

  11. Testing intermediate-age stellar evolution models with VLT photometry of LMC clusters. III. Padova results

    CERN Document Server

    Bertelli, G; Girardi, L; Chiosi, C; Zoccali, M; Gallart, C

    2002-01-01

    The color-magnitude diagrams (CMDs) of three intermediate-age LMC clusters, NGC 2173, SL556 and NGC2155 are analyzed to determine their age and metallicity basing on Padova stellar models. Synthetic CMDs are compared with cluster data. The best match is obtained using two fitting functions based on star counts in the different bins of the cluster CMD. Two different criteria are used. One of them takes into account the uncertainties in the color of the red clump stars. Given the uncertainties on the experimental values of the clusters metallicity, we provide a set of acceptable solutions. They define the correspondent values of metallicity, age, reddening and distance modulus (for the assumed IMF). The comparison with Padova models suggests for NGC 2173 a prolonged star formation (spanning a period of about 0.3 Gyr), beginning 1.7 Gyr and ending 1.4 Gyr ago. The metallicity Z is in the range 0.0016 $-$ 0.003. Contrary to what suggested for NGC 2173 a period of extended star formation was not required to fit th...

  12. Richard III

    DEFF Research Database (Denmark)

    Lauridsen, Palle Schantz

    2017-01-01

    Kort analyse af Shakespeares Richard III med fokus på, hvordan denne skurk fremstilles, så tilskuere (og læsere) langt henad vejen kan føle sympati med ham. Med paralleller til Netflix-serien "House of Cards"......Kort analyse af Shakespeares Richard III med fokus på, hvordan denne skurk fremstilles, så tilskuere (og læsere) langt henad vejen kan føle sympati med ham. Med paralleller til Netflix-serien "House of Cards"...

  13. Two-loop renormalization in the standard model, part III. Renormalization equations and their solutions

    Energy Technology Data Exchange (ETDEWEB)

    Actis, S. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Passarino, G. [Torino Univ. (Italy). Dipt. di Fisica Teorica; INFN, Sezione di Torino (Italy)

    2006-12-15

    In part I and II of this series of papers all elements have been introduced to extend, to two loops, the set of renormalization procedures which are needed in describing the properties of a spontaneously broken gauge theory. In this paper, the final step is undertaken and finite renormalization is discussed. Two-loop renormalization equations are introduced and their solutions discussed within the context of the minimal standard model of fundamental interactions. These equations relate renormalized Lagrangian parameters (couplings and masses) to some input parameter set containing physical (pseudo-)observables. Complex poles for unstable gauge and Higgs bosons are used and a consistent setup is constructed for extending the predictivity of the theory from the Lep1 Z-boson scale (or the Lep2 WW scale) to regions of interest for LHC and ILC physics. (orig.)

  14. Nonclassical Riemann solvers and kinetic relations III: A nonconvex hyperbolic model for Van der Waals fluids

    Directory of Open Access Journals (Sweden)

    Philippe G. LeFloch

    2000-12-01

    Full Text Available This paper deals with the so-called p-system describing the dynamics of isothermal and compressible fluids. The constitutive equation is assumed to have the typical convexity/concavity properties of the van der Waals equation. We search for discontinuous solutions constrained by the associated mathematical entropy inequality. First, following a strategy proposed by Abeyaratne and Knowles and by Hayes and LeFloch, we describe here the whole family of nonclassical Riemann solutions for this model. Second, we supplement the set of equations with a kinetic relation for the propagation of nonclassical undercompressive shocks, and we arrive at a uniquely defined solution of the Riemann problem. We also prove that the solutions depend $L^1$-continuously upon their data. The main novelty of the present paper is the presence of two inflection points in the constitutive equation. The Riemann solver constructed here is relevant for fluids in which viscosity and capillarity effects are kept in balance.

  15. Models for Quarks and Elementary Particles --- Part III: What is the Nature of the Gravitational Field?

    Directory of Open Access Journals (Sweden)

    Ulrich K. W. Neumann

    2008-07-01

    Full Text Available The first two parts of this article series dealt with the questions: What is a quark? and What is mass? While the present models lead to a physical idea of the mass, the geometrical theory of the general relativity only shows the effect of mass. From the physical idea of mass, from the idea of the resultant vector (EV as electric flux and from the ideas relating to the magnetic monopole (MMP it follows that the gravitational field is an electrical field. The share of the electrical gravitational flux on the entire electrical flux of a quark is determined from Newton's empirical gravitational constant. The superposition of the fluxes of two quark collectives produces the gravitational force effect between two quark collectives. Gravitational fields reach infinitely far according to our current ideas. Connected with the quark oscillations hinted in the Parts I and II this results in the idea of the flux spreading with infinite speed, having enormous consequences.

  16. Chemical association in simple models of molecular and ionic fluids. III. The cavity function

    Science.gov (United States)

    Zhou, Yaoqi; Stell, George

    1992-01-01

    Exact equations which relate the cavity function to excess solvation free energies and equilibrium association constants are rederived by using a thermodynamic cycle. A zeroth-order approximation, derived previously by us as a simple interpolation scheme, is found to be very accurate if the associative bonding occurs on or near the surface of the repulsive core of the interaction potential. If the bonding radius is substantially less than the core radius, the approximation overestimates the association degree and the association constant. For binary association, the zeroth-order approximation is equivalent to the first-order thermodynamic perturbation theory (TPT) of Wertheim. For n-particle association, the combination of the zeroth-order approximation with a ``linear'' approximation (for n-particle distribution functions in terms of the two-particle function) yields the first-order TPT result. Using our exact equations to go beyond TPT, near-exact analytic results for binary hard-sphere association are obtained. Solvent effects on binary hard-sphere association and ionic association are also investigated. A new rule which generalizes Le Chatelier's principle is used to describe the three distinct forms of behaviors involving solvent effects that we find. The replacement of the dielectric-continuum solvent model by a dipolar hard-sphere model leads to improved agreement with an experimental observation. Finally, equation of state for an n-particle flexible linear-chain fluid is derived on the basis of a one-parameter approximation that interpolates between the generalized Kirkwood superposition approximation and the linear approximation. A value of the parameter that appears to be near optimal in the context of this application is obtained from comparison with computer-simulation data.

  17. Measurement and thermal modeling of sapphire substrate temperature at III-Nitride MOVPE conditions

    Science.gov (United States)

    Creighton, J. Randall; Coltrin, Michael E.; Figiel, Jeffrey J.

    2017-04-01

    Growth rates and alloy composition of AlGaN grown by MOVPE is often very temperature dependent due to the presence of gas-phase parasitic chemical processes. These processes make wafer temperature measurement highly important, but in fact such measurements are very difficult because of substrate transparency in the near-IR ( 900 nm) where conventional pyrometers detect radiation. The transparency problem can be solved by using a mid-IR pyrometer operating at a wavelength ( 7500 nm) where sapphire is opaque. We employ a mid-IR pyrometer to measure the sapphire wafer temperature and simultaneously a near-IR pyrometer to measure wafer pocket temperature, while varying reactor pressure in both a N2 and H2 ambient. Near 1300 °C, as the reactor pressure is lowered from 300 Torr to 10 Torr the wafer temperature drops dramatically, and the ∆T between the pocket and wafer increases from 20 °C to 250 °C. Without the mid-IR pyrometer the large wafer temperature change with pressure would not have been noted. In order to explain this behavior we have developed a quasi-2D thermal model that includes a proper accounting of the pressure-dependent thermal contact resistance, and also accounts for sapphire optical transmission. The model and experimental results demonstrate that at most growth conditions the majority of the heat is transported from the wafer pocket to the wafer via gas conduction, in the free molecular flow limit. In this limit gas conductivity is independent of gap size but first order in pressure, and can quantitatively explain results from 20 to 300 Torr. Further analysis yields a measure of the thermal accommodation coefficients; α(H2) =0.23, α(N2) =0.50, which are in the range typically measured.

  18. Phyllotaxis or the properties of spiral lattices. III. An algebraic model of morphogenesis

    Science.gov (United States)

    Kunz, M.; Rothen, F.

    1992-11-01

    A phyllotactical pattern such as the arrangement of the scales of a fir-cone originates along a thin ring surrounding a local center of growth. We study a simple model of the morphogenesis of such a botanical structure by considering algebraic relations between permutations of the n first natural numbers, each number corresponding to the birth order of a given scale or leaf. This model allows to define a divergence angle in a natural way. The possible values of the divergence can be classified according to a hierarchical structure which places the noble numbers in a prominent position. This construction is similar to the Farey-tree obtained in the study of lattices of tangent circles aligned along equiangular spirals. Une structure phyllotactique comme celles que constituent les écailles d'une pomme de pin prend naissance sur un étroit anneau apical qui entoure un centre local de croissance. On étudie un modèle simple de la morphogenèse d'une telle formation en établissant des relations algébriques entre permutations des n premiers nombres naturels, chaque nombre correspondant à l'ordre d'apparition d'une écaille ou d'une feuille. Ce modèle conduit à la définition naturelle d'une divergence. Les valeurs que peut prendre cette divergence s'ordonnent en une structure hiérarchique qui met en évidence le rôle des nombres nobles. Il y a parenté évidente avec l'arbre de Farey que l'on obtient en classant les réseaux de cercles tangents alignés le long de spirales équiangulaires.

  19. Modeling the Effects of Ecosystem Fragmentation and Restoration: Management Models for Mobile Animals. Volume 1. Appendices I-II

    Science.gov (United States)

    2007-11-02

    mesquite in mesquite (no edge effect ) How to Run the Model Open an existing or new ArcView GIS project. Open a View, and if not already present, add...values, which in the same example would be 0.7 and 25, respectively. To model no edge effect (the null model) for any one edge type, enter a value of...units for dmax are the same as the map units of the habitat spatial data. For edge types in which no edge effect will be modeled, enter a “basal

  20. The structure of radiative shock waves. III. The model grid for partially ionized hydrogen gas

    CERN Document Server

    Fadeyev, Y A; Fadeyev, Yu. A.

    2001-01-01

    The grid of the models of radiative shock waves propagating through partially ionized hydrogen gas with temperature 3000K <= T_1 <= 8000K and density 10^{-12} gm/cm^3 <= \\rho_1 <= 10^{-9}gm/cm^3 is computed for shock velocities 20 km/s <= U_1 <= 90 km/s. The fraction of the total energy of the shock wave irreversibly lost due to radiation flux ranges from 0.3 to 0.8 for 20 km/s <= U_1 <= 70 km/s. The postshock gas is compressed mostly due to radiative cooling in the hydrogen recombination zone and final compression ratios are within 1 <\\rho_N/\\rho_1 \\lesssim 10^2, depending mostly on the shock velocity U_1. The preshock gas temperature affects the shock wave structure due to the equilibrium ionization of the unperturbed hydrogen gas, since the rates of postshock relaxation processes are very sensitive to the number density of hydrogen ions ahead the discontinuous jump. Both the increase of the preshock gas temperature and the decrease of the preshock gas density lead to lower postsh...

  1. Circuit modeling of the electrical impedance: part III. Disuse following bone fracture.

    Science.gov (United States)

    Shiffman, C A

    2013-05-01

    Multifrequency measurements of the electrical impedance of muscle have been extended to the study of disuse following bone fracture, and analyzed using the five-element circuit model used earlier in the study of the effects of disease. Eighteen subjects recovering from simple fractures on upper or lower limbs were examined (ten males, eight females, aged 18-66). Muscles on uninjured contralateral limbs were used as comparison standards, and results are presented in terms of the ratios p(injured)/p(uninjured), where p stands for the circuit parameter r1, r2, r3, 1/c1 or 1/c2. These are strikingly similar to the diseased-to-healthy ratios for patients with neuromuscular disease, reported in part I of this series. In particular, r1 is virtually unaffected and the ratios for r2, r3, 1/c1 and 1/c2 can be as large as in serious disease. Furthermore, the same pattern of relationships between the parameters is found, suggesting that there is a common underlying mechanism for the impedance changes. Atrophy and fibrosis are examined as candidates for that mechanism, but it is argued that their effects are too small to explain the observed changes. Fundamental considerations aside, the sensitivity, reproducibility and technical simplicity of the technique recommend its use for in-flight assessments of muscles during orbital or interplanetary missions.

  2. Models for Quarks and Elementary Particles. Part III: What is the Nature of the Gravitational Field?

    Directory of Open Access Journals (Sweden)

    Neumann U. K. W.

    2008-07-01

    Full Text Available The first two parts of this article series dealt with the questions: What is a quark? and What is mass? While the present models lead to a physical idea of the mass, the geometrical theory of the general relativity only shows the effect of mass. From the physical idea of mass, from the idea of the resultant vector (EV as electric flux and from the ideas relating to the magnetic monopole (MMP it follows that the gravitational field is an electrical field. The share of the electrical gravitational flux on the entire electrical flux of a quark is determined from Newton’s empirical gravitational constant G . The superposition of the < fluxes of two quark collectives produces the gravitational force effect between two quark collectives. Gravitational fields reach infinitely far according to our current ideas. Connected with the quark oscillations hinted in the Parts I and II this results in the idea of the < - < flux spreading with infinite speed, having enormous consequences.

  3. Dynamics of the solar tachocline III: Numerical solutions of the Gough and McIntyre model

    CERN Document Server

    Acevedo-Arreguin, Luis A; Wood, Toby S

    2013-01-01

    We present the first numerical simulations of the solar interior to exhibit a tachocline consistent with the Gough and McIntyre (1998) model. We find nonlinear, axisymmetric, steady-state numerical solutions in which: (1) a large-scale primordial field is confined within the radiation zone by downwelling meridional flows that are gyroscopically pumped in the convection zone (2) the radiation zone is in almost-uniform rotation, with a rotation rate consistent with observations (3) the bulk of the tachocline is magnetic free, in thermal-wind balance and in thermal equilibrium and (4) the interaction between the field and the flows takes place within a very thin magnetic boundary layer, the tachopause, located at the bottom of the tachocline. We show that the thickness of the tachocline scales with the amplitude of the meridional flows exactly as predicted by Gough and McIntyre. We also determine the parameter conditions under which such solutions can be obtained, and provide a simple explanation for the failure...

  4. Determination of Uncertainties for +III and +IV Actinide Solubilities in the WIPP Geochemistry Model for the 2009 Compliance Recertification Application

    Science.gov (United States)

    Ismail, A. E.; Xiong, Y.; Nowak, E. J.; Brush, L. H.

    2009-12-01

    The Waste Isolation Pilot Plant (WIPP) is a U.S. Department of Energy (DOE) repository in southeast New Mexico for defense-related transuranic (TRU) waste. Every five years, the DOE is required to submit an application to the Environmental Protection Agency (EPA) demonstrating the WIPP’s continuing compliance with the applicable EPA regulations governing the repository. Part of this recertification effort involves a performance assessment—a probabilistic evaluation of the repository performance with respect to regulatory limits on the amount of releases from the repository to the accessible environment. One of the models used as part of the performance assessment process is a geochemistry model, which predicts solubilities of the radionuclides in the brines that may enter the repository in the different scenarios considered by the performance assessment. The dissolved actinide source term comprises actinide solubilities, which are input parameters for modeling the transport of radionuclides as a result of brine flow through and from the repository. During a performance assessment, the solubilities are modeled as the product of a “base” solubility determined from calculations based on the chemical conditions expected in the repository, and an uncertainty factor that describes the potential deviations of the model from expected behavior. We will focus here on a discussion of the uncertainties. To compute a cumulative distribution function (CDF) for the uncertainties, we compare published, experimentally measured solubility data to predictions made using the established WIPP geochemistry model. The differences between the solubilities observed for a given experiment and the calculated solubilities from the model are used to form the overall CDF, which is then sampled as part of the performance assessment. We will discuss the methodology used to update the CDF’s for the +III actinides, obtained from data for Nd, Am, and Cm, and the +IV actinides, obtained

  5. Photochemistry of iron(III)-carboxylato complexes in aqueous atmospheric particles - Laboratory experiments and modeling studies

    Science.gov (United States)

    Weller, C.; Tilgner, A.; Herrmann, H.

    2010-12-01

    , glutarate and gluconate complexes lie in the range of 0.02 < Φ < 0.10, whereas succinate, tartronate, pyruvate and glyoxalate systems have values between 0.16 < Φ < 1.26. All quantum yields include contributions from secondary thermal reactions. Furthermore, an attempt was made to differentiate between contributions of individual iron-oxalato complexes to the overall measured quantum yield. The formation and photolysis of the iron-carboxylate complexes and the subsequent reactions of the resulting compounds have been implemented in CAPRAM 3.0 (Chemical Aqueous Phase Radical Mechanism). Modeling studies were performed to investigate the effects of the expanded iron photochemistry on oxidant budgets, the iron redox-cycling and the processing of secondary organic acids in cloud droplets and deliquescent particles under different environmental conditions. The model studies have shown that, i.e. for pyruvic acid under urban conditions, the photolysis of the iron-pyruvate complex can contribute with about 40 % significantly to the overall degradation flux and represents thus an important loss pathway beside the radical oxidation pathways.

  6. MICRO-VERS. Micro-computer Software for the Vocational Education Reporting System. Version 3.1. Radio Shack TRS-80 Model III.

    Science.gov (United States)

    Illinois State Board of Education, Springfield. Dept. of Adult, Vocational and Technical Education.

    This manual is intended to accompany a software system for the TRS-80 Model III computer that is designed to aid local districts in completing vocational education enrollment claims and Vocational Education Data System (VEDS) reports. Part I, Introduction, gives a brief overview of the Microcomputer Vocational Education Reporting System…

  7. DECOVALEX - Mathematical models of coupled T-H-M processes for nuclear waste repositories. Executive summary for Phases I,II and III

    Energy Technology Data Exchange (ETDEWEB)

    Jing, L.; Stephansson, O. [Royal Inst. of Tech., Stockholm (Sweden); Tsang, C.F. [Lawrence Berkeley Lab., CA (United States); Kautsky, F. [Swedish Nuclear Power Inspectorate, Stockholm (Sweden)

    1996-06-01

    This executive summary presents the motivation, structure, objectives, methodologies and results of the first stage of the international DECOVALEX project - DECOVALEX I (1992-1995). The acronym stands for Development of Coupled Models and their Validation against Experiment in Nuclear Waste Isolation, and the project is an international effort to develop mathematical models, numerical methods and computer codes for coupled thermo-hydro-mechanical processes in fractured rocks and buffer materials for geological isolation of spent nuclear fuel and other radioactive wastes, and validate them against laboratory and field experiments. 24 refs.

  8. Off-diagonal terms in Yukawa textures of the Type-III 2-Higgs doublet model and light charged Higgs boson phenomenology

    CERN Document Server

    Hernández-Sánchez, J; Noriega-Papaqui, R; Rosado, A

    2013-01-01

    We discuss flavor-violating constraints and consequently possible charged Higgs boson phenomenology emerging from a four-zero Yukawa texture embedded within the Type-III 2-Higgs Doublet Model (2HDM-III). Firstly, we show in detail how we can obtain several kinds of 2HDMs when some parameters in the Yukawa texture are absent. Secondly, we present a comprehensive study of the main $B$-physics constraints on such parameters induced by flavor-changing processes, in particular on the off-diagonal terms of such a texture: i.e., from $\\mu -e$ universality in $\\tau$ decays, several leptonic B-decays ($B \\to \\tau \

  9. 4-Nitrocatecholato iron(III) complexes of 2-aminomethyl pyridine-based bis(phenol) amine as structural models for catechol-bound 3,4-PCD

    Science.gov (United States)

    Safaei, Elham; Heidari, Sima; Wojtczak, Andrzej; Cotič, Patricia; Kozakiewicz, Anna

    2016-02-01

    Two nitrocatecholato(HNC) iron(III) complexes, [FeLAMPX(H-NC)]. NEt3, of the tetradendate ligand (2-aminomethylpyridine)bis(2-pyridylmethyl)amine (H2LAMPX) were synthesized and structurally characterized. These structural models for catechol-bound 3,4-PCD were characterized by IR, UV-vis, elemental analysis and magnetic measurements. X-ray crystallography studies revealed that in both complexes the iron(III) centers are distorted octahedral and coordinated by two phenolate oxygen's, two amine nitrogen's of the ligand and mono anionic nitrocatecholate group (HNC). The variable-temperature magnetic susceptibility studies revealed paramagnetic properties of the reported complexes. The effective magnetic moments for the complexes lie between 5.3 and 5.4 BM correspond to the reported values for high spin Fe(III) center. The ligand-centered oxidation and metal-centered reduction of complexes was studies using cyclic voltammetry (CV) technique.

  10. Differentiation of Col I and Col III isoforms in stromal models of ovarian cancer by analysis of second harmonic generation polarization and emission directionality.

    Science.gov (United States)

    Tilbury, Karissa; Lien, Chi-Hsiang; Chen, Shean-Jen; Campagnola, Paul J

    2014-01-21

    A profound remodeling of the extracellular matrix occurs in many epithelial cancers. In ovarian cancer, the minor collagen isoform of Col III becomes upregulated in invasive disease. Here we use second harmonic generation (SHG) imaging microscopy to probe structural differences in fibrillar models of the ovarian stroma comprised of mixtures of Col I and III. The SHG intensity and forward-backward ratios decrease with increasing Col III content, consistent with decreased phasematching due to more randomized structures. We further probe the net collagen α-helix pitch angle within the gel mixtures using what is believed to be a new pixel-based polarization-resolved approach that combines and extends previous analyses. The extracted pitch angles are consistent with those of peptide models and the method has sufficient sensitivity to differentiate Col I from the Col I/Col III mixtures. We further developed the pixel-based approach to extract the SHG signal polarization anisotropy from the same polarization-resolved image matrix. Using this approach, we found that increased Col III results in decreased alignment of the dipole moments within the focal volume. Collectively, the SHG measurements and analysis all indicate that incorporation of Col III results in decreased organization across several levels of collagen organization. Furthermore, the findings suggest that the collagen isoforms comingle within the same fibrils, in good agreement with ultrastructural data. The pixel-based polarization analyses (both excitation and emission) afford determination of structural properties without the previous requirement of having well-aligned fibers, and the approaches should be generally applicable in tissue.

  11. Liquid and Ice Cloud Microphysics in the CSU General Circulation Model. Part III: Sensitivity to Modeling Assumptions.

    Science.gov (United States)

    Fowler, Laura D.; Randall, David A.

    1996-03-01

    The inclusion of cloud microphysical processes in general circulation models makes it possible to study the multiple interactions among clouds, the hydrological cycle, and radiation. The gaps between the temporal and spatial scales at which such cloud microphysical processes work and those at which general circulation models presently function force climate modelers to crudely parameterize and simplify the various interactions among the different water species (namely, water vapor, cloud water, cloud ice, rain, and snow) and to use adjustable parameters to which large-scale models can be highly sensitive. Accordingly, the authors have investigated the sensitivity of the climate, simulated with the Colorado State University general circulation model, to various aspects of the parameterization of cloud microphysical processes and its interactions with the cumulus convection and radiative transfer parameterizations.The results of 120-day sensitivity experiments corresponding to perpetual January conditions have been compared with those of a control simulation in order to 1 ) determine the importance of advecting cloud water, cloud ice, rain, and snow at the temporal and spatial scale resolutions presently used in the model; 2) study the importance of the formation of extended stratiform anvils at the tops of cumulus towers, 3) analyze the role of mixed-phase clouds in determining the partitioning among cloud water, cloud ice, rain, and snow and, hence, their impacts on the simulated cloud optical properties; 4) evaluate the sensitivity of the atmospheric moisture budget and precipitation rates to a change in the fall velocities of rain and snow; 5) determine the model's sensitivity to the prescribed thresholds of autoconversion of cloud water to rain and cloud ice to snow; and 6) study the impact of the collection of supercooled cloud water by snow, as well as accounting for the cloud optical properties of snow.Results are presented in terms of 30-day mean differences

  12. A stochastic model for the synthesis and degradation of natural organic matter. Part III: Modeling Cu(II) complexation

    Energy Technology Data Exchange (ETDEWEB)

    Cabaniss, Stephen E. [Department of Chemistry, University of New Mexico, Albuquerque, NM 87131 (United States)], E-mail: cabaniss@unm.edu; Maurice, Patricia A. [Department of Geology and Civil Engineering, University of Notre Dame (United States); Madey, Greg [Department of Computer Science, University of Notre Dame (United States)

    2007-08-15

    An agent-based biogeochemical model has been developed which begins with biochemical precursor molecules and simulates the transformation and degradation of natural organic matter (NOM). This manuscript presents an empirical quantitative structure activity relationship (QSAR) which uses the numbers of ligand groups, charge density and heteroatom density of a molecule to estimate Cu-binding affinity (K{sub Cu}{sup '}) at pH 7.0 and ionic strength 0.10 for the molecules in this model. Calibration of this QSAR on a set of 41 model compounds gives a root mean square error of 0.88 log units and r{sup 2} 0.93. Two simulated NOM assemblages, one beginning with small molecules (tannins, terpenoids, flavonoids) and one with biopolymers (protein, lignin), give markedly different distributions of logK{sub Cu}{sup '}. However, calculations based on these logK{sub Cu}{sup '} distributions agree qualitatively with published experimental Cu(II) titration data from river and lake NOM samples.

  13. A Validated Prediction Model for Overall Survival From Stage III Non-Small Cell Lung Cancer: Toward Survival Prediction for Individual Patients

    Energy Technology Data Exchange (ETDEWEB)

    Oberije, Cary, E-mail: cary.oberije@maastro.nl [Radiation Oncology, Research Institute GROW of Oncology, Maastricht University Medical Center, Maastricht (Netherlands); De Ruysscher, Dirk [Radiation Oncology, Research Institute GROW of Oncology, Maastricht University Medical Center, Maastricht (Netherlands); Universitaire Ziekenhuizen Leuven, KU Leuven (Belgium); Houben, Ruud [Radiation Oncology, Research Institute GROW of Oncology, Maastricht University Medical Center, Maastricht (Netherlands); Heuvel, Michel van de; Uyterlinde, Wilma [Department of Thoracic Oncology, Netherlands Cancer Institute, Amsterdam (Netherlands); Deasy, Joseph O. [Memorial Sloan Kettering Cancer Center, New York (United States); Belderbos, Jose [Department of Radiation Oncology, Netherlands Cancer Institute, Amsterdam (Netherlands); Dingemans, Anne-Marie C. [Department of Pulmonology, University Hospital Maastricht, Research Institute GROW of Oncology, Maastricht (Netherlands); Rimner, Andreas; Din, Shaun [Memorial Sloan Kettering Cancer Center, New York (United States); Lambin, Philippe [Radiation Oncology, Research Institute GROW of Oncology, Maastricht University Medical Center, Maastricht (Netherlands)

    2015-07-15

    Purpose: Although patients with stage III non-small cell lung cancer (NSCLC) are homogeneous according to the TNM staging system, they form a heterogeneous group, which is reflected in the survival outcome. The increasing amount of information for an individual patient and the growing number of treatment options facilitate personalized treatment, but they also complicate treatment decision making. Decision support systems (DSS), which provide individualized prognostic information, can overcome this but are currently lacking. A DSS for stage III NSCLC requires the development and integration of multiple models. The current study takes the first step in this process by developing and validating a model that can provide physicians with a survival probability for an individual NSCLC patient. Methods and Materials: Data from 548 patients with stage III NSCLC were available to enable the development of a prediction model, using stratified Cox regression. Variables were selected by using a bootstrap procedure. Performance of the model was expressed as the c statistic, assessed internally and on 2 external data sets (n=174 and n=130). Results: The final multivariate model, stratified for treatment, consisted of age, gender, World Health Organization performance status, overall treatment time, equivalent radiation dose, number of positive lymph node stations, and gross tumor volume. The bootstrapped c statistic was 0.62. The model could identify risk groups in external data sets. Nomograms were constructed to predict an individual patient's survival probability ( (www.predictcancer.org)). The data set can be downloaded at (https://www.cancerdata.org/10.1016/j.ijrobp.2015.02.048). Conclusions: The prediction model for overall survival of patients with stage III NSCLC highlights the importance of combining patient, clinical, and treatment variables. Nomograms were developed and validated. This tool could be used as a first building block for a decision support system.

  14. Compensatory axon sprouting for very slow axonal die-back in a transgenic model of spinal muscular atrophy type III.

    Science.gov (United States)

    Udina, Esther; Putman, Charles T; Harris, Luke R; Tyreman, Neil; Cook, Victoria E; Gordon, Tessa

    2017-03-01

    Smn(+/-) transgenic mouse is a model of the mildest form of spinal muscular atrophy. Although there is a loss of spinal motoneurons in 11-month-old animals, muscular force is maintained. This maintained muscular force is mediated by reinnervation of the denervated fibres by surviving motoneurons. The spinal motoneurons in these animals do not show an increased susceptibility to death after nerve injury and they retain their regenerative capacity. We conclude that the hypothesized immaturity of the neuromuscular system in this model cannot explain the loss of motoneurons by systematic die-back. Spinal muscular atrophy (SMA) is a common autosomal recessive disorder in humans and is the leading genetic cause of infantile death. Patients lack the SMN1 gene with the severity of the disease depending on the number of copies of the highly homologous SMN2 gene. Although motoneuron death in the Smn(+/-) transgenic mouse model of the mildest form of SMA, SMA type III, has been reported, we have used retrograde tracing of sciatic and femoral motoneurons in the hindlimb with recording of muscle and motor unit isometric forces to count the number of motoneurons with intact neuromuscular connections. Thereby, we investigated whether incomplete maturation of the neuromuscular system induced by survival motoneuron protein (SMN) defects is responsible for die-back of axons relative to survival of motoneurons. First, a reduction of ∼30% of backlabelled motoneurons began relatively late, at 11 months of age, with a significant loss of 19% at 7 months. Motor axon die-back was affirmed by motor unit number estimation. Loss of functional motor units was fully compensated by axonal sprouting to retain normal contractile force in four hindlimb muscles (three fast-twitch and one slow-twitch) innervated by branches of the sciatic nerve. Second, our evaluation of whether axotomy of motoneurons in the adult Smn(+/-) transgenic mouse increases their susceptibility to cell death

  15. Efficient isolation of Pseudomonas aeruginosa type III secretion translocators and assembly of heteromeric transmembrane pores in model membranes.

    Science.gov (United States)

    Romano, Fabian B; Rossi, Kyle C; Savva, Christos G; Holzenburg, Andreas; Clerico, Eugenia M; Heuck, Alejandro P

    2011-08-23

    Translocation of bacterial toxins or effectors into host cells using the type III secretion (T3S) system is a conserved mechanism shared by many Gram-negative pathogens. Pseudomonas aeruginosa injects different proteins across the plasma membrane of target cells, altering the normal metabolism of the host. Protein translocation presumably occurs through a proteinaceous transmembrane pore formed by two T3S secreted protein translocators, PopB and PopD. Unfolded translocators are secreted through the T3S needle prior to insertion into the target membrane. Purified PopB and PopD form pores in model membranes. However, their tendency to form heterogeneous aggregates in solution had hampered the analysis of how these proteins undergo the transition from a denatured state to a membrane-inserted state. Translocators were purified as stable complexes with the cognate chaperone PcrH and isolated from the chaperone using 6 M urea. We report here the assembly of stable transmembrane pores by dilution of urea-denatured translocators in the presence of membranes. PopB and PopD spontaneously bound liposomes containing anionic phospholipids and cholesterol in a pH-dependent manner as observed by two independent assays, time-resolved Förster resonance energy transfer and sucrose-step gradient ultracentrifugation. Using Bodipy-labeled proteins, we found that PopB interacts with PopD on the membrane surface as determined by excitation energy migration and fluorescence quenching. Stable transmembrane pores are more efficiently assembled at pH <5.0, suggesting that acidic residues might be involved in the initial membrane binding and/or insertion. Altogether, the experimental setup described here represents an efficient method for the reconstitution and analysis of membrane-inserted translocators.

  16. Revisiting dosing regimen using PK/PD modeling: the MODEL1 phase I/II trial of docetaxel plus epirubicin in metastatic breast cancer patients.

    Science.gov (United States)

    Hénin, Emilie; Meille, Christophe; Barbolosi, Dominique; You, Benoit; Guitton, Jérôme; Iliadis, Athanassios; Freyer, Gilles

    2016-04-01

    The MODEL1 trial is the first model-driven phase I/II dose-escalation study of densified docetaxel plus epirubicin administration in metastatic breast cancer patients, a regimen previously known to induce unacceptable life-threatening toxicities. The primary objective was to determine the maximum tolerated dose of this densified regimen. Study of the efficacy was a secondary objective. Her2-negative, hormone-resistant metastatic breast cancer patients were treated with escalating doses of docetaxel plus epirubicin every 2 weeks for six cycles with granulocyte colony stimulating factor support. A total of 16 patients were treated with total doses ranging from 85 to 110 mg of docetaxel plus epirubicin per cycle. Dose escalation was controlled by a non-hematological toxicity model. Dose densification was guided by a model of neutrophil kinetics, able to optimize docetaxel plus epirubicin dosing with respect to pre-defined acceptable levels of hematological toxicity while ensuring maximal efficacy. The densified treatment was safe since hematological toxicity was much lower compared to previous findings, and other adverse events were consistent with those observed with this regimen. The maximal tolerated dose was 100 mg given every 2 weeks. The response rate was 45 %; median progression-free survival was 10.4 months, whereas 54.6 months of median overall survival was achieved. The optimized docetaxel plus epirubicin dosing regimen led to fewer toxicities associated with higher efficacy as compared with standard or empirical densified dosing. This study suggests that model-driven dosage adjustment can lead to improved efficacy-toxicity balance in patients with cancer when several anticancer drugs are combined.

  17. Chromium (III) recovery from waste acid solution by ion exchange processing using Amberlite IR-120 resin: batch and continuous ion exchange modelling

    OpenAIRE

    Alguacil,Francisco José; Alonso Gámez, Manuel; Lozano, Kuis Javier

    2004-01-01

    The use of ion exchange technology was studied to remove chromium (III) from acidic waste solution by Amberlite IR-120 resin. Batch and column experimental tests were conducted to provide data for theoretical models and verify the system performance of the adsorption process. Results of batch equilibrium tests indicated that Langmuir isotherm describes well the adsorption process, whereas experimental data also provide evidence that, under the present experimental conditions, chro...

  18. Tomo III

    OpenAIRE

    2015-01-01

    Memorias, histórico, físicas, crítico, apologéticas de la América Meridional con unas breves advertencias y noticias útiles, a los que de orden de Su Majestad, hubiesen de viajar y describir aquellas vastas regiones. Reino Animal. Tomo III. Por un anónimo americano en Cádiz por los años de 1757. Primera Parte Prólogo Artículo 1°De los cuadrúpedos útiles al hombre a varios usos y a su sustento. Vaca Caballos Carneros de la tierra, especie de camellos Vicuña Guanacos Puercos monteses Artículo 2...

  19. 2-Mercaptobenzoxazole pentacyanoferrate(II/III complexes: UV-Visible, Mössbauer, electron paramagnetic resonance, electrochemistry and molecular modeling

    Directory of Open Access Journals (Sweden)

    Luiz Juciane B

    2004-01-01

    Full Text Available 2-Mercaptobenzoxazole pentacyanoferrate(II/III complexes, [FeII/III(CN5(bzoxs]3-/2- , were prepared in MeOH/H2O 75:25% solutions and characterized by spectroscopic UV-Vis, Mössbauer, electron paramagnetic resonance (epr and electrochemical-cyclic voltammetry- techniques. UV-Vis and epr spectra along with the electrochemical behavior suggested the coordination of the multi-functional N,S,O- donor ligand, bzoxs, to iron(III through the sulfur atom. The crystal field parameters, DqL and Dt, calculated for the iron(II complex, in addition to the reversible redox process FeIII-bzoxs + e- -> FeII-bzoxs also pointed to coordination via the sulfur atom. The results were compared with the chemical properties of pentacyanoferrate complexes containing other monodentate N-, S- and O-donor ligands. Ab initio calculations revealed the composition of the frontier orbitals of bzoxs and are in agreement with the mode of coordination proposed from the experimental data.

  20. Site-specific functionalization for chemical speciation of Cr(III) and Cr(VI) using polyaniline impregnated nanocellulose composite: equilibrium, kinetic, and thermodynamic modeling

    Science.gov (United States)

    Jain, Priyanka; Varshney, Shilpa; Srivastava, Shalini

    2017-07-01

    Site-specific functionalizations are the emergent attention for the enhancement of sorption latent of heavy metals. Limited chemistry has been applied for the fabrication of diafunctionalized materials having potential to tether both environmentally stable oxidation states of chromium (Cr(III) and Cr(VI). Polyaniline impregnated nanocellulose composite (PANI-NCC) has been fabricated using click chemistry and explored for the removal of Cr(III) and Cr(VI) from hydrological environment. The structure, stability, morphology, particle size, surface area, hydrophilicity, and porosity of fabricated PANI-NCC were characterized comprehensively using analytical techniques and mathematical tools. The maximum sorption performance of PANI-NCC was procured for (Cr(III): 47.06 mg g-1; 94.12 %) and (Cr(VI): 48.92 mg g-1; 97.84 %) by equilibrating 0.5 g sorbent dose with 1000 mL of 25 mg L-1 chromium conc. at pH 6.5 and 2.5 for Cr(III) and Cr(VI), respectively. The sorption data showed a best fit to the Langmuir isotherm and pseudo-second-order kinetic model. The negative value of ∆ G° (-8.59 and -11.16 kJ mol-1) and ∆ H° (66.46 × 10-1 and 17.84 × 10-1 kJ mol-1), and positive value of ∆ S° (26.66 and 31.46 J mol-1K-1) for Cr(III) and Cr(VI), respectively, reflect the spontaneous, feasibility, and exothermic nature of the sorption process. The application of fabricated PANI-NCC for removing both the forms of chromium in the presence of other heavy metals was also tested at laboratory and industrial waste water regime. These findings open up new avenues in the row of high performance, scalable, and economic nanobiomaterial for the remediation of both forms of chromium from water streams.

  1. Development and validation of a model TRIGA Mark III reactor with code MCNP5; Desarrollo y validacion de un modelo del reactor Triga Mark III con el codigo MCNP5

    Energy Technology Data Exchange (ETDEWEB)

    Galicia A, J.; Francois L, J. L. [UNAM, Facultad de Ingenieria, Departamento de Sistemas Energeticos, Ciudad Universitaria, 04510 Ciudad de Mexico (Mexico); Aguilar H, F., E-mail: blink19871@hotmail.com [ININ, Carretera Mexico-Toluca s/n, 52750 Ocoyoacac, Estado de Mexico (Mexico)

    2015-09-15

    The main purpose of this paper is to obtain a model of the reactor core TRIGA Mark III that accurately represents the real operating conditions to 1 M Wth, using the Monte Carlo code MCNP5. To provide a more detailed analysis, different models of the reactor core were realized by simulating the control rods extracted and inserted in conditions in cold (293 K) also including an analysis for shutdown margin, so that satisfied the Operation Technical Specifications. The position they must have the control rods to reach a power equal to 1 M Wth, were obtained from practice entitled Operation in Manual Mode performed at Instituto Nacional de Investigaciones Nucleares (ININ). Later, the behavior of the K{sub eff} was analyzed considering different temperatures in the fuel elements, achieving calculate subsequently the values that best represent the actual reactor operation. Finally, the calculations in the developed model for to obtain the distribution of average flow of thermal, epithermal and fast neutrons in the six new experimental facilities are presented. (Author)

  2. Structural, EPR, and Mössbauer characterization of (μ-alkoxo)(μ-carboxylato)diiron(II,III) model complexes for the active sites of mixed-valent diiron enzymes.

    Science.gov (United States)

    Li, Feifei; Chakrabarti, Mrinmoy; Dong, Yanhong; Kauffmann, Karl; Bominaar, Emile L; Münck, Eckard; Que, Lawrence

    2012-03-05

    To obtain structural and spectroscopic models for the diiron(II,III) centers in the active sites of diiron enzymes, the (μ-alkoxo)(μ-carboxylato)diiron(II,III) complexes [Fe(II)Fe(III)(N-Et-HPTB)(O(2)CPh)(NCCH(3))(2)](ClO(4))(3) (1) and [Fe(II)Fe(III)(N-Et-HPTB)(O(2)CPh)(Cl)(HOCH(3))](ClO(4))(2) (2) (N-Et-HPTB = N,N,N',N'-tetrakis(2-(1-ethyl-benzimidazolylmethyl))-2-hydroxy-1,3-diaminopropane) have been prepared and characterized by X-ray crystallography, UV-visible absorption, EPR, and Mössbauer spectroscopies. Fe1-Fe2 separations are 3.60 and 3.63 Å, and Fe1-O1-Fe2 bond angles are 128.0° and 129.4° for 1 and 2, respectively. Mössbauer and EPR studies of 1 show that the Fe(III) (S(A) = 5/2) and Fe(II) (S(B) = 2) sites are antiferromagnetically coupled to yield a ground state with S = 1/2 (g= 1.75, 1.88, 1.96); Mössbauer analysis of solid 1 yields J = 22.5 ± 2 cm(-1) for the exchange coupling constant (H = JS(A)·S(B) convention). In addition to the S = 1/2 ground-state spectrum of 1, the EPR signal for the S = 3/2 excited state of the spin ladder can also be observed, the first time such a signal has been detected for an antiferromagnetically coupled diiron(II,III) complex. The anisotropy of the (57)Fe magnetic hyperfine interactions at the Fe(III) site is larger than normally observed in mononuclear complexes and arises from admixing S > 1/2 excited states into the S = 1/2 ground state by zero-field splittings at the two Fe sites. Analysis of the "D/J" mixing has allowed us to extract the zero-field splitting parameters, local g values, and magnetic hyperfine structural parameters for the individual Fe sites. The methodology developed and followed in this analysis is presented in detail. The spin Hamiltonian parameters of 1 are related to the molecular structure with the help of DFT calculations. Contrary to what was assumed in previous studies, our analysis demonstrates that the deviations of the g values from the free electron value (g = 2) for the

  3. Adjusting of Wind Input Source Term in WAVEWATCH III Model for the Middle-Sized Water Body on the Basis of the Field Experiment

    Directory of Open Access Journals (Sweden)

    Alexandra Kuznetsova

    2016-01-01

    Full Text Available Adjusting of wind input source term in numerical model WAVEWATCH III for the middle-sized water body is reported. For this purpose, the field experiment on Gorky Reservoir is carried out. Surface waves are measured along with the parameters of the airflow. The measurement of wind speed in close proximity to the water surface is performed. On the basis of the experimental results, the parameterization of the drag coefficient depending on the 10 m wind speed is proposed. This parameterization is used in WAVEWATCH III for the adjusting of the wind input source term within WAM 3 and Tolman and Chalikov parameterizations. The simulation of the surface wind waves within tuned to the conditions of the middle-sized water body WAVEWATCH III is performed using three built-in parameterizations (WAM 3, Tolman and Chalikov, and WAM 4 and adjusted wind input source term parameterizations. Verification of the applicability of the model to the middle-sized reservoir is performed by comparing the simulated data with the results of the field experiment. It is shown that the use of the proposed parameterization CD(U10 improves the agreement in the significant wave height HS from the field experiment and from the numerical simulation.

  4. Students’ Perspective On The Impact Of The Title III Program On Doctoral And Professional Programs At Minority Serving Institutions: An Analysis Using A Multilevel Rasch Rating Scale Model

    Directory of Open Access Journals (Sweden)

    Aloyce R. Kaliba

    2012-12-01

    Full Text Available We assessed the impact of Part B, section 326 of the Title III program using data from three historically Black Universities. The Title III program aims at strengthening the resource capacity of Historically Black Colleges and Universities (HBCUs with eligible doctoral and professional programs. The lack of documented quantitative impact contributes to skepticism regarding program efficacy. A web-based survey instrument was used to collect data from students across five domains: research and instruction; technology development; facilities improvement; student financial assistance; and student services. A multilevel Rasch Rating Scale Model (ARSM was utilized for data analysis. The students indicated that the program has intermediate to high impact on research and instruction and low impact on tutorial and counseling services and outreach programs.

  5. Electrical properties of III-Nitride LEDs: Recombination-based injection model and theoretical limits to electrical efficiency and electroluminescent cooling

    Science.gov (United States)

    David, Aurelien; Hurni, Christophe A.; Young, Nathan G.; Craven, Michael D.

    2016-08-01

    The current-voltage characteristic and ideality factor of III-Nitride quantum well light-emitting diodes (LEDs) grown on bulk GaN substrates are investigated. At operating temperature, these electrical properties exhibit a simple behavior. A model in which only active-region recombinations have a contribution to the LED current is found to account for experimental results. The limit of LED electrical efficiency is discussed based on the model and on thermodynamic arguments, and implications for electroluminescent cooling are examined.

  6. A 2-year intercomparison of the WAM-Cycle4 and the WAVEWATCH-III wave models implemented within the Mediterranean Sea

    Directory of Open Access Journals (Sweden)

    G. KORRES

    2012-12-01

    Full Text Available In this work we present the implementation of a wave forecast/hindcast system for the Mediterranean Sea at a 1/10º horizontal resolution and we show a first assessment of its performance by inter-comparing model results to observational data time series at selected points for the period 2000-2001. The system which is part of the POSEIDON-II operational system includes the WAM – Cycle4 and the WAVEWATCH-III wave forecast models (implemented within the same region one way coupled with the non-hydrostatic version of the ETA atmospheric model which provides at 3-hour intervals the necessary wind velocity fields to the wave models. The same system but based on the WAM-Cycle4 wave model, has been used in the past for the production of the Aegean Sea wind and wave Atlas. Overall, the inter-comparison shows that both wave models are rather skilful in predicting the integral wave parameters with significant wave height skill scores in the range 0.85-0.90 and mean period scores in the range 0.77-0.83. It is also evident that WAM model has a tendency to overestimate mean wave periods while the opposite is true for WAVEWATCH-III model. Differences between the two models simulated spectra exist along the main passage of cyclonic systems over the Mediterranean Sea while in the wind seas dominated areas of the basin (the Aegean Sea for example the two models show almost the same behavior.

  7. Experimental determination of water activity for binary aqueous cerium(III) ionic solutions: application to an assessment of the predictive capability of the binding mean spherical approximation model.

    Science.gov (United States)

    Ruas, Alexandre; Simonin, Jean-Pierre; Turq, Pierre; Moisy, Philippe

    2005-12-08

    This work is aimed at a description of the thermodynamic properties of actinide salt solutions at high concentration. The predictive capability of the binding mean spherical approximation (BIMSA) theory to describe the thermodynamic properties of electrolytes is assessed in the case of aqueous solutions of lanthanide(III) nitrate and chloride salts. Osmotic coefficients of cerium(III) nitrate and chloride were calculated from other lanthanide(III) salts properties. In parallel, concentrated binary solutions of cerium nitrate were prepared in order to measure experimentally its water activity and density as a function of concentration, at 25 degrees C. Water activities of several binary solutions of cerium chloride were also measured to check existing data on this salt. Then, the properties of cerium chloride and cerium nitrate solutions were compared within the BIMSA model. Osmotic coefficient values for promethium nitrate and promethium chloride given by this theory are proposed. Finally, water activity measurements were made to examine the fact that the ternary system Ce(NO3)3/HNO3/H2O and the quaternary system Ce(NO3)3/HNO3/N2H5NO3/H2O may be regarded as "simple solutions" (in the sense of Zdanovskii and Mikulin).

  8. Subsurface Uranium Fate and Transport: Integrated Experiments and Modeling of Coupled Biogeochemical Mechanisms of Nanocrystalline Uraninite Oxidation by Fe(III)-(hydr)oxides - Project Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Peyton, Brent M. [Montana State Univ., Bozeman, MT (United States); Timothy, Ginn R. [Univ. of California, Davis, CA (United States); Sani, Rajesh K. [South Dakota School of Mines and Technology, Rapid City, SD (United States)

    2013-08-14

    citrate. To complement to these laboratory studies, we collected U-bearing samples from a surface seep at the Rifle field site and have measured elevated U concentrations in oxic iron-rich sediments. To translate experimental results into numerical analysis of U fate and transport, a reaction network was developed based on Sani et al. (2004) to simulate U(VI) bioreduction with concomitant UO2 reoxidation in the presence of hematite or ferrihydrite. The reduction phase considers SRB reduction (using lactate) with the reductive dissolution of Fe(III) solids, which is set to be microbially mediated as well as abiotically driven by sulfide. Model results show the oxidation of HS– by Fe(III) directly competes with UO2 reoxidation as Fe(III) oxidizes HS– preferentially over UO2. The majority of Fe reduction is predicted to be abiotic, with ferrihydrite becoming fully consumed by reaction with sulfide. Predicted total dissolved carbonate concentrations from the degradation of lactate are elevated (log(pCO2) ~ –1) and, in the hematite system, yield close to two orders-of-magnitude higher U(VI) concentrations than under initial carbonate concentrations of 3 mM. Modeling of U(VI) bioreduction with concomitant reoxidation of UO2 in the presence of ferrihydrite was also extended to a two-dimensional field-scale groundwater flow and biogeochemically reactive transport model for the South Oyster site in eastern Virginia. This model was developed to simulate the field-scale immobilization and subsequent reoxidation of U by a biologically mediated reaction network.

  9. Spectroscopic and Kinetic Characterization of Peroxidase-Like π-Cation Radical Pinch-Porphyrin-Iron(III Reaction Intermediate Models of Peroxidase Enzymes

    Directory of Open Access Journals (Sweden)

    Samuel Hernández Anzaldo

    2016-06-01

    Full Text Available The spectroscopic and kinetic characterization of two intermediates from the H2O2 oxidation of three dimethyl ester [(proto, (meso, (deuteroporphyrinato (picdien]Fe(III complexes ([FePPPic], [FeMPPic] and [FeDPPic], respectively pinch-porphyrin peroxidase enzyme models, with s = 5/2 and 3/2 Fe(III quantum mixed spin (qms ground states is described herein. The kinetic study by UV/Vis at λmax = 465 nm showed two different types of kinetics during the oxidation process in the guaiacol test for peroxidases (1–3 + guaiacol + H2O2 → oxidation guaiacol products. The first intermediate was observed during the first 24 s of the reaction. When the reaction conditions were changed to higher concentration of pinch-porphyrins and hydrogen peroxide only one type of kinetics was observed. Next, the reaction was performed only between pinch-porphyrins-Fe(III and H2O2, resulting in only two types of kinetics that were developed during the first 0–4 s. After this time a self-oxidation process was observed. Our hypotheses state that the formation of the π-cation radicals, reaction intermediates of the pinch-porphyrin-Fe(III family with the ligand picdien [N,N’-bis-pyridin-2-ylmethyl-propane-1,3-diamine], occurred with unique kinetics that are different from the overall process and was involved in the oxidation pathway. UV-Vis, 1H-NMR and ESR spectra confirmed the formation of such intermediates. The results in this paper highlight the link between different spectroscopic techniques that positively depict the kinetic traits of artificial compounds with enzyme-like activity.

  10. Biogenic uraninite precipitation and its reoxidation by iron(III) (hydr)oxides: A reaction modeling approach

    Science.gov (United States)

    Spycher, Nicolas F.; Issarangkun, Montarat; Stewart, Brandy D.; Sevinç Şengör, S.; Belding, Eileen; Ginn, Tim R.; Peyton, Brent M.; Sani, Rajesh K.

    2011-08-01

    One option for immobilizing uranium present in subsurface contaminated groundwater is in situ bioremediation, whereby dissimilatory metal-reducing bacteria and/or sulfate-reducing bacteria are stimulated to catalyze the reduction of soluble U(VI) and precipitate it as uraninite (UO 2). This is typically accomplished by amending groundwater with an organic electron donor. It has been shown, however, that once the electron donor is entirely consumed, Fe(III) (hydr)oxides can reoxidize biogenically produced UO 2, thus potentially impeding cleanup efforts. On the basis of published experiments showing that such reoxidation takes place even under highly reducing conditions (e.g., sulfate-reducing conditions), thermodynamic and kinetic constraints affecting this reoxidation are examined using multicomponent biogeochemical simulations, with particular focus on the role of sulfide and Fe(II) in solution. The solubility of UO 2 and Fe(III) (hydr)oxides are presented, and the effect of nanoscale particle size on stability is discussed. Thermodynamically, sulfide is preferentially oxidized by Fe(III) (hydr)oxides, compared to biogenic UO 2, and for this reason the relative rates of sulfide and UO 2 oxidation play a key role on whether or not UO 2 reoxidizes. The amount of Fe(II) in solution is another important factor, with the precipitation of Fe(II) minerals lowering the Fe +2 activity in solution and increasing the potential for both sulfide and UO 2 reoxidation. The greater (and unintuitive) UO 2 reoxidation by hematite compared to ferrihydrite previously reported in some experiments can be explained by the exhaustion of this mineral from reaction with sulfide. Simulations also confirm previous studies suggesting that carbonate produced by the degradation of organic electron donors used for bioreduction may significantly increase the potential for UO 2 reoxidation through formation of uranyl carbonate aqueous complexes.

  11. Novel Low Spin Mixed Ligand Thiohydrazide Complexes of Iron(III: Synthesis, Spectral Characterization, Molecular Modeling, and Antibacterial Activity

    Directory of Open Access Journals (Sweden)

    Dolan Sengupta

    2014-01-01

    Full Text Available Mixed ligand complexes of Fe(III with aromatic thiohydrazides of general composition [Fe(acac(L2] have been synthesized and characterized (acac-acetylacetonate, L = bidentate uninegative aromatic thiohydrazide ligand, for example, thiobenzhydrazide, 2-hydroxythiobenzhydrazide, furan-2-thiohydrazide, and thiophen-2-thiohydrazide. The magnetic susceptibility data and the EPR spectra of these complexes suggested the formation of rhombically distorted low spin iron center (d5 in octahedral environment, which was also supported by the UV-vis spectral data of the complexes. Biological studies of these complexes also indicated that the iron-thiohydrazido complexes have superior antibacterial properties compared to the corresponding ligands.

  12. Modeling the chelation of As(III) in lewisite by dithiols using density functional theory and solvent-assisted proton exchange.

    Science.gov (United States)

    Harper, Lenora K; Bayse, Craig A

    2015-12-01

    Dithiols such as British anti-lewisite (BAL, rac-2,3-dimercaptopropanol) are an important class of antidotes for the blister agent lewisite (trans-2-chlorovinyldichloroarsine) and, more generally, are chelating agents for arsenic and other toxic metals. The reaction of the vicinal thiols of BAL with lewisite through the chelation of the As(III) center has been modeled using density functional theory (DFT) and solvent-assisted proton exchange (SAPE), a microsolvation method that uses a network of water molecules to mimic the role of bulk solvent in models of aqueous phase chemical reactions. The small activation barriers for the stepwise SN2-type nucleophilic attack of BAL on lewisite (0.7-4.9kcal/mol) are consistent with the favorable leaving group properties of the chloride and the affinity of As(III) for soft sulfur nucleophiles. Small, but insignificant, differences in activation barriers were found for the initial attack of the primary versus secondary thiol of BAL and the R vs S enantiomer. An examination of the relative stability of various dithiol-lewisite complexes shows that ethanedithiols like BAL form the most favorable chelation complexes because the angles formed in five-membered ring are most consistent with the hybridization of As(III). More obtuse S-As-S angles are required for larger chelate rings, but internal As⋯N or As⋯O interactions can enhance the stability of moderate-sized rings. The low barriers for lewisite detoxification by BAL and the greater stability of the chelation complexes of small dithiols are consistent with the rapid reversal of toxicity demonstrated in previously reported animal models.

  13. Oxidation of dibenzothiophene as a model substrate for the removal of organic sulphur from fossil fuels by iron(III ions generated from pyrite by Acidithiobacillus ferrooxidans

    Directory of Open Access Journals (Sweden)

    VLADIMIR P. BESKOSKI

    2007-06-01

    Full Text Available Within this paper a new idea for the removal of organically bonded sulphur from fossil fuels is discussed. Dibenzothiophene (DBT was used as a model compound of organicmolecules containing sulphur. This form of (biodesulphurization was performed by an indirect mechanism in which iron(III ions generated from pyrite by Acidithiobacillus ferrooxidans performed the abiotic oxidation. The obtained reaction products, dibenzothiopene sulfoxide and dibenzothiophene sulfone, are more soluble in water than the basic substrate and the obtained results confirmed the basic hypothesis and give the posibility of continuing the experiments related to application of this (biodesulphurization process.

  14. Mathematical model of uptake and metabolism of arsenic(III in human hepatocytes - Incorporation of cellular antioxidant response and threshold-dependent behavior

    Directory of Open Access Journals (Sweden)

    Isukapalli Sastry S

    2011-01-01

    Full Text Available Abstract Background Arsenic is an environmental pollutant, potent human toxicant, and oxidative stress agent with a multiplicity of health effects associated with both acute and chronic exposures. A semi-mechanistic cellular-level toxicokinetic (TK model was developed in order to describe the uptake, biotransformation and clearance of arsenical species in human hepatocytes. Notable features of this model are the incorporation of arsenic-glutathione complex formation and a "switch-like" formulation to describe the antioxidant response of hepatocytes to arsenic exposure. Results The cellular-level TK model applies mass action kinetics in order to predict the concentrations of trivalent and pentavalent arsenicals in hepatocytes. The model simulates uptake of arsenite (iAsIII via aquaporin isozymes 9 (AQP9s, glutathione (GSH conjugation, methylation by arsenic methyltransferase (AS3MT, efflux through multidrug resistant proteins (MRPs and the induced antioxidant response via thioredoxin reductase (TR activity. The model was parameterized by optimization of model estimates for arsenite (iAsIII, monomethylated (MMA and dimethylated (DMA arsenicals concentrations with time-course experimental data in human hepatocytes for a time span of 48 hours, and dose-response data at 24 hours for a range of arsenite concentrations from 0.1 to 10 μM. Global sensitivity analysis of the model showed that at low doses the transport parameters had a dominant role, whereas at higher doses the biotransformation parameters were the most significant. A parametric comparison of the TK model with an analogous model developed for rat hepatocytes from the literature demonstrated that the biotransformation of arsenite (e.g. GSH conjugation has a large role in explaining the variation in methylation between rats and humans. Conclusions The cellular-level TK model captures the temporal modes of arsenical accumulation in human hepatocytes. It highlighted the key biological

  15. DNA translocation by type III restriction enzymes: a comparison of current models of their operation derived from ensemble and single-molecule measurements.

    Science.gov (United States)

    Dryden, David T F; Edwardson, J M; Henderson, Robert M

    2011-06-01

    Much insight into the interactions of DNA and enzymes has been obtained using a number of single-molecule techniques. However, recent results generated using two of these techniques-atomic force microscopy (AFM) and magnetic tweezers (MT)-have produced apparently contradictory results when applied to the action of the ATP-dependent type III restriction endonucleases on DNA. The AFM images show extensive looping of the DNA brought about by the existence of multiple DNA binding sites on each enzyme and enzyme dimerisation. The MT experiments show no evidence for looping being a requirement for DNA cleavage, but instead support a diffusive sliding of the enzyme on the DNA until an enzyme-enzyme collision occurs, leading to cleavage. Not only do these two methods appear to disagree, but also the models derived from them have difficulty explaining some ensemble biochemical results on DNA cleavage. In this 'Survey and Summary', we describe several different models put forward for the action of type III restriction enzymes and their inadequacies. We also attempt to reconcile the different models and indicate areas for further experimentation to elucidate the mechanism of these enzymes.

  16. A Family Study of the DSM-5 Section III Personality Pathology Model Using the Personality Inventory for the DSM-5 (PID-5).

    Science.gov (United States)

    Katz, Andrea C; Hee, Danelle; Hooker, Christine I; Shankman, Stewart A

    2017-10-03

    In Section III of the DSM-5, the American Psychiatric Association (APA) proposes a pathological personality trait model of personality disorders. The recommended assessment instrument is the Personality Inventory for the DSM-5 (PID-5), an empirically derived scale that assesses personality pathology along five domains and 25 facets. Although the PID-5 demonstrates strong convergent validity with other personality measures, no study has examined whether it identifies traits that run in families, another important step toward validating the DSM-5's dimensional model. Using a family study method, we investigated familial associations of PID-5 domain and facet scores in 195 families, examining associations between parents and offspring and across siblings. The Psychoticism, Antagonism, and Detachment domains showed significant familial aggregation, as did facets of Negative Affect and Disinhibition. Results are discussed in the context of personality pathology and family study methodology. The results also help validate the PID-5, given the familial nature of personality traits.

  17. Development of fracture facets from a crack loaded in mode I+III: Solution and application of a model 2D problem

    Science.gov (United States)

    Leblond, Jean-Baptiste; Frelat, Joël

    2014-03-01

    It is experimentally well-known that a crack loaded in mode I+III propagates through formation of discrete fracture facets inclined at a certain tilt angle on the original crack plane, depending on the ratio of the mode III to mode I initial stress intensity factors. Pollard et al. (1982) have proposed to calculate this angle by considering the tractions on all possible future infinitesimal facets and assuming shear tractions to be zero on that which will actually develop. In this paper we consider the opposite case of well-developed facets; the stress field near the lateral fronts of such facets becomes independent of the initial crack and essentially 2D in a plane perpendicular to the main direction of crack propagation. To determine this stress field, we solve the model 2D problem of an infinite plate containing an infinite periodic array of cracks inclined at some angle on a straight line, and loaded through uniform stresses at infinity. This is done first analytically, for small values of this angle, by combining Muskhelishvili's (1953) formalism and a first-order perturbation procedure. The formulae found for the 2D stress intensity factors are then extended in an approximate way to larger angles by using another reference solution, and finally assessed through comparison with some finite element results. To finally illustrate the possible future application of these formulae to the prediction of the stationary tilt angle, we introduce the tentative assumption that the 2D mode II stress intensity factor is zero on the lateral fronts of the facets. An approximate formula providing the tilt angle as a function of the ratio of the mode III to mode I stress intensity factors of the initial crack is deduced from there. This formula, which slightly depends on the type of loading imposed, predicts somewhat smaller angles than that of Pollard et al. (1982).

  18. Electronic structure description of a [Co(III)3Co(IV)O4] cluster: a model for the paramagnetic intermediate in cobalt-catalyzed water oxidation.

    Science.gov (United States)

    McAlpin, J Gregory; Stich, Troy A; Ohlin, C André; Surendranath, Yogesh; Nocera, Daniel G; Casey, William H; Britt, R David

    2011-10-01

    Multifrequency electron paramagnetic resonace (EPR) spectroscopy and electronic structure calculations were performed on [Co(4)O(4)(C(5)H(5)N)(4)(CH(3)CO(2))(4)](+) (1(+)), a cobalt tetramer with total electron spin S = 1/2 and formal cobalt oxidation states III, III, III, and IV. The cuboidal arrangement of its cobalt and oxygen atoms is similar to that of proposed structures for the molecular cobaltate clusters of the cobalt-phosphate (Co-Pi) water-oxidizing catalyst. The Davies electron-nuclear double resonance (ENDOR) spectrum is well-modeled using a single class of hyperfine-coupled (59)Co nuclei with a modestly strong interaction (principal elements of the hyperfine tensor are equal to [-20(±2), 77(±1), -5(±15)] MHz). Mims (1)H ENDOR spectra of 1(+) with selectively deuterated pyridine ligands confirm that the amount of unpaired spin on the cobalt-bonding partner is significantly reduced from unity. Multifrequency (14)N ESEEM spectra (acquired at 9.5 and 34.0 GHz) indicate that four nearly equivalent nitrogen nuclei are coupled to the electron spin. Cumulatively, our EPR spectroscopic findings indicate that the unpaired spin is delocalized almost equally across the eight core atoms, a finding corroborated by results from DFT calculations. Each octahedrally coordinated cobalt ion is forced into a low-spin electron configuration by the anionic oxo and carboxylato ligands, and a fractional electron hole is localized on each metal center in a Co 3d(xz,yz)-based molecular orbital for this essentially [Co(+3.125)(4)O(4)] system. Comparing the EPR spectrum of 1(+) with that of the catalyst film allows us to draw conclusions about the electronic structure of this water-oxidation catalyst.

  19. Education as Experimentation: A Planned Variation Model. Volume IIIA: Findings: Cohort II; Interim Findings: Cohort III. Volume IIIB: Appendices.

    Science.gov (United States)

    Stebbins, Linda B.; And Others

    This segment of the national evaluation study of the Follow Through Planned Variation Model reviews the background of the study, describes 13 of the Follow Through models involved, and presents an analysis of the effects of these models on students. The analysis is based on data from 4 years of Follow Through participation by Cohort II children…

  20. Narrow-line seyfert 1 galaxies: the [O III] λ5007/Hβ ratio and photoionization models for the nlr

    Directory of Open Access Journals (Sweden)

    Alberto Ardila Rodríguez

    2000-01-01

    Full Text Available Estudiamos los per les opticos y las condiciones f sicas de la regi on de l neas estrechas (NLR de galaxias Seyfert 1 con l neas estrechas (NLS1s. Los resultados muestran que el ujo asociado a la componente estrecha de H puede ser un factor de hasta 10 veces mayor que el valor usualmente adoptado en la literatura. Como consecuencia, la raz on [O III] 5007/H oscila entre 1 hasta 5, en lugar del valor de 10 comunmente adoptado. Probamos modelos de fotoionizaci on que consideran una NLR compuesta de una combinaci on de nubes limitadas por materia y limitadas por radiaci on y mostramos que este escenario reproduce de forma satisfactoria las razones de l neas de emisi on observadas. Proponemos que las propiedades peculiares de la NLR en las NLS1s pueden ser explicadas por un continuo inclinado de tipo ley de potencia en la region EUV{Rayos-X blandos, con un ndice espectral

  1. Examination of the coordination sphere of Al(III) in trifluoromethyl-heteroarylalkenolato complex ions by gas-phase IRMPD spectroscopy and computational modelling.

    Science.gov (United States)

    Brückmann, Lisa; Tyrra, Wieland; Mathur, Sanjay; Berden, Giel; Oomens, Jos; Meijer, Anthony J H M; Schäfer, Mathias

    2012-06-01

    A series of aluminium complex ions with trifluoromethyl-heteroarylalkenolato (TMHA) ligands are studied by gas-phase infrared multiphoton-dissociation (IRMPD) spectroscopy and computational modelling. The selected series of aluminium TMHA complex ions are promising species for the initial study of intrinsic binding characteristics of Al(III) cations in the gas phase as corresponding molecular ions. They are readily available for examination by (+) and (-) electrospray ionization mass spectrometry (ESI-MS) by spraying of [Al(3+)⋅(L(-))(3)] solutions. The complex ions under investigation contain trivalent Al(3+) cations with two chelating anionic enolate ligands, [Al(3+)⋅(L(-))(2)](+), providing insights in the nature of the heteroatom-Al bonds. Additionally, the structure of a deprotonated benzimidazole ligand, L(-,) and an anionic complex ion of Al(III) with two doubly deprotonated benzimidazole ligands, [Al(3+)⋅(L(2-))(2)](-), are examined by (-)ESI-IRMPD spectroscopy. Experimental and computational results are highly consistent and allow a reliable identification of the ion structures. In all complex ions examined the planar TMHA ligands are oriented perpendicular to each other around the metal ion, leading to a tetrahedral coordination sphere in which aluminium interacts with the enolate oxygen and heteroaryl nitrogen atoms available in each of the bidentate ligands.

  2. Understanding the sequential activation of Type III and Type VI Secretion Systems in Salmonella typhimurium using Boolean modeling

    Science.gov (United States)

    2013-01-01

    Background Three pathogenicity islands, viz. SPI-1 (Salmonella pathogenicity island 1), SPI-2 (Salmonella pathogenicity island 2) and T6SS (Type VI Secretion System), present in the genome of Salmonella typhimurium have been implicated in the virulence of the pathogen. While the regulation of SPI-1 and SPI-2 (both encoding components of the Type III Secretion System - T3SS) are well understood, T6SS regulation is comparatively less studied. Interestingly, inter-connections among the regulatory elements of these three virulence determinants have also been suggested to be essential for successful infection. However, till date, an integrated view of gene regulation involving the regulators of these three secretion systems and their cross-talk is not available. Results In the current study, relevant regulatory information available from literature have been integrated into a single Boolean network, which portrays the dynamics of T3SS (SPI-1 and SPI-2) and T6SS mediated virulence. Some additional regulatory interactions involving a two-component system response regulator YfhA have also been predicted and included in the Boolean network. These predictions are aimed at deciphering the effects of osmolarity on T6SS regulation, an aspect that has been suggested in earlier studies, but the mechanism of which was hitherto unknown. Simulation of the regulatory network was able to recreate in silico the experimentally observed sequential activation of SPI-1, SPI-2 and T6SS. Conclusions The present study integrates relevant gene regulatory data (from literature and our prediction) into a single network, representing the cross-communication between T3SS (SPI-1 and SPI-2) and T6SS. This holistic view of regulatory interactions is expected to improve the current understanding of pathogenesis of S. typhimurium. PMID:24079299

  3. Density Functional Theory Modeling of Low-Loss Electron Energy-Loss Spectroscopy in Wurtzite III-Nitride Ternary Alloys.

    Science.gov (United States)

    Eljarrat, Alberto; Sastre, Xavier; Peiró, Francesca; Estradé, Sónia

    2016-06-01

    In the present work, the dielectric response of III-nitride semiconductors is studied using density functional theory (DFT) band structure calculations. The aim of this study is to improve our understanding of the features in the low-loss electron energy-loss spectra of ternary alloys, but the results are also relevant to optical and UV spectroscopy results. In addition, the dependence of the most remarkable features with composition is tested, i.e. applying Vegard's law to band gap and plasmon energy. For this purpose, three wurtzite ternary alloys, from the combination of binaries AlN, GaN, and InN, were simulated through a wide compositional range (i.e., Al x Ga1-x N, In x Al1-x N, and In x Ga1-x N, with x=[0,1]). For this DFT calculations, the standard tools found in Wien2k software were used. In order to improve the band structure description of these semiconductor compounds, the modified Becke-Johnson exchange-correlation potential was also used. Results from these calculations are presented, including band structure, density of states, and complex dielectric function for the whole compositional range. Larger, closer to experimental values, band gap energies are predicted using the novel potential, when compared with standard generalized gradient approximation. Moreover, a detailed analysis of the collective excitation features in the dielectric response reveals their compositional dependence, which sometimes departs from a linear behavior (bowing). Finally, an advantageous method for measuring the plasmon energy dependence from these calculations is explained.

  4. Psychometric Testing of the FACES III with Rural Adolescents

    Science.gov (United States)

    Ide, Bette; Dingmann, Colleen; Cuevas, Elizabeth; Meehan, Maurita

    2010-01-01

    This study tests the validity and reliability of the Family Adaptability and Cohesion Scale III (FACES III) in two samples of rural adolescents. The underlying theory is the linear 3-D circumplex model. The FACES III was administered to 1,632 adolescents in Grades 7 through 12 in two counties in a rural western state. The FACES III Scale and the…

  5. Graphics Gems III IBM version

    CERN Document Server

    Kirk, David

    1994-01-01

    This sequel to Graphics Gems (Academic Press, 1990), and Graphics Gems II (Academic Press, 1991) is a practical collection of computer graphics programming tools and techniques. Graphics Gems III contains a larger percentage of gems related to modeling and rendering, particularly lighting and shading. This new edition also covers image processing, numerical and programming techniques, modeling and transformations, 2D and 3D geometry and algorithms,ray tracing and radiosity, rendering, and more clever new tools and tricks for graphics programming. Volume III also includes a

  6. X-Ray Reflected Spectra from Accretion Disk Models. III. A Complete Grid of Ionized Reflection Calculations

    Science.gov (United States)

    García, J.; Dauser, T.; Reynolds, C. S.; Kallman, T. R.; McClintock, J. E.; Wilms, J.; Eikmann, W.

    2013-05-01

    We present a new and complete library of synthetic spectra for modeling the component of emission that is reflected from an illuminated accretion disk. The spectra were computed using an updated version of our code XILLVER that incorporates new routines and a richer atomic database. We offer in the form of a table model an extensive grid of reflection models that cover a wide range of parameters. Each individual model is characterized by the photon index Γ of the illuminating radiation, the ionization parameter ξ at the surface of the disk (i.e., the ratio of the X-ray flux to the gas density), and the iron abundance A Fe relative to the solar value. The ranges of the parameters covered are 1.2 law flux. The models are expected to provide an accurate description of the Fe K emission line, which is the crucial spectral feature used to measure black hole spin. A total of 720 reflection spectra are provided in a single FITS file (http://hea-www.cfa.harvard.edu/~javier/xillver/) suitable for the analysis of X-ray observations via the atable model in XSPEC. Detailed comparisons with previous reflection models illustrate the improvements incorporated in this version of XILLVER.

  7. Type-III two Higgs doublet model plus a pseudoscalar confronted with h→μτ, muon g−2 and dark matter

    Directory of Open Access Journals (Sweden)

    Xuewen Liu

    2016-08-01

    Full Text Available In this work, we introduce an extra singlet pseudoscalar into the Type-III two Higgs doublet model (2HDM which is supposed to solve a series of problems in the modern particle-cosmology. With existence of a light pseudoscalar, the h→μτ excess measured at CMS and as well as the (g−2μ anomaly could be simultaneously explained within certain parameter spaces that can also tolerate the data on the flavor-violating processes τ→μγ and Higgs decay gained at LHC. Within the same parameter spaces, the DM relic abundance is well accounted. Moreover, the recently observed Galactic Center gamma ray excess (GCE is proposed to realize through dark matter (DM pair annihilations, and in this work, the scenario of the annihilation being mediated by the pseudoscalar is also addressed.

  8. Type-III two Higgs doublet model plus a pseudoscalar confronted with h → μτ, muon g - 2 and dark matter

    Science.gov (United States)

    Liu, Xuewen; Bian, Ligong; Li, Xue-Qian; Shu, Jing

    2016-08-01

    In this work, we introduce an extra singlet pseudoscalar into the Type-III two Higgs doublet model (2HDM) which is supposed to solve a series of problems in the modern particle-cosmology. With existence of a light pseudoscalar, the h → μτ excess measured at CMS and as well as the (g - 2) μ anomaly could be simultaneously explained within certain parameter spaces that can also tolerate the data on the flavor-violating processes τ → μγ and Higgs decay gained at LHC. Within the same parameter spaces, the DM relic abundance is well accounted. Moreover, the recently observed Galactic Center gamma ray excess (GCE) is proposed to realize through dark matter (DM) pair annihilations, and in this work, the scenario of the annihilation being mediated by the pseudoscalar is also addressed.

  9. Missed opportunities in the DSM-5 Section III personality disorder model: commentary on "personality disorders are the vanguard of the post-DSM-5.0 era".

    Science.gov (United States)

    Miller, Joshua D; Lynam, Donald R

    2013-10-01

    Comments on an article by Krueger (see record 2013-45025-008). The current authors appreciate the opportunity to comment on Krueger's article. They remark that as a member of the DSM-5 (American Psychiatric Association, 2013) Personality and Personality Disorders Work Group (PPDWG), he is in a unique position to describe the process surrounding the deliberations of the PPDWG and why their model was placed in Section III. Whereas Krueger offers that too much openness and contentiousness in the personality and personality disorder (PD) field were responsible for the difficulties faced by the DSM-5 PPDWG proposal, the current authors suggest another condition that may have been at play: myopia. The current authors discuss several shortsighted decisions made by the PPDWG that may have contributed to the disappointing outcome. Specifically, they describe ways in which the PPDWG ignored large bodies of extant research that could have guided and supported the proposal, inoculating it against many of the most damning critiques.

  10. Modelling galaxy spectra in presence of interstellar dust-III. From nearby galaxies to the distant Universe

    CERN Document Server

    Cassarà, Letizia P; Chiosi, Cesare

    2014-01-01

    Improving upon the standard evolutionary population synthesis (EPS) technique, we present spectrophotometric models of galaxies whose morphology goes from spherical structures to discs, properly accounting for the effect of dust in the interstellar medium (ISM). These models enclose three main physical components: the diffuse ISM composed by gas and dust, the complexes of molecular clouds (MCs) where active star formation occurs and the stars of any age and chemical composition. These models are based on robust evolutionary chemical models that provide the total amount of gas and stars present at any age and that are adjusted in order to match the gross properties of galaxies of different morphological type. We have employed the results for the properties of the ISM presented in Piovan, Tantalo & Chiosi (2006a) and the single stellar populations calculated by Cassar\\`a et al. (2013) to derive the spectral energy distributions (SEDs) of galaxies going from pure bulge to discs passing through a number of co...

  11. Scaling and long-range dependence in option pricing III: A fractional version of the Merton model with transaction costs

    Science.gov (United States)

    Wang, Xiao-Tian; Yan, Hai-Gang; Tang, Ming-Ming; Zhu, En-Hui

    2010-02-01

    A model for option pricing of fractional version of the Merton model with ‘Hurst exponent’ H being in [1/2,1) is established with transaction costs. In particular, for H∈(1/2,1) the minimal price Cmin(t,St) of an option under transaction costs is obtained, which displays that the timestep δt and the ‘Hurst exponent’ H play an important role in option pricing with transaction costs.

  12. Impact of a four-zero Yukawa texture on $h\\to \\gamma \\gamma$ and $\\gamma Z$ in the framework of the 2-Higgs Doublet Model Type III

    CERN Document Server

    Cordero-Cid, A; Honorato, C G; Moretti, S; Perez, M A; Rosado, A

    2013-01-01

    We study the substantial enhancement, with respect to the corresponding Standard Model rates, that can be obtained for the branching ratios of the decay channels $h \\to \\gamma \\gamma$ and $h\\to \\gamma Z$ within the framework of the 2-Higgs-Doublet Model Type III, assuming a four-zero Yukawa texture and a general Higgs potential. We show that these processes are very sensitive to the flavour pattern entering the Yukawa texture and to the triple coupling structure of the Higgs potential, both of which impact onto the aforementioned decays. We can accommodate the parameters of the model in such a way to obtain the $h \\to \\gamma \\gamma$ rates reported by the Large Hadron Collider and at the same time get a $h\\to \\gamma Z$ fraction much larger than in the Standard Model, indeed within experimental reach. We present some scenarios where this phenomenology is realised for spectrum configurations that are consistent with current constraints. We also discuss the possibility of obtaining a light charged Higgs boson com...

  13. The overlooked potential of generalized linear models in astronomy - III. Bayesian negative binomial regression and globular cluster populations

    Science.gov (United States)

    de Souza, R. S.; Hilbe, J. M.; Buelens, B.; Riggs, J. D.; Cameron, E.; Ishida, E. E. O.; Chies-Santos, A. L.; Killedar, M.

    2015-10-01

    In this paper, the third in a series illustrating the power of generalized linear models (GLMs) for the astronomical community, we elucidate the potential of the class of GLMs which handles count data. The size of a galaxy's globular cluster (GC) population (NGC) is a prolonged puzzle in the astronomical literature. It falls in the category of count data analysis, yet it is usually modelled as if it were a continuous response variable. We have developed a Bayesian negative binomial regression model to study the connection between NGC and the following galaxy properties: central black hole mass, dynamical bulge mass, bulge velocity dispersion and absolute visual magnitude. The methodology introduced herein naturally accounts for heteroscedasticity, intrinsic scatter, errors in measurements in both axes (either discrete or continuous) and allows modelling the population of GCs on their natural scale as a non-negative integer variable. Prediction intervals of 99 per cent around the trend for expected NGC comfortably envelope the data, notably including the Milky Way, which has hitherto been considered a problematic outlier. Finally, we demonstrate how random intercept models can incorporate information of each particular galaxy morphological type. Bayesian variable selection methodology allows for automatically identifying galaxy types with different productions of GCs, suggesting that on average S0 galaxies have a GC population 35 per cent smaller than other types with similar brightness.

  14. Photometric Redshifts and Model Spectral Energy Distributions of Galaxies From the SDSS-III BOSS DR10 Data

    CERN Document Server

    Greisel, N; Drory, N; Bender, R; Saglia, R P; Snigula, J

    2015-01-01

    We construct a set of model spectra specifically designed to match the colours of the BOSS CMASS galaxies and to be used with photometric redshift template fitting techniques. As a basis we use a set of spectral energy distributions (SEDs) of single and composite stellar population models. These models cannot describe well the whole colour range populated by the CMASS galaxies at all redshifts, wherefore we modify them by multiplying the SEDs with $\\lambda^{-\\beta}$ for $\\lambda>\\lambda_i$ for different values of $\\lambda_i$ and $\\beta$. When fitting these SEDs to the colours of the CMASS sample, with a burst and dust components in superposition, we can recreate the location in colour spaces inhabited by the CMASS galaxies. From the best fitting models we select a small subset in a two-dimensional plane, whereto the galaxies were mapped by a self-organizing map. These models are used for the estimation of photometric redshifts with a Bayesian template fitting code. The photometric redshifts with the novel tem...

  15. Black liquor combustion validated recovery boiler modeling: Final year report. Volume 3 (Appendices II, sections 2--3 and III)

    Energy Technology Data Exchange (ETDEWEB)

    Grace, T.M.; Frederick, W.J.; Salcudean, M.; Wessel, R.A.

    1998-08-01

    This project was initiated in October 1990, with the objective of developing and validating a new computer model of a recovery boiler furnace using a computational fluid dynamics (CFD) code specifically tailored to the requirements for solving recovery boiler flows, and using improved submodels for black liquor combustion based on continued laboratory fundamental studies. The key tasks to be accomplished were as follows: (1) Complete the development of enhanced furnace models that have the capability to accurately predict carryover, emissions behavior, dust concentrations, gas temperatures, and wall heat fluxes. (2) Validate the enhanced furnace models, so that users can have confidence in the predicted results. (3) Obtain fundamental information on aerosol formation, deposition, and hardening so as to develop the knowledge base needed to relate furnace model outputs to plugging and fouling in the convective sections of the boiler. (4) Facilitate the transfer of codes, black liquid submodels, and fundamental knowledge to the US kraft pulp industry. Volume 3 contains the following appendix sections: Formation and destruction of nitrogen oxides in recovery boilers; Sintering and densification of recovery boiler deposits laboratory data and a rate model; and Experimental data on rates of particulate formation during char bed burning.

  16. Development Study of Turbulent Kappa-Epsilon Model for Recirculation flow III : Two Dimension Recirculation Flow in a Reservoir

    Directory of Open Access Journals (Sweden)

    M. Syahril B. Kusuma

    2009-05-01

    Full Text Available An assessment of recirculation flow in Jatiluhur reservoir is conducted based on two dimensions turbulent K-e model. The numerical model was developed using finite difference method where hydrodynamic equation was solved by the combination of Mc Cormack and splitting methods. The K-e equation is solved using quickest scheme in convection term, central scheme in diffusion term and Euler scheme in reaction term. The simulations were done for maximum incoming flow during the rainy season and the dry season. Model results for the rainy season case have shown good agreement with those found by field measurement. The rainy season case generated a much recirculted flow and higher concentration of DO in the reservoir than that of the dry season case. Denser grid and high courant number is needed to avoid it from becoming oscillating and unstable and for achieving a more accurate results for the case with less average velocity.

  17. DECOVALEX III PROJECT. Thermal-Hydrological Modeling of the Yucca Mountain Project Drift Scale Test. Task 2A Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Datta, Robin N. [Bechtel SAlC Company, Las Vegas (US)] (comp.)

    2005-02-15

    Task 2A concerns coupled TH modeling of the DST test at Yucca mountain, with given results for geologic, thermal, mechanical, hydrologic, and mineralogic and petrologic characterization, as-built configuration of the test block of DST, including locations of various sensors and measuring instruments and the plans for heating and cooling, including expected heater powers at various times, and requiring predictions for distributions and evolutions of the temperature and saturation fields. Three teams of ENRESA (Spain), DOE (USA), and NRC (USA) teams participated the task with different approaches, using FEM code Bright with a double porosity structure (ENRESA), a FDM code MULTIFLO with a dual continuum approach and an active fracture model (NRC) and a FDM code TOUGH 2 with a dual permeability approach (DOE), respectively. Based on the results of the temperature and moisture distributions and temperature histories, it can be concluded that in general, the three models capture the TH response of the DST fairly well, although there are some differences between the teams' results. Conduction is the dominant heat-transfer mechanism in the fractured unsaturated rock in the DST, especially in the sub-boiling regime. However, the pore water plays an important role near the boiling point as it goes through cycles of vaporization and condensation causing the so called heat-pipe effect. A characteristic signature of heatpipes - a short lull in the rise of temperature - was captured by all three teams. The 2D modeling of the DST carried out by the ENRESA team initially was characterized by very little diffusion of vapor because the tortuosity factor was set at a low value of 0.05 and is referred to as the ND (No Diffusion) case. The recent 3D model with a tortuosity factor set at 1 and a vapor diffusion enhancement coefficient allows maximum vapor diffusion and is referred to as the MD (maximum diffusion) case. Comparative analyses of the modeling results for ND and MD

  18. Energy balance in the solar transition region. III - Helium emission in hydrostatic, constant-abundance models with diffusion

    Science.gov (United States)

    Fontenla, J. M.; Avrett, E. H.; Loeser, R.

    1993-01-01

    In our previous papers we described the mathematical formalism and the computed results for energy-balance hydrostatic models of the solar transition region. In this paper we discuss in some detail the limitations of the hydrostatic and one-dimensional assumptions used. Then we analyze the determination of helium emission when diffusion is included. We use transport coefficients estimated from kinetic theory to determine the helium departures from local ionization balance. We calculate the helium spectra for each of our models and evaluate the role of helium in the energy transport. Also, we investigate the effects of coronal illumination on the structure of the transition region and upper chromosphere, and show how coronal illumination affects various EUV lines and the He I 10830 A line. Comparing with both absolute intensities and detailed line profiles, we show that our models are consistent not only with the observed hydrogen spectra but also with the available helium spectra.

  19. Atmospheric Test Models and Numerical Experiments for the Simulation of the Global Distributions of Weather Data Transponders III. Horizontal Distributions

    Energy Technology Data Exchange (ETDEWEB)

    Molenkamp, C.R.; Grossman, A.

    1999-12-20

    A network of small balloon-borne transponders which gather very high resolution wind and temperature data for use by modern numerical weather predication models has been proposed to improve the reliability of long-range weather forecasts. The global distribution of an array of such transponders is simulated using LLNL's atmospheric parcel transport model (GRANTOUR) with winds supplied by two different general circulation models. An initial study used winds from CCM3 with a horizontal resolution of about 3 degrees in latitude and longitude, and a second study used winds from NOGAPS with a 0.75 degree horizontal resolution. Results from both simulations show that reasonable global coverage can be attained by releasing balloons from an appropriate set of launch sites.

  20. A model for steady state stage III creep regime at low-high stress/temperature range

    Directory of Open Access Journals (Sweden)

    Nicola Bonora

    2008-07-01

    Full Text Available Although diffusional flow creep is often considered out of practical engineering applications, the need for a model capable to account for the resulting action of both diffusional and dislocation type creep is justified by the increasing demands of reliable creep design for very long lives (exceeding 100.000h, high stress-low temperatures and high temperature-low stress regimes. In this paper, a creep model formulation, in which the change of the creep mechanism has been accounted for through an explicit dependence of the creep exponent n on stress and temperature, has been proposed. An application example of the proposed approach to high purity aluminum is given.

  1. Contributions to the dimensional assessment of personality disorders using Millon's model and the Millon Clinical Multiaxial Inventory (MCMI9-III).

    Science.gov (United States)

    Strack, Stephen; Millon, Theodore

    2007-08-01

    For over 35 years, Mllion's (1996) model of personality and the Millon Clinical Multiaxial Inventory (Millon, 1977, 1987, 2006) have been useful resources for clinicians to understand and assess personality disorders (PDs) and clinical syndromes in psychiatric patients. In this article, we highlight significant features of the model and test that have proved valuable to personologists in their quest for a more satisfactory taxonomy of PDs based on continuously distributed traits. We also describe Millon's (1996)prototypal domain approach to personality that combines dimensional and categorical elements for the description of PDs and their normal counterparts.

  2. Mathematical modeling of regulation of type III secretion system in Salmonella enterica serovar Typhimurium by SirA.

    Science.gov (United States)

    Ganesh, Aparna B; Rajasingh, Hannah; Mande, Sharmila S

    2009-01-01

    Salmonella enterica serovar Typhimurium invades the intestinal epithelial cells using type three secretion system (TTSS) encoded on Salmonella pathogenicity island-1 (SPI-1). The key regulator of this secretion system is HilA, which is in turn regulated by HilD, HilC and RtsA. It is also known that SirA/BarA system, a two-component regulatory system plays a crucial role in regulating HilA. There are two different mechanisms that have been proposed earlier for regulation of HilD-HilC-RtsA-HilA network by SirA. One considers SirA to be acting through HilA and HilC, whereas the other considers SirA to be acting through HilD. In this paper, we have built mathematical models corresponding to both these scenarios and carried out simulations under different gene knock-out conditions. Additionally, since the two proposed mechanisms based on the experimental data are equally likely, we also considered a mechanism which is a combination of the two proposed mechanisms. The simulations were carried out to check the levels of HilA, the factor regulating the virulence, as well as the levels of the intermediate components in the network, namely HilC and RtsA. The simulation results were used to check the consistency of various models and also to suggest the most probable mechanism of hilA regulation. The results of our study show that while most of the mathematical models are able to predict the virulence data, the models considering SirA to regulate through HilA and HilC fail to predict the levels of intermediate components, HilC and RtsA. Nevertheless, one of the models considering regulation of virulence by SirA via HilD was able to predict results comparable to the experimental data. In addition, combination of this model (regulation by SirA via HilD) with the model considering regulation by SirA through HilA and HilC, also predicted results consistent with experimental observations. Our conclusions were further validated by testing the stability of the results against

  3. Mechanisms of Sb(III) Photooxidation by the Excitation of Organic Fe(III) Complexes.

    Science.gov (United States)

    Kong, Linghao; He, Mengchang

    2016-07-05

    Organic Fe(III) complexes are widely distributed in the aqueous environment, which can efficiently generate free radicals under light illumination, playing a significant role in heavy metal speciation. However, the potential importance of the photooxidation of Sb(III) by organic Fe(III) complexes remains unclear. Therefore, the photooxidation mechanisms of Sb(III) were comprehensively investigated in Fe(III)-oxalate, Fe(III)-citrate and Fe(III)-fulvic acid (FA) solutions by kinetic measurements and modeling. Rapid photooxidation of Sb(III) was observed in an Fe(III)-oxalate solution over the pH range of 3 to 7. The addition of tert-butyl alcohol (TBA) as an ·OH scavenger quenched the Sb(III) oxidation, suggesting that ·OH is an important oxidant for Sb(III). However, the incomplete quenching of Sb(III) oxidation indicated the existence of other oxidants, presumably an Fe(IV) species in irradiated Fe(III)-oxalate solution. In acidic solutions, ·OH may be formed by the reaction of Fe(II)(C2O4) with H2O2, but a hypothetical Fe(IV) species may be generated by the reaction of Fe(II)(C2O4)2(2-) with H2O2 at higher pH. Kinetic modeling provides a quantitative explanation of the results. Evidence for the existence of ·OH and hypothetical Fe(IV) was also observed in an irradiated Fe(III)-citrate and Fe(III)-FA system. This study demonstrated an important pathway of Sb(III) oxidation in surface waters.

  4. The accretion history of dark matter halos III: A physical model for the concentration-mass relation

    CERN Document Server

    Correa, Camila A; Schaye, Joop; Duffy, Alan R

    2015-01-01

    We present a semi-analytic, physically motivated model for dark matter halo concentration as a function of halo mass and redshift. The semi-analytic model is intimately based on hierarchical structure formation. It uses an analytic model for the halo mass accretion history, based on extended Press Schechter (EPS) theory, and an empirical relation between concentration and an appropriate definition of formation time obtained through fits to the results of numerical simulations. The resulting concentration-mass relations are tested against the simulations and do not exhibit an upturn at high masses or high redshifts as claimed by recent works. Because our semi-analytic model is based on EPS theory, it can be applied to wide ranges in mass, redshift and cosmology. We predict a change of slope in the z=0 concentration-mass relation at a mass scale of $10^{11}\\rm{M}_{\\odot}$, that is caused by the varying power in the density perturbations. We provide best-fitting expressions of the $c-M$ relations as well as nume...

  5. Dark-ages reionization and galaxy formation simulation III: Modelling galaxy formation and the Epoch of Reionization

    CERN Document Server

    Mutch, Simon J; Poole, Gregory B; Angel, Paul W; Duffy, Alan R; Mesinger, Andrei; Wyithe, J Stuart B

    2015-01-01

    We introduce Meraxes, a new, purpose-built semi-analytic galaxy formation model designed for studying galaxy growth during reionization. Meraxes is the first model of its type to include a temporally- and spatially-coupled treatment of reionization and is built upon a custom (100 Mpc)$^3$ N-body simulation with high temporal and mass resolution, allowing us to resolve the galaxy and star formation physics relevant to early galaxy formation. Our fiducial model with supernova feedback reproduces the observed optical depth to electron scattering and evolution of the galaxy stellar mass function between $z$=5-7, predicting that a broad range of halo masses contribute to reionization. Using a constant escape fraction and global recombination rate, our model is unable to simultaneously match the observed ionizing emissivity at $z{\\lesssim}6$. However, the use of an evolving escape fraction of 0.05-0.1 at $z{\\sim}6$, increasing towards higher redshift, is able to satisfy these three constraints. We also demonstrate ...

  6. The Stagger-grid: A grid of 3D stellar atmosphere models - III. The relation to mixing length convection theory

    CERN Document Server

    Magic, Zazralt; Asplund, Martin

    2014-01-01

    We investigate the relation between 1D atmosphere models that rely on the mixing length theory and models based on full 3D radiative hydrodynamic (RHD) calculations to describe convection in the envelopes of late-type stars. The adiabatic entropy value of the deep convection zone, s_bot, and the entropy jump, {\\Delta}s, determined from the 3D RHD models, are matched with the mixing length parameter, {\\alpha}_MLT, from 1D hydrostatic atmosphere models with identical microphysics (opacities and equation-of-state). We also derive the mass mixing length, {\\alpha}_m, and the vertical correlation length of the vertical velocity, C[v_z,v_z], directly from the 3D hydrodynamical simulations of stellar subsurface convection. The calibrated mixing length parameter for the Sun is {\\alpha}_MLT (s_bot) = 1.98. For different stellar parameters, {\\alpha}_MLT varies systematically in the range of 1.7 - 2.4. In particular, {\\alpha}_MLT decreases towards higher effective temperature, lower surface gravity and higher metallicity...

  7. Comparative adsorption of Eu(III) and Am(III) on TPD.

    Science.gov (United States)

    Fan, Q H; Zhao, X L; Ma, X X; Yang, Y B; Wu, W S; Zheng, G D; Wang, D L

    2015-09-01

    Comparative adsorption behaviors of Eu(III) and Am(III) on thorium phosphate diphosphate (TPD), i.e., Th4(PO4)4P2O7, have been studied using a batch approach and surface complexation model (SCM) in this study. The results showed that Eu(III) and Am(III) adsorption increased to a large extent with the increase in TPD dose. Strong pH-dependence was observed in both Eu(III) and Am(III) adsorption processes, suggesting that inner-sphere complexes (ISCs) were possibly responsible for the adsorption of Eu(III) and Am(III). Meanwhile, the adsorption of Eu(III) and Am(III) decreased to a different extent with the increase in ion strength, which was possibly related to outer-sphere complexes and/or ion exchange. In the presence of fulvic acid (FA), the adsorption of Eu(III) and Am(III) showed high enhancement mainly due to the ternary surface complexes of TPD-FA-Eu(3+) and TPD-FA-Am(3+). The SCM showed that one ion exchange (≡S3Am/Eu) and two ISCs (≡(XO)2Am/EuNO3 and ≡(YO)2Am/EuNO3) seemed more reasonable to quantitatively describe the adsorption edges of both Eu(III) and Am(III). Our findings obviously showed that Eu(III) could be a good analogue to study actinide behaviors in practical terms. However, it should be kept in mind that there are still obvious differences between the characteristics of Eu(III) and Am(III) in some special cases, for instance, the complex ability with organic matter and adsorption affinity to a solid surface.

  8. CyberStorm III

    NARCIS (Netherlands)

    Luiijf, H.A.M.; et al

    2010-01-01

    Projectteam Cyber Storm III - De Verenigde Staten organiseerden de afgelopen jaren een reeks grootschalige ICT-crisisoefeningen met de naam Cyber Storm. Cyber Storm III is de derde oefening in de reeks. Het scenario van Cyber Storm III staat in het teken van grootschalige ICT-verstoringen, waarbij n

  9. Dark-ages reionization and galaxy formation simulation - III. Modelling galaxy formation and the epoch of reionization

    Science.gov (United States)

    Mutch, Simon J.; Geil, Paul M.; Poole, Gregory B.; Angel, Paul W.; Duffy, Alan R.; Mesinger, Andrei; Wyithe, J. Stuart B.

    2016-10-01

    We introduce MERAXES, a new, purpose-built semi-analytic galaxy formation model designed for studying galaxy growth during reionization. MERAXES is the first model of its type to include a temporally and spatially coupled treatment of reionization and is built upon a custom (100 Mpc)3 N-body simulation with high temporal and mass resolution, allowing us to resolve the galaxy and star formation physics relevant to early galaxy formation. Our fiducial model with supernova feedback reproduces the observed optical depth to electron scattering and evolution of the galaxy stellar mass function between z = 5 and 7, predicting that a broad range of halo masses contribute to reionization. Using a constant escape fraction and global recombination rate, our model is unable to simultaneously match the observed ionizing emissivity at z ≲ 6. However, the use of an evolving escape fraction of 0.05-0.1 at z ˜ 6, increasing towards higher redshift, is able to satisfy these three constraints. We also demonstrate that photoionization suppression of low-mass galaxy formation during reionization has only a small effect on the ionization history of the intergalactic medium. This lack of `self-regulation' arises due to the already efficient quenching of star formation by supernova feedback. It is only in models with gas supply-limited star formation that reionization feedback is effective at regulating galaxy growth. We similarly find that reionization has only a small effect on the stellar mass function, with no observationally detectable imprint at M* > 107.5 M⊙. However, patchy reionization has significant effects on individual galaxy masses, with variations of factors of 2-3 at z = 5 that correlate with environment.

  10. The accretion history of dark matter haloes - III. A physical model for the concentration-mass relation

    Science.gov (United States)

    Correa, Camila A.; Wyithe, J. Stuart B.; Schaye, Joop; Duffy, Alan R.

    2015-09-01

    We present a semi-analytic, physically motivated model for dark matter halo concentration as a function of halo mass and redshift. The semi-analytic model combines an analytic model for the halo mass accretion history (MAH), based on extended Press-Schechter (EPS) theory, with an empirical relation between concentration and formation time obtained through fits to the results of numerical simulations. Because the semi-analytic model is based on EPS theory, it can be applied to wide ranges in mass, redshift and cosmology. The resulting concentration-mass (c-M) relations are found to agree with the simulations, and because the model applies only to relaxed haloes, they do not exhibit the upturn at high masses or high redshifts found by some recent works. We predict a change of slope in the z ˜ 0 c-M relation at a mass-scale of 1011 M⊙. We find that this is due to the change in the functional form of the halo MAH, which goes from being dominated by an exponential (for high-mass haloes) to a power law (for low-mass haloes). During the latter phase, the core radius remains approximately constant, and the concentration grows due to the drop of the background density. We also analyse how the c-M relation predicted by this work affects the power produced by dark matter annihilation, finding that at z = 0 the power is two orders of magnitude lower than that obtained from extrapolating best-fitting c-M relations. We provide fits to the c-M relations as well as numerical routines to compute concentrations and MAHs.†

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-01-15

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

  12. The simulated features of heliospheric cosmic-ray modulation with a time-dependent drift model. III - General energy dependence

    Science.gov (United States)

    Potgieter, M. S.; Le Roux, J. A.

    1992-01-01

    The time-dependent cosmic-ray transport equation is solved numerically in an axially symmetric heliosphere. Gradient and curvature drifts are incorporated, together with an emulated wavy neutral sheet. This model is used to simulate heliospheric cosmic-ray modulation for the period 1985-1989 during which drifts are considered to be important. The general energy dependence of the modulation of Galactic protons is studied as predicted by the model for the energy range 1 MeV to 10 GeV. The corresponding instantaneous radial and latitudinal gradients are calculated, and it is found that, whereas the latitudinal gradients follow the trends in the waviness of the neutral sheet to a large extent for all energies, the radial gradients below about 200 MeV deviate from this general pattern. In particular, these gradients increase when the waviness decreases for the simulated period 1985-1987.3, after which they again follow the neutral sheet by increasing rapidly.

  13. Biotechnology and genetic engineering in the new drug development. Part III. Biocatalysis, metabolic engineering and molecular modelling.

    Science.gov (United States)

    Stryjewska, Agnieszka; Kiepura, Katarzyna; Librowski, Tadeusz; Lochyński, Stanisław

    2013-01-01

    Industrial biotechnology has been defined as the use and application of biotechnology for the sustainable processing and production of chemicals, materials and fuels. It makes use of biocatalysts such as microbial communities, whole-cell microorganisms or purified enzymes. In the review these processes are described. Drug design is an iterative process which begins when a chemist identifies a compound that displays an interesting biological profile and ends when both the activity profile and the chemical synthesis of the new chemical entity are optimized. Traditional approaches to drug discovery rely on a stepwise synthesis and screening program for large numbers of compounds to optimize activity profiles. Over the past ten to twenty years, scientists have used computer models of new chemical entities to help define activity profiles, geometries and relativities. This article introduces inter alia the concepts of molecular modelling and contains references for further reading.

  14. DECOVALEX III PROJECT. Thermal-Chemical Modeling of the Yucca Mountain Project Drift Scale Test. Task 2D Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Datta, Robin N. [Bechtel SAlC Company, Las Vegas (US)] (comp.)

    2005-02-15

    Task 2D concerns numerical simulation of the coupled THC modeling of the DST test at Yucca mountain, with given results for geologic, thermal, hydrologic, mineralogic and petrologic characterization, as-built configuration of the test block of DST, including locations of various sensors and measuring instruments and the plans for heating and cooling, including expected heater powers at various times, and compared with geochemical measurements performed on gas, water, and mineral samples collected from the DST. Two teams of DOE/LBNL (USA) and JNC (Japan) participated the task with different approaches. The LBNL model represented the fractures and rock matrix by a dual-continuum concept, with the mineral-water-gas reactions treated by primarily kinetic and a few equilibrium reactions. The JNC model represented the fractures and matrix as a single effective continuum, with equilibrium mineral-water reactions controlling the chemical evolution (as well as considering aqueous species transport). The JNC team performed the coupled THC simulation of the Yucca Mountain Drift Scale Test by the coupled THM code 'THAMES', mass transport code 'Dtransu' and geochemical code 'PHREEQE' under coupling system code 'COUPLYS'. The LBNL team simulated the THC processes include coupling between heat, water, and vapor flow; aqueous and gaseous species transport; kinetic and equilibrium mineral-water reactions; and feedback of mineral precipitation/dissolution on porosity, permeability, and capillary pressure, with the FDM code TOUGHREACT V3.0. In general, both models capture the temperature evolution in the rock fairly well, although the JNC model yielded a closer match to the initial temperature rise in the rock, probably due to the better site-specific thermal data. Both models showed the contrasting solubility effects of increasing temperature on calcite and silica solubility; yet the dual continuum approach better represented the effects of

  15. a Detailed Account of Alain CONNES’ Version of the Standard Model in Non-Commutative Differential Geometry III

    Science.gov (United States)

    Kastler, Daniel

    We describe in detail Alain Connes’ last presentation of the (classical level of the) standard model in noncommutative differential geometry, now free of the cumbersome adynamical fields which parasited the initial treatment. Accessorily, the theory is presented in a more transparent way by systematic use of the skew tensor-product structure, and of 2×2 matrices with 2×2 matrix-entries instead of the previous 4×4 matrices.

  16. A quantitative mechanistic description of Ni, Zn and Ca sorption on Na-Montmorillonite. Part III: Modelling

    Energy Technology Data Exchange (ETDEWEB)

    Baeyens, B.; Bradbury, M.H. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1995-07-01

    Titration and sorption measurements, carried out under a wide variety of conditions on Na-montmorillonite, were examined in terms of cation exchange and surface complexation mechanisms. A computer code called MINSORB was developed and used throughout this work. This code allowed the uptake of radionuclides by both mechanisms to be calculated simultaneously; also taking into account competitive reactions from other cations present. A stepwise iterative fitting/modelling procedure is described. For the case of Na-montmorillonite it is demonstrated that an electrostatic term in the surface complexation model is not required. A basic data set comprising of site capacities and protonation/deprotonation constants was defined, which was valid for all surface complexation sorption reactions. The main study was carried out with Ni, but impurity cations present in the system, particularly Zn, had to be examined in addition due to their competitive effects on Ni sorption. The surface complexation behaviour of Ni and Zn was investigated in detail to give intrinsic surface complexation constants on two of the {identical_to}SOH type sites included in the model. The sorption of Mg, Ca and Mn is also considered, though in less detail, and estimated surface complexation constants for these nuclides are presented. Cation exchange was included in all of the calculations. Measured selectivity coefficients for Ni-Na, Zn-Na and Ca-Na exchange reactions are given. The model, with the derived parameters, allowed all the data from titration measurements through sorption edges to sorption isotherms to be calculated. (author) 31 figs., 9 tabs., refs.

  17. Holling's "hungry mantid" model for the invertebrate functional response considered as a Markov process. III. Stable satiation distribution.

    Science.gov (United States)

    Heijmans, H J

    1984-01-01

    In this paper, we study an analytical model describing predatory behaviour. It is assumed that the parameter describing the predator's behaviour is its satiation. Using semigroup methods and compactness arguments we prove that a stable satiation distribution is reached if t----infinity. Furthermore, using a Trotter-Kato theorem we justify the transition to the much simpler problem that is obtained if the prey biomass tends to zero.

  18. Numerical modelling of the lobes of radio galaxies in cluster environments - III. Powerful relativistic and non-relativistic jets

    Science.gov (United States)

    English, W.; Hardcastle, M. J.; Krause, M. G. H.

    2016-09-01

    We present results from two suites of simulations of powerful radio galaxies in poor cluster environments, with a focus on the formation and evolution of the radio lobes. One suite of models uses relativistic hydrodynamics and the other relativistic magnetohydrodynamics; both are set up to cover a range of jet powers and velocities. The dynamics of the lobes are shown to be in good agreement with analytical models and with previous numerical models, confirming in the relativistic regime that the observed widths of radio lobes may be explained if they are driven by very light jets. The ratio of energy stored in the radio lobes to that put into the intracluster gas is seen to be the same regardless of jet power, jet velocity or simulation type, suggesting that we have a robust understanding of the work done on the ambient gas by this type of radio source. For the most powerful jets, we at times find magnetic field amplification by up to a factor of 2 in energy, but mostly the magnetic energy in the lobes is consistent with the magnetic energy injected. We confirm our earlier result that for jets with a toroidally injected magnetic field, the field in the lobes is predominantly aligned with the jet axis once the lobes are well developed, and that this leads to radio flux anisotropies of up to a factor of about two for mature sources. We reproduce the relationship between 151 MHz luminosity and jet power determined analytically in the literature.

  19. Chronic graft-versus-host disease in the rat radiation chimera. III. Immunology and immunopathology in rapidly induced models

    Energy Technology Data Exchange (ETDEWEB)

    Beschorner, W.E.; Tutschka, P.J.; Santos, G.W.

    1983-03-01

    Although chronic graft-versus-host disease (GVHD) frequently develops in the long-term rat radiation chimera, we present three additional models in which a histologically similar disease is rapidly induced. These include adoptive transfer of spleen and bone marrow from rats with spontaneous chronic GVHD into lethally irradiated rats of the primary host strain; sublethal irradiation of stable chimeras followed by a booster transplant; and transfer of spleen cells of chimeras recovering from acute GVHD into second-party (primary recipient strain) or third-party hosts. Some immunopathologic and immune abnormalities associated with spontaneous chronic GVHD were not observed in one or more of the induced models. Thus, IgM deposition in the skin, antinuclear antibodies, and vasculitis appear to be paraphenomena. On the other hand, lymphoid hypocellularity of the thymic medulla, immaturity of splenic follicles, and nonspecific suppressor cells were consistently present in the long term chimeras, and in all models. These abnormalities therefore may be pathogenetically important, or closely related to the development of chronic GVHD.

  20. Numerical modelling of the lobes of radio galaxies in cluster environments - III. Powerful relativistic and nonrelativistic jets

    CERN Document Server

    English, William; Krause, Martin G H

    2016-01-01

    We present results from two suites of simulations of powerful radio galaxies in poor cluster environments, with a focus on the formation and evolution of the radio lobes. One suite of models uses relativistic hydrodynamics and the other relativistic magnetohydrodynamics; both are set up to cover a range of jet powers and velocities. The dynamics of the lobes are shown to be in good agreement with analytical models and with previous numerical models, confirming in the relativistic regime that the observed widths of radio lobes may be explained if they are driven by very light jets. The ratio of energy stored in the radio lobes to that put into the intracluster gas is seen to be the same regardless of jet power, jet velocity or simulation type, suggesting that we have a robust understanding of the work done on the ambient gas by this type of radio source. For the most powerful jets we at times find magnetic field amplification by up to a factor of two in energy, but mostly the magnetic energy in the lobes is co...

  1. The Roles of RNA Polymerase I and III Subunits Polr1c and Polr1d in Craniofacial Development and in Zebrafish Models of Treacher Collins Syndrome.

    Science.gov (United States)

    Noack Watt, Kristin E; Achilleos, Annita; Neben, Cynthia L; Merrill, Amy E; Trainor, Paul A

    2016-07-01

    Ribosome biogenesis is a global process required for growth and proliferation of all cells, yet perturbation of ribosome biogenesis during human development often leads to tissue-specific defects termed ribosomopathies. Transcription of the ribosomal RNAs (rRNAs) by RNA polymerases (Pol) I and III, is considered a rate limiting step of ribosome biogenesis and mutations in the genes coding for RNA Pol I and III subunits, POLR1C and POLR1D cause Treacher Collins syndrome, a rare congenital craniofacial disorder. Our understanding of the functions of individual RNA polymerase subunits, however, remains poor. We discovered that polr1c and polr1d are dynamically expressed during zebrafish embryonic development, particularly in craniofacial tissues. Consistent with this pattern of activity, polr1c and polr1d homozygous mutant zebrafish exhibit cartilage hypoplasia and cranioskeletal anomalies characteristic of humans with Treacher Collins syndrome. Mechanistically, we discovered that polr1c and polr1d loss-of-function results in deficient ribosome biogenesis, Tp53-dependent neuroepithelial cell death and a deficiency of migrating neural crest cells, which are the primary progenitors of the craniofacial skeleton. More importantly, we show that genetic inhibition of tp53 can suppress neuroepithelial cell death and ameliorate the skeletal anomalies in polr1c and polr1d mutants, providing a potential avenue to prevent the pathogenesis of Treacher Collins syndrome. Our work therefore has uncovered tissue-specific roles for polr1c and polr1d in rRNA transcription, ribosome biogenesis, and neural crest and craniofacial development during embryogenesis. Furthermore, we have established polr1c and polr1d mutant zebrafish as models of Treacher Collins syndrome together with a unifying mechanism underlying its pathogenesis and possible prevention.

  2. The Roles of RNA Polymerase I and III Subunits Polr1c and Polr1d in Craniofacial Development and in Zebrafish Models of Treacher Collins Syndrome.

    Directory of Open Access Journals (Sweden)

    Kristin E Noack Watt

    2016-07-01

    Full Text Available Ribosome biogenesis is a global process required for growth and proliferation of all cells, yet perturbation of ribosome biogenesis during human development often leads to tissue-specific defects termed ribosomopathies. Transcription of the ribosomal RNAs (rRNAs by RNA polymerases (Pol I and III, is considered a rate limiting step of ribosome biogenesis and mutations in the genes coding for RNA Pol I and III subunits, POLR1C and POLR1D cause Treacher Collins syndrome, a rare congenital craniofacial disorder. Our understanding of the functions of individual RNA polymerase subunits, however, remains poor. We discovered that polr1c and polr1d are dynamically expressed during zebrafish embryonic development, particularly in craniofacial tissues. Consistent with this pattern of activity, polr1c and polr1d homozygous mutant zebrafish exhibit cartilage hypoplasia and cranioskeletal anomalies characteristic of humans with Treacher Collins syndrome. Mechanistically, we discovered that polr1c and polr1d loss-of-function results in deficient ribosome biogenesis, Tp53-dependent neuroepithelial cell death and a deficiency of migrating neural crest cells, which are the primary progenitors of the craniofacial skeleton. More importantly, we show that genetic inhibition of tp53 can suppress neuroepithelial cell death and ameliorate the skeletal anomalies in polr1c and polr1d mutants, providing a potential avenue to prevent the pathogenesis of Treacher Collins syndrome. Our work therefore has uncovered tissue-specific roles for polr1c and polr1d in rRNA transcription, ribosome biogenesis, and neural crest and craniofacial development during embryogenesis. Furthermore, we have established polr1c and polr1d mutant zebrafish as models of Treacher Collins syndrome together with a unifying mechanism underlying its pathogenesis and possible prevention.

  3. Global Positioning System III (GPS III)

    Science.gov (United States)

    2015-12-01

    Military Operations in Urban Terrain; Defense-Wide Mission Support; Air Mobility; and Space Launch Orbital Support. For military users, the GPS III...program provides Precise Positioning Service (PPS) to military operations and force enhancement. It also provides increased anti-jam power to the earth ...to be modified . On January 31, 2016, USD(AT&L) signed the GPS III revised APB. This Change 1 to the APB was due to both cost and schedule breaches

  4. The Stagger-grid: A grid of 3D stellar atmosphere models. III. The relation to mixing length convection theory

    Science.gov (United States)

    Magic, Z.; Weiss, A.; Asplund, M.

    2015-01-01

    Aims: We investigate the relation between 1D atmosphere models that rely on the mixing length theory and models based on full 3D radiative hydrodynamic (RHD) calculations to describe convection in the envelopes of late-type stars. Methods: The adiabatic entropy value of the deep convection zone, sbot, and the entropy jump, Δs, determined from the 3D RHD models, were matched with the mixing length parameter, αMLT, from 1D hydrostatic atmosphere models with identical microphysics (opacities and equation-of-state). We also derived the mass mixing length parameter, αm, and the vertical correlation length of the vertical velocity, C[vz,vz], directly from the 3D hydrodynamical simulations of stellar subsurface convection. Results: The calibrated mixing length parameter for the Sun is α๏MLT (Sbot) = 1.98. . For different stellar parameters, αMLT varies systematically in the range of 1.7 - 2.4. In particular, αMLT decreases towards higher effective temperature, lower surface gravity and higher metallicity. We find equivalent results for α๏MLT (ΔS). In addition, we find a tight correlation between the mixing length parameter and the inverse entropy jump. We derive an analytical expression from the hydrodynamic mean-field equations that motivates the relation to the mass mixing length parameter, αm, and find that it qualitatively shows a similar variation with stellar parameter (between 1.6 and 2.4) with the solar value of α๏m = 1.83.. The vertical correlation length scaled with the pressure scale height yields 1.71 for the Sun, but only displays a small systematic variation with stellar parameters, the correlation length slightly increases with Teff. Conclusions: We derive mixing length parameters for various stellar parameters that can be used to replace a constant value. Within any convective envelope, αm and related quantities vary strongly. Our results will help to replace a constant αMLT. Appendices are available in electronic form at http

  5. Calibrated multi-subband Monte Carlo modeling of tunnel-FETs in silicon and III-V channel materials

    Science.gov (United States)

    Revelant, A.; Palestri, P.; Osgnach, P.; Selmi, L.

    2013-10-01

    We present a semiclassical model for Tunnel-FET (TFET) devices capable to describe band-to-band tunneling (BtBT) as well as far from equilibrium transport of the generated carriers. BtBT generation is implemented as an add-on into an existing multi-subband Monte Carlo (MSMC) transport simulator that accounts as well for the effects typical to alternative channel materials and high-κ dielectrics. A simple but accurate correction for the calculation of the BtBT generation rate to account for carrier confinement in the subbands is proposed and verified by comparison with full 2D quantum calculation.

  6. The dark matter halo shape of edge-on disk galaxies - III. Modelling the HI observations: results

    CERN Document Server

    O'Brien, J C; van der Kruit, P C

    2010-01-01

    This is the third paper in a series in which we attempt to put constraints on the flattening of dark halos in disk galaxies. For this purpose we need to analyse the observed XV diagrams in edge-on galaxies to accurately measure the radial HI surface density, the rotation curve and the HI velocity dispersion. We present the results of the modelling of HI observations of 8 HI-rich, late-type, edge-on galaxies. In all of these we find differential rotation. Most systems display HI velocity dispersions of 6.5 to 7.5 km s$^{-1}$ and all except one show radial structure. There is an increase in the mean HI velocity dispersion with maximum rotation velocity, at least up to 120 km s$^{-1}$. Next we analyse the observations to derive the radial variation of the thickness (flaring) of the HI layer. We find that with the exception of the asymmetric IC5052, all of the galaxies in our sample are good candidates for 3D mass modelling to measure the dark halo shape. The flaring profiles are symmetric and have a common shape...

  7. Nonlinear model-based control of the Czochralski process III: Proper choice of manipulated variables and controller parameter scheduling

    Science.gov (United States)

    Neubert, M.; Winkler, J.

    2012-12-01

    This contribution continues an article series [1,2] about the nonlinear model-based control of the Czochralski crystal growth process. The key idea of the presented approach is to use a sophisticated combination of nonlinear model-based and conventional (linear) PI controllers for tracking of both, crystal radius and growth rate. Using heater power and pulling speed as manipulated variables several controller structures are possible. The present part tries to systematize the properties of the materials to be grown in order to get unambiguous decision criteria for a most profitable choice of the controller structure. For this purpose a material specific constant M called interface mobility and a more process specific constant S called system response number are introduced. While the first one summarizes important material properties like thermal conductivity and latent heat the latter one characterizes the process by evaluating the average axial thermal gradients at the phase boundary and the actual growth rate at which the crystal is grown. Furthermore these characteristic numbers are useful for establishing a scheduling strategy for the PI controller parameters in order to improve the controller performance. Finally, both numbers give a better understanding of the general thermal system dynamics of the Czochralski technique.

  8. Spectroscopic, biological, and molecular modeling studies on the interactions of [Fe(III)-meloxicam] with G-quadruplex DNA and investigation of its release from bovine serum albumin (BSA) nanoparticles.

    Science.gov (United States)

    Ebrahimi, Malihe; Khayamian, Taghi; Hadadzadeh, Hassan; Sayed Tabatabaei, Badraldin Ebrahim; Jannesari, Zahra; Khaksar, Ghazale

    2015-01-01

    The guanine-rich sequence, specifically in DNA, telomeric DNA, is a potential target of anticancer drugs. In this work, a mononuclear Fe(III) complex containing two meloxicam ligands was synthesized as a G-quadruplex stabilizer. The interaction between the Fe(III) complex and G-quadruplex with sequence of 5'-G3(T2AG3)3-3' (HTG21) was investigated using spectroscopic methods, molecular modeling, and polymerase chain reaction (PCR) assays. The spectroscopic methods of UV-vis, fluorescence, and circular dichroism showed that the metal complex can effectively induce and stabilize G-quadruplex structure in the G-rich 21-mer sequence. Also, the binding constant between the Fe(III) complex and G-quadruplex was measured by these methods and it was found to be 4.53(±0.30) × 10(5) M(-1)). The PCR stop assay indicated that the Fe(III) complex inhibits DNA amplification. The cell viability assay showed that the complex has significant antitumor activities against Hela cells. According to the UV-vis results, the interaction of the Fe(III) complex with duplex DNA is an order of magnitude lower than G-quadruplex. Furthermore, the release of the complex incorporated in bovine serum albumin nanoparticles was also investigated in physiological conditions. The release of the complex followed a bi-phasic release pattern with high and low releasing rates at the first and second phases, respectively. Also, in order to obtain the binding mode of the Fe(III) complex with G-quadruplex, molecular modeling was performed. The molecular docking results showed that the Fe(III) complex was docked to the end-stacked of the G-quadruplex with a π-π interaction, created between the meloxicam ligand and the guanine bases of the G-quadruplex.

  9. A Model of Numerical Calculation of Conductivity for III-V MBE Epilayers Using a Hall Device

    Directory of Open Access Journals (Sweden)

    Andrzej Wolkenberg

    2013-01-01

    Full Text Available An electrical conduction versus temperature model using a Hall device was developed. In the case of InAs, InGaAs, and GaAs MBE epilayers, the prediction agrees well with the experimental results. Herein, we explain here how these calculated fractions of total conductivity describe the measured values. The method allows for the calculation of the carrier concentration and mobility of each component of a multicarrier system. The extracted concentrations are used to characterise the different components of charge transport in the active layer. The conductance values G [S] of these components of charge transport were obtained. Also the scattering events for the investigated samples are presented. The analysis of the experimental results for three semiconductor compositions and different concentrations demonstrates the utility of our method in comparing the conductance of each component of the multilayered system as a function of temperature.

  10. Verification Test of the SURF and SURFplus Models in xRage: Part III Affect of Mesh Alignment

    Energy Technology Data Exchange (ETDEWEB)

    Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-08-15

    The previous studies used an underdriven detonation wave in 1-dimension (steady ZND reaction zone profile followed by a scale-invariant rarefaction wave) for PBX 9502 as a verification test of the implementation of the SURF and SURFplus models in the xRage code. Since the SURF rate is a function of the lead shock pressure, the question arises as to the effect on accuracy of variations in the detected shock pressure due to the alignment of the shock front with the mesh. To study the effect of mesh alignment we simulate a cylindrically diverging detonation wave using a planar 2-D mesh. The leading issue is the magnitude of azimuthal asymmetries in the numerical solution. The 2-D test case does not have an exact analytic solution. To quantify the accuracy, the 2-D solution along rays through the origin are compared to a highly resolved 1-D simulation in cylindrical geometry.

  11. Integrated Sensing & Controls for Coal Gasification - Development of Model-Based Controls for GE's Gasifier & Syngas Cooler. Topical Rerport for Phase III

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Aditya

    2011-02-17

    This Topical Report for the final Phase III of the program summarizes the results from the Task 3 of the program. In this task, the separately designed extended Kalman Filter (EKF) and model predictive controls (MPC) with ideal sensing, developed in Phase II, were integrated to achieve the overall sensing and control system for the gasification section of an IGCC plant. The EKF and MPC algorithms were updated and re-tuned to achieve closed-loop system stability as well as good steady-state and transient control response. In particular, the performance of the integrated EKF and MPC solution was tested extensively through multiple simulation studies to achieve improved steady-state as well as transient performance, with coal as well as coal-petcoke blended fuel, in the presence of unknown modeling errors as well as sensor errors (noise and bias). The simulation studies demonstrated significant improvements in steady state and transient operation performance, similar to that achieved by MPC with ideal sensors in Phase II of the program.

  12. Presentation of the EURODELTA III intercomparison exercise - evaluation of the chemistry transport models' performance on criteria pollutants and joint analysis with meteorology

    Science.gov (United States)

    Bessagnet, Bertrand; Pirovano, Guido; Mircea, Mihaela; Cuvelier, Cornelius; Aulinger, Armin; Calori, Giuseppe; Ciarelli, Giancarlo; Manders, Astrid; Stern, Rainer; Tsyro, Svetlana; García Vivanco, Marta; Thunis, Philippe; Pay, Maria-Teresa; Colette, Augustin; Couvidat, Florian; Meleux, Frédérik; Rouïl, Laurence; Ung, Anthony; Aksoyoglu, Sebnem; María Baldasano, José; Bieser, Johannes; Briganti, Gino; Cappelletti, Andrea; D'Isidoro, Massimo; Finardi, Sandro; Kranenburg, Richard; Silibello, Camillo; Carnevale, Claudio; Aas, Wenche; Dupont, Jean-Charles; Fagerli, Hilde; Gonzalez, Lucia; Menut, Laurent; Prévôt, André S. H.; Roberts, Pete; White, Les

    2016-10-01

    The EURODELTA III exercise has facilitated a comprehensive intercomparison and evaluation of chemistry transport model performances. Participating models performed calculations for four 1-month periods in different seasons in the years 2006 to 2009, allowing the influence of different meteorological conditions on model performances to be evaluated. The exercise was performed with strict requirements for the input data, with few exceptions. As a consequence, most of differences in the outputs will be attributed to the differences in model formulations of chemical and physical processes. The models were evaluated mainly for background rural stations in Europe. The performance was assessed in terms of bias, root mean square error and correlation with respect to the concentrations of air pollutants (NO2, O3, SO2, PM10 and PM2.5), as well as key meteorological variables. Though most of meteorological parameters were prescribed, some variables like the planetary boundary layer (PBL) height and the vertical diffusion coefficient were derived in the model preprocessors and can partly explain the spread in model results. In general, the daytime PBL height is underestimated by all models. The largest variability of predicted PBL is observed over the ocean and seas. For ozone, this study shows the importance of proper boundary conditions for accurate model calculations and then on the regime of the gas and particle chemistry. The models show similar and quite good performance for nitrogen dioxide, whereas they struggle to accurately reproduce measured sulfur dioxide concentrations (for which the agreement with observations is the poorest). In general, the models provide a close-to-observations map of particulate matter (PM2.5 and PM10) concentrations over Europe rather with correlations in the range 0.4-0.7 and a systematic underestimation reaching -10 µg m-3 for PM10. The highest concentrations are much more underestimated, particularly in wintertime. Further evaluation of

  13. Stellar masses of SDSS-III BOSS galaxies at z~0.5 and constraints to galaxy formation models

    CERN Document Server

    Maraston, Claudia; Henriques, Bruno M; Thomas, Daniel; Wake, David; Brownstein, Joel R; Capozzi, Diego; Bundy, Kevin; Skibba, Ramin A; Beifiori, Alessandra; Nichol, Robert C; Edmondson, Edd; Schneider, Don P; Chen, Yanmei; Masters, Karen L; Steele, Oliver; Bolton, Adam S; York, Donald G; Bizyaev, Dmitry; Brewington, Howard; Malanushenko, Elena; Malanushenko, Viktor; Snedden, Stephanie; Oravetz, Daniel; Pan, Kaike; Shelden, Alaina; Simmons, Audrey

    2012-01-01

    We calculate stellar masses for ~400,000 massive luminous galaxies at redshift ~0.2-0.7 using the first two years of data from the Baryon Oscillation Spectroscopic Survey (BOSS). Stellar masses are obtained by fitting model spectral energy distributions to u,g,r,i,z magnitudes. Accurate BOSS spectroscopic redshifts are used to constrain the fits. We find that the distribution of stellar masses in BOSS is narrow (Delta log M ~0.5 dex) and peaks at about log M/M_sun ~ 11.3 (for a Kroupa initial stellar mass function), and that the mass sampling is uniform over the redshift range 0.2 to 0.6, in agreement with the intended BOSS target selection. The galaxy masses probed by BOSS extend over ~ 10^{12} M_{sun}, providing unprecedented measurements of the high-mass end of the galaxy mass function. We find that the galaxy number density above ~ 2.5 10^{11} M_{sun} agrees with previous determinations within 2sigma, but there is a slight offset towards lower number densities in BOSS. This alleviates a tension between th...

  14. An interferometric study of the Fomalhaut inner debris disk. III. Detailed models of the exozodiacal disk and its origin

    CERN Document Server

    Lebreton, J; Augereau, J -C; Absil, O; Mennesson, B; Kama, M; Dominik, C; Bonsor, A; Vandeportal, J; Beust, H; Defrère, D; Ertel, S; Faramaz, V; Hinz, P; Kral, Q; Lagrange, A -M; Liu, W; Thébault, P

    2013-01-01

    [Abridged] Debris disks are extrasolar analogs to the solar system planetesimal belts. The star Fomalhaut harbors a cold debris belt at 140 AU as well as evidence of a warm dust component, which is suspected of being a bright analog to the solar system's zodiacal dust. Interferometric observations obtained with the VLTI and the KIN have identified near- and mid-infrared excesses attributed to hot and warm exozodiacal dust in the inner few AU of the star. We performed parametric modeling of the exozodiacal disk using the GRaTeR radiative transfer code to reproduce the interferometric data, complemented by mid- to far-infrared measurements. A detailed treatment of sublimation temperatures was introduced to explore the hot population at the sublimation rim. We then used an analytical approach to successively testing several source mechanisms. A good fit to the data is found by two distinct dust populations: (1) very small, hence unbound, hot dust grains confined in a narrow region at the sublimation rim of carbo...

  15. XMM-Newton observations of OY Car III: OM light curve modelling, X-ray timing and spectral studies

    CERN Document Server

    Hakala, P; Hakala, Pasi; Ramsay, Gavin

    2003-01-01

    We revisit the XMM-Newton observations of the dwarf nova OY Car taken in July 2000 which occured shortly after an outburst. Ramsay et al (2001a) found a prominent energy dependent modulation at a period of 2240 sec: this modulation was only seen for app. 1/3 of the observation duration. In our new analysis, we examine this time interval in greater detail. In addition to the 2240 sec period we find evidence for other periods, the most prominent being near 3500 sec. Both these modulations are most likely due to changes in photoelectric absorption over this period: this is supported by phase-resolved spectroscopy. This may indicate the presence of matter above the accretion disc or a presence of a magnetic accretion curtain. In this case the 2240 sec period could represent a spin period of the white dwarf and the 3500 sec period a beat period between the spin and orbital periods. We also model the B band and UV eclipse profiles and light curves using a new technique to map the spatial extent of the accretion dis...

  16. Measurements and Modeling of III-V Solar Cells at High Temperatures up to 400 degrees C

    Energy Technology Data Exchange (ETDEWEB)

    Perl, Emmett E.; Simon, John; Geisz, John F.; Lee, Minjoo Larry; Friedman, Daniel J.; Steiner, Myles A.

    2016-09-01

    In this paper, we study the performance of 2.0 eV Al0.12Ga0.39In0.49P and 1.4 eV GaAs solar cells over a temperature range of 25-400 degrees C. The temperature-dependent J01 and J02 dark currents are extracted by fitting current-voltage measurements to a two-diode model. We find that the intrinsic carrier concentration ni dominates the temperature dependence of the dark currents, open-circuit voltage, and cell efficiency. To study the impact of temperature on the photocurrent and bandgap of the solar cells, we measure the quantum efficiency and illuminated current-voltage characteristics of the devices up to 400 degrees C. As the temperature is increased, we observe no degradation to the internal quantum efficiency and a decrease in the bandgap. These two factors drive an increase in the short-circuit current density at high temperatures. Finally, we measure the devices at concentrations ranging from ~30 to 1500 suns and observe n = 1 recombination characteristics across the entire temperature range. These findings should be a valuable guide to the design of any system that requires high-temperature solar cell operation.

  17. Radiation thermo-chemical models of protoplanetary discs. III. Impact of inner rims on Spectral Energy Distributions

    CERN Document Server

    Thi, Wing-Fai; Kamp, Inga

    2010-01-01

    We study the hydrostatic density structure of the inner disc rim around HerbigAe stars using the thermo-chemical hydrostatic code ProDiMo. We compare the Spectral Energy Distributions (SEDs) and images from our hydrostatic disc models to that from prescribed density structure discs. The 2D continuum radiative transfer in ProDiMo includes isotropic scattering. The dust temperature is set by the condition of radiative equilibrium. In the thermal-decoupled case the gas temperature is governed by the balance between various heating and cooling processes. The gas and dust interact thermally via photoelectrons, radiatively, and via gas accommodation on grain surfaces. As a result, the gas is much hotter than in the thermo-coupled case, where the gas and dust temperatures are equal, reaching a few thousands K in the upper disc layers and making the inner rim higher. A physically motivated density drop at the inner radius ("soft-edge") results in rounded inner rims, which appear ring-like in near-infrared images. The...

  18. Industrial Sector Technology Use Model (ISTUM): industrial energy use in the United States, 1974-2000. Volume 1. Primary model documentation. Book 1: Chapters I, II, and III

    Energy Technology Data Exchange (ETDEWEB)

    Bohn, R.E.; Herod, J.S.

    1978-06-19

    The model is designed to predict the commercial-market penetration of various energy technologies in the industrial sector out to the year 2000. The model represents the refinement and further development of the Industrial Sector Model developed for the Market Oriented Program Planning Study task force in 1977. The model assesses the comparative economic competitiveness of each technology and then uses these assessments to project each technology's anticipated market penetration. The introductory chapter provides logic and special terminology information of the model. The next sections deal with the input requirements and a discussion of the solution of the model.

  19. Metallothionein (MT)-III

    DEFF Research Database (Denmark)

    Carrasco, J; Giralt, M; Molinero, A

    1999-01-01

    Metallothionein-III is a low molecular weight, heavy-metal binding protein expressed mainly in the central nervous system. First identified as a growth inhibitory factor (GIF) of rat cortical neurons in vitro, it has subsequently been shown to be a member of the metallothionein (MT) gene family...... and renamed as MT-III. In this study we have raised polyclonal antibodies in rabbits against recombinant rat MT-III (rMT-III). The sera obtained reacted specifically against recombinant zinc-and cadmium-saturated rMT-III, and did not cross-react with native rat MT-I and MT-II purified from the liver of zinc...... injected rats. The specificity of the antibody was also demonstrated in immunocytochemical studies by the elimination of the immunostaining by preincubation of the antibody with brain (but not liver) extracts, and by the results obtained in MT-III null mice. The antibody was used to characterize...

  20. CARI III Inhibits Tumor Growth in a Melanoma-Bearing Mouse Model through Induction of G0/G1 Cell Cycle Arrest

    Directory of Open Access Journals (Sweden)

    Hye-Jin Park

    2014-09-01

    Full Text Available Mushroom-derived natural products have been used to prevent or treat cancer for millennia. In this study, we evaluated the anticancer effects of CARI (Cell Activation Research Institute III, which consists of a blend of mushroom mycelia from Phellinus linteus grown on germinated brown rice, Inonotus obliquus grown on germinated brown rice, Antrodia camphorata grown on germinated brown rice and Ganoderma lucidum. Here, we showed that CARI III exerted anti-cancer activity, which is comparable to Dox against melanoma in vivo. B16F10 cells were intraperitoneally injected into C57BL6 mice to develop solid intra-abdominal tumors. Three hundred milligrams of the CARI III/kg/day p.o. regimen reduced tumor weight, comparable to the doxorubicin (Dox-treated group. An increase in life span (ILS% = 50.88% was observed in the CARI III-administered group, compared to the tumor control group. CARI III demonstrates anti-proliferative activity against B16F10 melanoma cells through inducing G0/G1 cell cycle arrest. CARI III inhibits the expression of cyclin D1, CDK4 and CDK2 and induces p21. Therefore, CARI III could be a potential chemopreventive supplement to melanoma patients.

  1. DECOVALEX III PROJECT. Thermal-Mechanical Modeling of the Yucca Mountain Project Drift Scale Test. Task 2B/2C Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Datta, Robin N. [Bechtel SAlC Company, Las Vegas (US)] (comp.)

    2005-02-15

    , ENRESA and NRC teams. All teams discretized the DST test area into two-dimensional vertical cross sections through the center of the heated drift and derived material properties suitable for their respective modeling approaches using the site testing data from Yucca Mountain project reports. The generally good agreement between simulated and measured temperature, displacements, and changes in air permeability shows that the numerical models and underlying conceptual models are adequate for simulating coupled THM processes at the DST. From the analyses and discussions presented, the following specific conclusions were drawn: i) A continuum model approach is adequate for simulating relevant coupled THM processes at the DST; ii) TM-induced rock deformations are generally well simulated using an elastic model, although some individual displacements appear to be captured using an elasto-plastic model; iii) The highest potential for inelastic deformation in the form of fracture shear slip occurs near the drift wall and in a zone of thermal stress decrease located more than 15 m above the heated drift and iv) Despite potential shear slip along fractures, fracture closure/opening caused by change in normal stress across fractures is the dominant mechanism for TM-induced changes in intrinsic fracture permeability, whereas fracture shear dilation appears to be less significant at the DST. This conclusion indicates that TM-induced changes in permeability at the DST, which are within one order of magnitude, tend to be reversible.

  2. Sirtuin and pan-class I/II deacetylase (DAC) inhibition is synergistic in preclinical models and clinical studies of lymphoma.

    Science.gov (United States)

    Amengual, Jennifer E; Clark-Garvey, Sean; Kalac, Matko; Scotto, Luigi; Marchi, Enrica; Neylon, Ellen; Johannet, Paul; Wei, Ying; Zain, Jasmine; O'Connor, Owen A

    2013-09-19

    Understanding the molecular pathogenesis of lymphoma has led to paradigm-changing treatment opportunities. One example involves tailoring specific agents based on the cell of origin in aggressive lymphomas. Germinal center (GC)-derived diffuse large B-cell lymphoma (DLBCL) is known to be driven by an addiction to Bcl6, whereas the activated B-cell (ABC) subtype is driven by nuclear factor κB. In the GC subtype, there is a critical inverse relationship between Bcl6 and p53, the functional status of which is linked to each transcription factor's degree of acetylation. Deacetylation of Bcl6 is required for its transcriptional repressor effects allowing for the oncogene to drive lymphomagenesis. Conversely, acetylation of p53 is activating when class III deacetylases (DACs), or sirtuins, are inhibited by niacinamide. Treatment of DLBCL cell lines with pan-DAC inhibitors in combination with niacinamide produces synergistic cytotoxicity in GC over ABC subtypes. This correlated with acetylation of both Bcl6 and p53. This combination also produced remissions in a spontaneous aggressive B-cell lymphoma mouse model expressing Bcl6. In a phase 1 proof-of-principle clinical trial, 24% of patients with relapsed or refractory lymphoma attained a response to vorinostat and niacinamide, and 57% experienced disease stabilization. We report herein on the preclinical and clinical activity of this targeted strategy in aggressive lymphomas. This trial was registered at www.clinicaltrials.gov as #NCT00691210.

  3. The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: modeling of the luminosity and colour dependence in the Data Release 10

    CERN Document Server

    Guo, Hong; Zehavi, Idit; Xu, Haojie; Eisenstein, Daniel J; Weinberg, David H; Bahcall, Neta A; Berlind, Andreas A; Comparat, Johan; McBride, Cameron K; Ross, Ashley J; Schneider, Donald P; Skibba, Ramin A; Swanson, Molly E C; Tinker, Jeremy L; Tojeiro, Rita; Wake, David A

    2014-01-01

    We investigate the luminosity and colour dependence of clustering of CMASS galaxies in the Sloan Digital Sky Survey-III Baryon Oscillation Spectroscopic Survey Tenth Data Release. The halo occupation distribution framework is adopted to model the projected two-point correlation function measurements on small and intermediate scales (from $0.02$ to $60\\,h^{-1}{\\rm {Mpc}}$) and to interpret the observed trends and infer the connection of galaxies to dark matter halos. We find that luminous red galaxies reside in massive halos of mass $M{\\sim}10^{13}$--$10^{14}\\,h^{-1}{\\rm M_\\odot}$ and more luminous galaxies are more clustered and hosted by more massive halos. The strong small-scale clustering requires a fraction of these galaxies to be satellites in massive halos, with the fraction at the level of 5--8 per cent and decreasing with luminosity. The characteristic mass of a halo hosting on average one satellite galaxy above a luminosity threshold is about a factor $8.7$ larger than that of a halo hosting a centra...

  4. Evolution, Nucleosynthesis, and Yields of AGB Stars at Different Metallicities. III. Intermediate-mass Models, Revised Low-mass Models, and the ph-FRUITY Interface

    Science.gov (United States)

    Cristallo, S.; Straniero, O.; Piersanti, L.; Gobrecht, D.

    2015-08-01

    We present a new set of models for intermediate-mass asymptotic giant branch (AGB) stars (4.0, 5.0, and 6.0 M⊙) at different metallicities (-2.15 ≤ [Fe/H] ≤ +0.15). This set integrates the existing models for low-mass AGB stars (1.3 ≤ M/M⊙ ≤ 3.0) already included in the FRUITY database. We describe the physical and chemical evolution of the computed models from the main sequence up to the end of the AGB phase. Due to less efficient third dredge up episodes, models with large core masses show modest surface enhancements. This effect is due to the fact that the interpulse phases are short and, therefore, thermal pulses (TPs) are weak. Moreover, the high temperature at the base of the convective envelope prevents it from deeply penetrating the underlying radiative layers. Depending on the initial stellar mass, the heavy element nucleosynthesis is dominated by different neutron sources. In particular, the s-process distributions of the more massive models are dominated by the 22Ne(α,n)25Mg reaction, which is efficiently activated during TPs. At low metallicities, our models undergo hot bottom burning and hot third dredge up. We compare our theoretical final core masses to available white dwarf observations. Moreover, we quantify the influence intermediate-mass models have on the carbon star luminosity function. Finally, we present the upgrade of the FRUITY web interface, which now also includes the physical quantities of the TP-AGB phase for all of the models included in the database (ph-FRUITY).

  5. Evolution, nucleosynthesis and yields of AGB stars at different metallicities (III): intermediate mass models, revised low mass models and the ph-FRUITY interface

    CERN Document Server

    Cristallo, S; Piersanti, L; Gobrecht, D

    2015-01-01

    We present a new set of models for intermediate mass AGB stars (4.0, 5.0 and, 6.0 Msun) at different metallicities (-2.15<=Fe/H]<=+0.15). This integrates the existing set of models for low mass AGB stars (1.3<=M/M<=3.0) already included in the FRUITY database. We describe the physical and chemical evolution of the computed models from the Main Sequence up to the end of the AGB phase. Due to less efficient third dredge up episodes, models with large core masses show modest surface enhancements. The latter is due to the fact that the interpulse phases are short and, then, Thermal Pulses are weak. Moreover, the high temperature at the base of the convective envelope prevents it to deeply penetrate the radiative underlying layers. Depending on the initial stellar mass, the heavy elements nucleosynthesis is dominated by different neutron sources. In particular, the s-process distributions of the more massive models are dominated by the \

  6. Development of a Dynamic Biomechanical Model for Load Carriage: Phase III Part C2: Development of a Dynamic Biomechanical Model Version 1 of Human Load Carriage

    Science.gov (United States)

    2005-08-01

    torse ont été définis comme étant des objets sans frottement ayant un coefficient de restitution de 0,5. Tout comme dans le modèle 2D, les sangles...higher damping coefficients to bring about a pack displacement pattern similar to that of the 3D model. In addition, the 3D model behaviour was more...une fréquence naturelle dominante d’environ 5 Hz. Globalement, il a fallu utiliser des coefficients d’amortissement plus élevés avec le modèle 2D

  7. Flavor violating signatures of lighter and heavier Higgs bosons within the two Higgs doublet model type III at the LHeC

    Science.gov (United States)

    Das, S. P.; Hernández-Sánchez, J.; Moretti, S.; Rosado, A.; Xoxocotzi, R.

    2016-09-01

    We analyze the prospects for observing the light and heavy C P -even neutral Higgs bosons (ϕ =h and H ) in their decays into flavor violating b s ¯ channels (including charge conjugation) at the proposed Large Hadron electron Collider (LHeC), with √{s }≈1.3 TeV , in the framework of a 2-Higgs doublet model (2HDM) Type III, assuming a four-zero texture in the Yukawa matrices and a general Higgs potential. We consider theoretically consistent scenarios in agreement with current experimental data from flavor and Higgs physics. We investigate the charged current production process νeϕ q in presence of flavor violating decays of the Higgs bosons, that lead to a 3 -jets+ ET signature. We demand exactly two jets, one tagged b -jet and one light-flavor jet, all in the central rapidity region. The remaining jet (originated by the remnant quark q ) is tagged in the forward or backward regions and this together with a central jet veto (not more than one light-flavor jet) are essential criterions to enhance the signal-to-background rates. We consider the most relevant standard model (SM) backgrounds, treating c -jets separately from light-flavor and gluon ones, while allowing for mistagging. We find that the SM-like Higgs boson, h , would be accessible within several parameter configurations of our model at approximately the 1 -2 σ level with 100 fb-1 of data. We also find that the heaviest neutral Higgs boson, H , with mass up to 150 GeV, would have a 1 σ significance for the same data sample. At the end of the LHeC running, one would have ten times data accumulation and for all the Higgs masses the significances are enhanced so as to allow for detection of both the h and H state. Hence, one of the most viable extensions of 2HDMs with flavor changing neutral currents (FCNCs) generated at tree level but controlled by a four-zero texture approach in the Yukawa matrices, as opposed to the adoption of ad hoc discrete symmetries, could be put under scrutiny at a future e

  8. Exploring the Origin of Differential Binding Affinities of Human Tubulin Isotypes αβII, αβIII and αβIV for DAMA-Colchicine Using Homology Modelling, Molecular Docking and Molecular Dynamics Simulations.

    Science.gov (United States)

    Kumbhar, Bajarang Vasant; Borogaon, Anubhaw; Panda, Dulal; Kunwar, Ambarish

    2016-01-01

    Tubulin isotypes are found to play an important role in regulating microtubule dynamics. The isotype composition is also thought to contribute in the development of drug resistance as tubulin isotypes show differential binding affinities for various anti-cancer agents. Tubulin isotypes αβII, αβIII and αβIV show differential binding affinity for colchicine. However, the origin of differential binding affinity is not well understood at the molecular level. Here, we investigate the origin of differential binding affinity of a colchicine analogue N-deacetyl-N-(2-mercaptoacetyl)-colchicine (DAMA-colchicine) for human αβII, αβIII and αβIV isotypes, employing sequence analysis, homology modeling, molecular docking, molecular dynamics simulation and MM-GBSA binding free energy calculations. The sequence analysis study shows that the residue compositions are different in the colchicine binding pocket of αβII and αβIII, whereas no such difference is present in αβIV tubulin isotypes. Further, the molecular docking and molecular dynamics simulations results show that residue differences present at the colchicine binding pocket weaken the bonding interactions and the correct binding of DAMA-colchicine at the interface of αβII and αβIII tubulin isotypes. Post molecular dynamics simulation analysis suggests that these residue variations affect the structure and dynamics of αβII and αβIII tubulin isotypes, which in turn affect the binding of DAMA-colchicine. Further, the binding free-energy calculation shows that αβIV tubulin isotype has the highest binding free-energy and αβIII has the lowest binding free-energy for DAMA-colchicine. The order of binding free-energy for DAMA-colchicine is αβIV ≃ αβII > αβIII. Thus, our computational approaches provide an insight into the effect of residue variations on differential binding of αβII, αβIII and αβIV tubulin isotypes with DAMA-colchicine and may help to design new analogues with higher

  9. Exploring the Origin of Differential Binding Affinities of Human Tubulin Isotypes αβII, αβIII and αβIV for DAMA-Colchicine Using Homology Modelling, Molecular Docking and Molecular Dynamics Simulations.

    Directory of Open Access Journals (Sweden)

    Bajarang Vasant Kumbhar

    Full Text Available Tubulin isotypes are found to play an important role in regulating microtubule dynamics. The isotype composition is also thought to contribute in the development of drug resistance as tubulin isotypes show differential binding affinities for various anti-cancer agents. Tubulin isotypes αβII, αβIII and αβIV show differential binding affinity for colchicine. However, the origin of differential binding affinity is not well understood at the molecular level. Here, we investigate the origin of differential binding affinity of a colchicine analogue N-deacetyl-N-(2-mercaptoacetyl-colchicine (DAMA-colchicine for human αβII, αβIII and αβIV isotypes, employing sequence analysis, homology modeling, molecular docking, molecular dynamics simulation and MM-GBSA binding free energy calculations. The sequence analysis study shows that the residue compositions are different in the colchicine binding pocket of αβII and αβIII, whereas no such difference is present in αβIV tubulin isotypes. Further, the molecular docking and molecular dynamics simulations results show that residue differences present at the colchicine binding pocket weaken the bonding interactions and the correct binding of DAMA-colchicine at the interface of αβII and αβIII tubulin isotypes. Post molecular dynamics simulation analysis suggests that these residue variations affect the structure and dynamics of αβII and αβIII tubulin isotypes, which in turn affect the binding of DAMA-colchicine. Further, the binding free-energy calculation shows that αβIV tubulin isotype has the highest binding free-energy and αβIII has the lowest binding free-energy for DAMA-colchicine. The order of binding free-energy for DAMA-colchicine is αβIV ≃ αβII >> αβIII. Thus, our computational approaches provide an insight into the effect of residue variations on differential binding of αβII, αβIII and αβIV tubulin isotypes with DAMA-colchicine and may help to design new

  10. Grids of stellar models with rotation - III. Models from 0.8 to 120 Msun at a metallicity Z = 0.002

    CERN Document Server

    Georgy, Cyril; Eggenberger, Patrick; Meynet, Georges; Haemmerlé, Lionnel; Maeder, André; Granada, Anahí; Groh, José; Hirschi, Raphael; Mowlavi, Nami; Yusof, Norhasliza; Charbonnel, Corinne; Decressin, Thibaut; Barblan, Fabio

    2013-01-01

    (shortened) We provide a grid of single star models covering a mass range from 0.8 to 120 Msun with an initial metallicity Z = 0.002 with and without rotation. We discuss the impact of a change in the metallicity by comparing the current tracks with models computed with exactly the same physical ingredients but with a metallicity Z = 0.014 (solar). We show that the width of the main-sequence (MS) band in the upper part of the Hertzsprung-Russell diagram (HRD), for luminosity above log(L/Lsun) > 5.5, is very sensitive to rotational mixing. Strong mixing significantly reduces the MS width. We confirm, but here for the first time on the whole mass range, that surface enrichments are stronger at low metallicity provided that comparisons are made for equivalent initial mass, rotation and evolutionary stage. We show that the enhancement factor due to a lowering of the metallicity (all other factors kept constant) increases when the initial mass decreases. Present models predict an upper luminosity for the red super...

  11. Reactor models for a series of continuous stirred tank reactors with a gas-liquid-solid leaching system: Part III. Model application

    Science.gov (United States)

    Papangelakis, V. G.; Demopoulos, G. P.

    1992-12-01

    A mathematical model developed to describe the steady-state performance of a three-phase leaching reactor is applied to the analysis and simulation of an industrial process: the high-temperature (180 °C to 200 °C) aqueous pressure oxidation (O2-H2SO4) of refractory pyrite-arsenopyrite (FeS2-FeAsS) gold concentrates. The simulation work reported here centers on the analysis of the autothermal operation of a continuous multistage horizontal autoclave. The focus is on the performance of the first autoclave compartment, since its autothermal “initialization” determines the rate of the whole process. The analysis of the whole autoclave is subsequently done on a stage-by-stage basis. The model considers both possible reaction control regimes, that is, reactor operation limited by the rate of the particle dissolution reaction (surface reaction control) or limited by the rate of O2 transfer at the g-1 interface (gas-transfer control). The decision whether the reactor operates under surface reaction control or gas transfer control is based on whether the gas-transfer capacity of the reactor can or cannot satisfy the oxygen demands of the leaching reactions. With the aid of the model, the effects of feed rate, feed preheating, cooling with water injection, slurry recycling, and autoclave configuration are critically evaluated from the standpoint of optimum autoclave performance.

  12. A trs20 mutation that mimics an SEDT-causing mutation blocks selective and non-selective autophagy: a model for TRAPP III organization.

    Science.gov (United States)

    Brunet, Stephanie; Shahrzad, Nassim; Saint-Dic, Djenann; Dutczak, Hartley; Sacher, Michael

    2013-10-01

    TRAPP is a multisubunit complex that functions in membrane traffic. Mutations in the mammalian TRAPP protein C2 are linked to the skeletal disorder spondyloepiphyseal dysplasia tarda (SEDT) that is thought to arise from an inability to secrete procollagen from the endoplasmic reticulum. Here, we show that C2 binds to the SNARE protein Syntaxin 5 and this interaction is weakened by an SEDT-causing missense mutation (D47Y). Interestingly, the equivalent mutation (D46Y) in the yeast C2 homolog Trs20p does not block anterograde traffic but did affect endocytosis. The trs20D46Y mutation interfered with the interaction between Trs20p and Trs85p (TRAPP III-specific subunit), Trs120p and Trs130p (TRAPP II-specific subunits). Size exclusion chromatography suggested that this yeast mutation destabilized the TRAPP III complex that is involved in autophagy. We further show that this mutation blocks both the selective cytosol-to-vacuole (cvt) pathway as well as non-selective autophagy. We demonstrate that the apparent molecular size of the TRAPP III complex is dependent upon membranes, and that the presence of TRAPP III is dependent upon Atg9p. Finally, we demonstrate that lipidated Bet3p is enriched in TRAPP III and that lipidation increases the efficiency of autophagy. Our study suggests that Trs20p acts as an adaptor for Trs85p and Trs120p and reveals complexities in TRAPP III assembly and function. The implications of C2D47Y in SEDT are discussed. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  13. The type III manufactory

    CERN Document Server

    Palcoux, Sébastien

    2011-01-01

    Using unusual objects in the theory of von Neumann algebra, as the chinese game Go or the Conway game of life (generalized on finitely presented groups), we are able to build, by hands, many type III factors.

  14. Modelling (18)O2 and (16)O2 unidirectional fluxes in plants. III: fitting of experimental data by a simple model.

    Science.gov (United States)

    André, Marcel J

    2013-08-01

    Photosynthetic assimilation of CO2 in plants results in the balance between the photochemical energy developed by light in chloroplasts, and the consumption of that energy by the oxygenation processes, mainly the photorespiration in C3 plants. The analysis of classical biological models shows the difficulties to bring to fore the oxygenation rate due to the photorespiration pathway. As for other parameters, the most important key point is the estimation of the electron transport rate (ETR or J), i.e. the flux of biochemical energy, which is shared between the reductive and oxidative cycles of carbon. The only reliable method to quantify the linear electron flux responsible for the production of reductive energy is to directly measure the O2 evolution by (18)O2 labelling and mass spectrometry. The hypothesis that the respective rates of reductive and oxidative cycles of carbon are only determined by the kinetic parameters of Rubisco, the respective concentrations of CO2 and O2 at the Rubisco site and the available electron transport rate, ultimately leads to propose new expressions of biochemical model equations. The modelling of (18)O2 and (16)O2 unidirectional fluxes in plants shows that a simple model can fit the photosynthetic and photorespiration exchanges for a wide range of environmental conditions. Its originality is to express the carboxylation and the oxygenation as a function of external gas concentrations, by the definition of a plant specificity factor Sp that mimics the internal reactions of Rubisco in plants. The difference between the specificity factors of plant (Sp) and of Rubisco (Sr) is directly related to the conductance values to CO2 transfer between the atmosphere and the Rubisco site. This clearly illustrates that the values and the variation of conductance are much more important, in higher C3 plants, than the small variations of the Rubisco specificity factor. The simple model systematically expresses the reciprocal variations of

  15. Mononuclear non-heme iron(III) complexes of linear and tripodal tridentate ligands as functional models for catechol dioxygenases: Effect of -alkyl substitution on regioselectivity and reaction rate

    Indian Academy of Sciences (India)

    Mallayan Palaniandavar; Kusalendiran Visvaganesan

    2011-03-01

    Catechol dioxygenases are responsible for the last step in the biodegradation of aromatic molecules in the environment. The iron(II) active site in the extradiol-cleaving enzymes cleaves the C-C bond adjacent to the hydroxyl group, while the iron(III) active site in the intradiol-cleaving enzymes cleaves the C-C bond in between two hydroxyl groups. A series of mononuclear iron(III) complexes of the type [Fe(L)Cl3], where L is the linear -alkyl substituted bis(pyrid-2-ylmethyl)amine, -alkyl substituted -(pyrid-2-ylmethyl)ethylenediamine, linear tridentate 3N ligands containing imidazolyl moieties and tripodal ligands containing pyrazolyl moieties have been isolated and studied as structural and functional models for catechol dioxygenase enzymes. All the complexes catalyse the cleavage of catechols using molecular oxygen to afford both intra- and extradiol cleavage products. The rate of oxygenation depends on the solvent and the Lewis acidity of iron(III) center as modified by the sterically demanding -alkyl groups. Also, our studies reveal that stereo-electronic factors like the Lewis acidity of the iron(III) center and the steric demand of ligands, as regulated by the -alkyl substituents, determine the regioselectivity and the rate of dioxygenation. In sharp contrast to all these complexes, the pyrazole-containing tripodal ligand complexes yield mainly the oxidized product benzoquinone.

  16. Thermodynamic data for predicting concentrations of Pu(III), Am(III), and Cm(III) in geologic environments

    Energy Technology Data Exchange (ETDEWEB)

    Rai, Dhanpat; Rao, Linfeng; Weger, H.T.; Felmy, A.R. [Pacific Northwest National Laboratory, WA (United States); Choppin, G.R. [Florida State University, Florida (United States); Yui, Mikazu [Japan Nuclear Cycle Development Inst., Tokai Works, Tokai, Ibaraki (Japan)

    1999-01-01

    This report provides thermodynamic data for predicting concentrations of Pu(III), Am(III), and Cm(III) in geologic environments, and contributes to an integration of the JNC chemical thermodynamic database, JNC-TDB (previously PNC-TDB), for the performance analysis of geological isolation system for high-level radioactive wastes. Thermodynamic data for the formation of complexes or compounds with hydroxide, chloride, fluoride, carbonate, nitrate, sulfate and phosphate are discussed in this report. Where data for specific actinide(III) species are lacking, the data were selected based on chemical analogy to other trivalent actinides. In this study, the Pitzer ion-interaction model is mainly used to extrapolate thermodynamic constants to zero ionic strength at 25degC. (author)

  17. Wizlaw III og minnesangen

    DEFF Research Database (Denmark)

    Pontoppidan, Maria

    2012-01-01

    Artikel om den sidste slaviske Rügenfyrste, Wizlaw III (1265/68-1325), der traditionelt har været identificeret med minnesangeren Wizlaw den Unge. Om de bevarede sange og om minnesangens rolle ved det rügenske fyrstehof.......Artikel om den sidste slaviske Rügenfyrste, Wizlaw III (1265/68-1325), der traditionelt har været identificeret med minnesangeren Wizlaw den Unge. Om de bevarede sange og om minnesangens rolle ved det rügenske fyrstehof....

  18. III-V microelectronics

    CERN Document Server

    Nougier, JP

    1991-01-01

    As is well known, Silicon widely dominates the market of semiconductor devices and circuits, and in particular is well suited for Ultra Large Scale Integration processes. However, a number of III-V compound semiconductor devices and circuits have recently been built, and the contributions in this volume are devoted to those types of materials, which offer a number of interesting properties. Taking into account the great variety of problems encountered and of their mutual correlations when fabricating a circuit or even a device, most of the aspects of III-V microelectronics, from fundamental p

  19. Interactions Between Fe(III)-oxides and Fe(III)-phyllosilicates During Microbial Reduction 2: Natural Subsurface Sediments

    Energy Technology Data Exchange (ETDEWEB)

    Wu, T.; Griffin, A. M.; Gorski, C. A.; Shelobolina, E. S.; Xu, H.; Kukkadapu, R. K.; Roden, E. E.

    2016-04-19

    Dissimilatory microbial reduction of solid-phase Fe(III)-oxides and Fe(III)-bearing phyllosilicates (Fe(III)-phyllosilicates) is an important process in anoxic soils, sediments, and subsurface materials. Although various studies have documented the relative extent of microbial reduction of single-phase Fe(III)-oxides and Fe(III)-phyllosilicates, detailed information is not available on interaction between these two processes in situations where both phases are available for microbial reduction. The goal of this research was to use the model dissimilatory iron-reducing bacterium (DIRB) Geobacter sulfurreducens to study Fe(III)-oxide vs. Fe(III)-phyllosilicate reduction in a range of subsurface materials and Fe(III)-oxide stripped versions of the materials. Low temperature (12K) Mossbauer spectroscopy was used to infer changes in the relative abundances of Fe(III)-oxide, Fe(III)-phyllosilicate, and phyllosilicate-associated Fe(II) (Fe(II)-phyllosilicate). A Fe partitioning model was employed to analyze the fate of Fe(II) and assess the potential for abiotic Fe(II)-catalyzed reduction of Fe(III)-phyllosilicates. The results showed that in most cases Fe(III)- oxide utilization dominated (70-100 %) bulk Fe(III) reduction activity, and that electron transfer from oxide-derived Fe(II) played only a minor role (ca. 10-20 %) in Fe partitioning. In addition, the extent of Fe(III)-oxide reduction was positively correlated to surface area-normalized cation exchange capacity and the phyllosilicate-Fe(III)/total Fe(III) ratio, which suggests that the phyllosilicates in the natural sediments promoted Fe(III)-oxide reduction by binding of oxide-derived Fe(II), thereby enhancing Fe(III)-oxide reduction by reducing or delaying the inhibitory effect that Fe(II) accumulation on oxide and DIRB cell surfaces has on Fe(III)-oxide reduction. In general our results suggest that although Fe(III)-oxide reduction is likely to dominate bulk Fe(III) reduction in most subsurface sediments, Fe

  20. Sorption of indium (III) onto carbon nanotubes.

    Science.gov (United States)

    Alguacil, F J; Lopez, F A; Rodriguez, O; Martinez-Ramirez, S; Garcia-Diaz, I

    2016-08-01

    Indium has numerous applications in different industrial sectors and is not an abundant element. Therefore appropriate technology to recover this element from various process wastes is needed. This research reports high adsorption capacity of multiwalled carbon nanotubes (MWCNT) for In(III). The effects of pH, kinetics, isotherms and adsorption mechanism of MWCNT on In(III) adsorption were investigated and discussed in detail. The pH increases improves the adsorption capacity for In(III). The Langmuir adsorption model is the best fit with the experimental data. For the kinetic study, the adsorption onto MWCNT could be fitted to pseudo second-order. The adsorption of indium(III) can be described to a mechanism which consists of a film diffusion controlled process. Metal desorption can be achieved with acidic solutions.

  1. Mode III effects on interface delamination

    DEFF Research Database (Denmark)

    Tvergaard, Viggo; Hutchinson, J.W.

    2008-01-01

    mode III has an effect. Subsequently, the focus is on crack growth along an interface between an elastic-plastic solid and an elastic substrate. The analyses are carried out for conditions of small-scale yielding, with the fracture process at the interface represented by a cohesive zone model. Due......For crack growth along an interface between dissimilar materials the effect of combined modes I, II and III at the crack-tip is investigated. First, in order to highlight situations where crack growth is affected by a mode III contribution, examples of material configurations are discussed where...... to the mismatch of elastic properties across the interface the corresponding elastic solution has an oscillating stress singularity, and this solution is applied as boundary conditions on the outer edge of the region analyzed. For several combinations of modes I, II and III crack growth resistance curves...

  2. Experimental and Theoretical Studies on Biologically Active Lanthanide (III) Complexes

    Science.gov (United States)

    Kostova, I.; Trendafilova, N.; Georgieva, I.; Rastogi, V. K.; Kiefer, W.

    2008-11-01

    The complexation ability and the binding mode of the ligand coumarin-3-carboxylic acid (HCCA) to La(III), Ce(III), Nd(III), Sm(III), Gd(III) and Dy(III) lanthanide ions (Ln(III)) are elucidated at experimental and theoretical level. The complexes were characterized using elemental analysis, DTA and TGA data as well as 1H NMR and 13C NMR spectra. FTIR and Raman spectroscopic techniques as well as DFT quantum chemical calculations were used for characterization of the binding mode and the structures of lanthanide(III) complexes of HCCA. The metal—ligand binding mode is predicted through molecular modeling and energy estimation of different Ln—CCA structures using B3LYP/6-31G(d) method combined with a large quasi-relativistic effective core potential for lanthanide ion. The energies obtained predict bidentate coordination of CCA- to Ln(III) ions through the carbonylic oxygen and the carboxylic oxygen. Detailed vibrational analysis of HCCA, CCA- and Ln(III) complexes based on both calculated and experimental frequencies confirms the suggested metal—ligand binding mode. The natural bonding analysis predicts strongly ionic character of the Ln(III)-CCA bonding in the- complexes studied. With the relatively resistant tumor cell line K-562 we obtained very interesting in-vitro results which are in accordance with our previously published data concerning the activity of lanthanide(III) complexes with other coumarin derivatives.

  3. Synthesis, characterization, and reactivity studies of a water-soluble bis(alkoxo)(carboxylato)-bridged diMn(III) complex modeling the active site in catalase.

    Science.gov (United States)

    Palopoli, Claudia; Duhayon, Carine; Tuchagues, Jean-Pierre; Signorella, Sandra

    2014-12-07

    A new diMn(III) complex, Na[Mn2(5-SO3-salpentO)(μ-OAc)(μ-OMe)(H2O)]·4H2O, where 5-SO3-salpentOH = 1,5-bis(5-sulphonatosalicylidenamino)pentan-3-ol, has been prepared and characterized. ESI-mass spectrometry, paramagnetic (1)H NMR, EPR and UV-visible spectroscopic studies on freshly prepared solutions of the complex in methanol and 9 : 1 methanol-water mixtures showed that the compound retains the triply bridged bis(μ-alkoxo)(μ-acetato)Mn2(3+) core in solution. In the 9 : 1 methanol-water mixture, slow substitution of acetate by water molecules took place, and after one month, the doubly bridged diMn(III) complex, [Mn2(5-SO3-salpentO)(μ-OMe)(H2O)3]·5H2O, formed and could be characterized by X-ray diffraction analysis. In methanolic or aqueous basic media, acetate shifts from a bridging to a terminal coordination mode, affording the highly stable [Mn2(5-SO3-salpentO)(μ-OMe)(OAc)](-) anion. The efficiency of the complex in disproportionating H2O2 depends on the solvent and correlates with the stability of the complex (towards metal dissociation) in each medium: basic buffer > aqueous base > water. The buffer preserves the integrity of the catalyst and the rate of O2 evolution remains essentially constant after successive additions of excess of H2O2. Turnovers as high as 3000 mol H2O2 per mol of catalyst, without significant decomposition and with an efficiency of k(cat)/K(M) = 1028 M(-1) s(-1), were measured for the complex in aqueous buffers of pH 11. Kinetic and spectroscopic results suggest a catalytic cycle that runs between Mn(III)2 and Mn(IV)2 oxidation states, which is consistent with the low redox potential observed for the Mn(III)2/Mn(III)Mn(IV) couple of the catalyst in basic medium.

  4. Synthesis, crystal structure and magnetism of iron(III) and manganese(III) dipicolinates with pyridinemethanols

    Science.gov (United States)

    Uhrecký, Róbert; Pavlik, Ján; Růžičková, Zdeňka; Dlháň, Ľubor; Koman, Marian; Boča, Roman; Moncoľ, Ján

    2014-11-01

    Four ionic iron(III) and manganese(III) dipicolinato complexes of the formula (2-pymeH) [FeIII(dipic)2]ṡ[FeIII(H2O)2Cl(dipic)]ṡ2H2O, (3-pymeH)[MnIII(dipic)2]ṡ1.5H2O, (4-pymeH)[FeIII(dipic)2]ṡ2H2O and (4-pymeH)[MnIII(dipic)2]ṡ2H2O, where H2dipic = pyridine-2,6-dicarboxylic acid, 2-pyme = 2-pyridinemethanol, 3-pyme = 3-pyridinemethanol, 4-pyme = 4-pyridinemethanol, have been prepared and characterized by the single-crystal X-ray structure analysis, infrared spectroscopy and magnetic measurements. The magnetic data were fitted to a zero-field splitting model revealing a slight magnetic anisotropy for Mn(III) systems. The molecular field correction was consistently formulated and included in the analysis for both, magnetic susceptibility and magnetization data.

  5. Pengaruh Penambahan Larutan Garam Dapur Dan Nacl 2%Terhadap Setting Time Dan Kekuatan Kompresi Gips Tipe Iii Sebagai Bahan Model Kerja Gigitiruan

    OpenAIRE

    Christine

    2013-01-01

    Model gigitiruan merupakan replika dari permukaan rongga mulut. Pembuatan model gigitiruan dilakukan dengan cara menuangkan gips ke dalam cetakan rongga mulut dan dibiarkan hingga mengeras. Model gigitiruan terbagi dua, yaitu model studi dan model kerja. Model studi menggunakan gipsum yang memiliki kekerasan yang lebih rendah karena model studi hanya digunakan dalam membantu rencana perawatan, sedangkan model kerja menggunakan gipsum yang memiliki kekerasan yang lebih tinggi karena model kerj...

  6. Evaluación de la calidad del agua del futuro Embalse Porce III por la influencia de la descarga del Embalse Porce II: Modelo de simulación de calidad del agua del futuro embalse Porce III Water quality evaluation of Porce II future dam due to the influence of Porce II dam unloading: Water Quality Simulation Model of Future Porce II Dam

    Directory of Open Access Journals (Sweden)

    Sandra Milena Silva Arroyave

    2008-07-01

    Full Text Available Este trabajo plantea evaluar la calidad del agua del futuro embalse Porce III por la influencia de la descarga del embalse Porce II, empleando un modelo matemático de simulación. La metodología consistió en recolectar información básica, seleccionar el modelo, realizar el montaje del mismo, diseñar los escenarios a simular, analizar los resultados y formular recomendaciones y conclusiones. El modelo seleccionado para realizar la simulación fue el CE-QUALW2. Los escenarios que se simularon fueron: Escenario 0, o escenario de control; escenario 1: sin considerar el aporte de la descarga de Porce II; escenario 2: efecto de la concentración de nutrientes aportados por la descarga de Porce II en la calidad del agua (nivel trófico de Porce III. Los principales resultados fueron: posiblemente el futuro embalse Porce III presentará eutrofia con una probabilidad superior al 50%. Con una disminución en el 20% de la concentración inicial de fosfatos (PO4, que ingresa al embalse proveniente de la descarga de Porce II, se logra que Porce III llegue a un estado de mesotrofia. Se encontró que el embalse en general no presentará estratificación térmica o será débilmente estratificado en la superficie. La calidad del agua de este embalse está determinada por la calidad de la descarga del embalse Porce II.This project considers evaluating water quality of Future Porce III Dam due to the influence of Porce II dam discharge, using a mathematical simulation model. The methodology consisted in gathering basic information, selecting the model, making its assembly, designing the scenarios to be simulated, analyzing the results, and formulating recommendations and conclusions. CE-QUALW2. was the selected model for the simulation. Simulated scenarios were: Scenario 0, or control scenario; scenario 1: without considering the contribution of Porce II discharge; scenario 2: effect of the nutrient concentrations - contributed by the Porce II discharge

  7. A murine model for type III tyrosinemia: lack of immunologically detectable 4-hydroxyphenylpyruvic acid dioxygenase enzyme protein in a novel mouse strain with hypertyrosinemia.

    Science.gov (United States)

    Endo, F; Katoh, H; Yamamoto, S; Matsuda, I

    1991-04-01

    We have characterized a new mutant strain of mouse that has hypertyrosinemia. The blood tyrosine level was persistently high, and increased amounts of 4-hydroxyphenylpyruvic acid and its derivatives were excreted into the urine. Succinylacetone was not detected in urine samples from these mice. All the animals were apparently healthy, and there was no evidence of hepatorenal dysfunction. The hypertyrosinemia was transmitted through an autosomal recessive inheritance. Analyses of hepatic enzymes related to tyrosine metabolism revealed that 4-hydroxyphenylpyruvic acid dioxygenase activity was virtually absent, while fumarylacetoacetase and tyrosine aminotransferases (cytosolic and mitochondrial forms) were normal in these mutant mice. Immunoblot analysis of 4-hydroxyphenylpyruvic acid dioxygenase protein in the liver indicated that the subunit protein of the enzyme was absent. It would appear that hypertyrosinemia in this mutant strain was caused by a genetic defect in 4-hydroxyphenylpyruvic acid dioxygenase. These features are similar to type III tyrosinemia in humans. Analysis of this mutant strain of mouse is expected to provide valuable information on the pathogenesis of human type III tyrosinemia and can also serve as a useful system for studies on tyrosine metabolism.

  8. Calculus III essentials

    CERN Document Server

    REA, Editors of

    2012-01-01

    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Calculus III includes vector analysis, real valued functions, partial differentiation, multiple integrations, vector fields, and infinite series.

  9. Anomalia de Classe III

    OpenAIRE

    2014-01-01

    Projeto de Pós-Graduação/Dissertação apresentado à Universidade Fernando Pessoa como parte dos requisitos para obtenção do grau de Mestre em Medicina Dentária Introdução: A anomalia de classe III, é uma má oclusão que afeta os indivíduos psicologicamente, pois hoje em dia, a estética é socialmente valorizada. Deste modo, o diagnóstico deve ser executado precocemente para que os indivíduos portadores desta anomalia, possam ser acompanhados desde criança, pelos profissionais área da Medicina...

  10. Homology-based modeling of the Erwinia amylovora type III secretion chaperone DspF used to identify amino acids required for virulence and interaction with the effector DspE.

    Science.gov (United States)

    Triplett, Lindsay R; Wedemeyer, William J; Sundin, George W

    2010-09-01

    The structure of DspF, a type III secretion system (T3SS) chaperone required for virulence of the fruit tree pathogen Erwinia amylovora, was modeled based on predicted structural homology to characterized T3SS chaperones. This model guided the selection of 11 amino acid residues that were individually mutated to alanine via site-directed mutagenesis. Each mutant was assessed for its effect on virulence complementation, dimerization and interaction with the N-terminal chaperone-binding site of DspE. Four amino acid residues were identified that did not complement the virulence defect of a dspF knockout mutant, and three of these residues were required for interaction with the N-terminus of DspE. This study supports the significance of the predicted beta-sheet helix-binding groove in DspF chaperone function.

  11. Stability constants of La(III), Pr(III), Nd(III), Sm(III), Gd(III), Tb(III) and Dy(III) complexes with N-(2-hydroxyphenyl) p-toluene sulphonamide

    Energy Technology Data Exchange (ETDEWEB)

    Chopra, S.C.; Mathur, K.C. (Jodhpur Univ. (India). Dept. of Chemistry)

    1981-01-01

    The dissociation constants of the ligand and stability constants of La(III), Pr(III), Nd(III), Sm(III), Gd(III), Tb(III) and Dy(III) complexes with N-(2-hydroxyphenyl) p-toluene sulphonamide have been determined potentiometrically using Calvin-Bjerrum pH titration technique at 30 +- 1deg C and ..mu.. = 0.1 M (NaClO/sub 4/) in aqueous medium. The stability constants of these metal complexes are found to follow the order Dy > Tb > Gd > Sm > Nd > Pr > La.

  12. Iron(III) complexes of tripodal tetradentate 4N ligands as functional models for catechol dioxygenases: the electronic vs. steric effect on extradiol cleavage.

    Science.gov (United States)

    Balamurugan, Mani; Vadivelu, Prabha; Palaniandavar, Mallayan

    2014-10-21

    A few mononuclear iron(iii) complexes of the type [Fe(L)Cl2]Cl , where L is a tetradentate tripodal 4N ligand such as N,N-dimethyl-N',N'-bis(pyrid-2-ylmethyl)ethane-1,2-diamine (), N,N-diethyl-N',N'-bis(pyrid-2-ylmethyl)ethane-1,2-diamine (), N,N-dimethyl-N',N'-bis-(6-methylpyrid-2-ylmethyl)ethane-1,2-diamine (), N,N-dimethyl-N'-(pyrid-2-ylmethyl)-N'-(1-methyl-1H-imidazol-2-ylmethyl)ethane-1,2-diamine (), N,N-dimethyl-N',N'-bis(1-methyl-1H-imidazol-2-ylmethyl)ethane-1,2-diamine () and N,N-dimethyl-N',N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine (), have been isolated and characterized by CHN analysis, UV-Visible spectroscopy and electrochemical methods. The complex cation [Fe(H)Cl3](+) possesses a distorted octahedral geometry in which iron is coordinated by the monoprotonated 4N ligand in a tridentate fashion and the remaining three sites of the octahedron are occupied by chloride ions. The DFT optimized octahedral geometries of , and contain iron(iii) with a high-spin (S = 5/2) ground state. The catecholate adducts [Fe(L)(DBC)](+), where H2DBC is 3,5-di-tert-butylcatechol, of all the complexes have been generated in situ in acetonitrile solution and their spectral and redox properties and dioxygenase activities have been studied. The DFT optimized geometries of the catecholate adducts [Fe()(DBC)](+), [Fe()(DBC)](+) and [Fe()(DBC)](+) have also been generated to illustrate the ability of the complexes to cleave H2DBC in the presence of molecular oxygen to afford varying amounts of intra- (I) and extradiol (E) cleavage products. The extradiol to intradiol product selectivity (E/I, 0.1-2.0) depends upon the asymmetry in bidentate coordination of catecholate, as determined by the stereoelectronic properties of the ligand donor functionalities. While the higher E/I value obtained for [Fe()(DBC)](+) is on account of the steric hindrance of the quinolyl moiety to coordination the lower value observed for [Fe()(DBC)](+) and [Fe()(DBC)](+) is on account of the electron

  13. Population III Gamma-Ray Bursts

    Science.gov (United States)

    Toma, K.; Sakamoto, T.; Mészáros, P.

    Population III stars are theoretically expected to be prominent around redshifts z ˜ 20, consisting of mainly very massive stars (VMSs) with M_* ∼ 100;M_⊙, but there is no direct observational evidence for these objects. They may produce collapsar gamma-ray bursts (GRBs), with jets driven by magnetohydrodynamic processes, whose total isotropic-equivalent energy could be as high as E_iso ∼ 1057;erg over a cosmological-rest-frame duration of t_d ∼ 104;s, depending on the progenitor mass. The detection of a burst with such a high total energy and a long duration would be a strong evidence for a VMS progenitor. We calculate the prompt emission and afterglow spectra of such Pop. III GRBs based on the standard models, and show that they will be detectable with the Swift BAT/XRT and Fermi LAT instruments. We also show that the late-time radio afterglows of Pop. III GRBs for typical parameters, despite the large distances, can be very bright: ≃ 140;mJy at 1;GHz, which may lead to a constraint on the Pop. III GRB rate from the current radio survey data, and ≃ 2.4;mJy at 70;MHz, which implies that Pop. III GRB radio afterglows could be interesting background source candidates for 21 cm absorption line detections.

  14. Population III Hypernovae

    CERN Document Server

    Smidt, Joseph; Even, Wesley; Wiggins, Brandon; Johnson, Jarrett L; Fryer, Chris L

    2014-01-01

    Population III supernovae have been of growing interest of late for their potential to directly probe the properties of the first stars, particularly the most energetic events that are visible near the edge of the observable universe. But until now, hypernovae, the unusually energetic Type Ib/c supernovae that are sometimes associated with gamma-ray bursts, have been overlooked as cosmic lighthouses at the highest redshifts. In this, the latest of a series of studies on Population III supernovae, we present numerical simulations of 25 - 50 M$_{\\odot}$ hypernovae and their light curves done with the Los Alamos RAGE and SPECTRUM codes. We find that they will be visible at z = 10 - 15 to the James Webb Space Telescope (JWST) and z = 4 - 5 to the Wide-Field Infrared Survey Telescope (WFIRST), tracing star formation rates in the first galaxies and at the end of cosmological reionization. If, however, the hypernova crashes into a dense shell ejected by its progenitor, a superluminous event will occur that may be se...

  15. POPULATION III HYPERNOVAE

    Energy Technology Data Exchange (ETDEWEB)

    Smidt, Joseph; Whalen, Daniel J. [T-2, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Wiggins, Brandon K. [Department of Physics and Astronomy, Brigham Young University, Provo, UT 84602 (United States); Even, Wesley; Fryer, Chris L. [CCS-2, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Johnson, Jarrett L., E-mail: dwhalen1999@gmail.com [XTD-PRI, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2014-12-20

    Population III supernovae have been of growing interest of late for their potential to directly probe the properties of the first stars, particularly the most energetic events that are visible near the edge of the observable universe. Until now, hypernovae, the unusually energetic Type Ib/c supernovae that are sometimes associated with gamma-ray bursts, have been overlooked as cosmic beacons at the highest redshifts. In this, the latest of a series of studies on Population III supernovae, we present numerical simulations of 25-50 M {sub ☉} hypernovae and their light curves done with the Los Alamos RAGE and SPECTRUM codes. We find that they will be visible at z = 10-15 to the James Webb Space Telescope and z = 4-5 to the Wide-Field Infrared Survey Telescope, tracing star formation rates in the first galaxies and at the end of cosmological reionization. If, however, the hypernova crashes into a dense shell ejected by its progenitor, it is expected that a superluminous event will occur that may be seen at z ∼ 20 in the first generation of stars.

  16. The use of Numerical Weather Prediction and a Lagrangian transport (NAME-III) and dispersion (ASHFALL) models to explain patterns of observed ash deposition and dispersion following the August 2012 Te Maari, New Zealand eruption

    Science.gov (United States)

    Turner, Richard; Moore, Stuart; Pardo, Natalia; Kereszturi, Gabor; Uddstrom, Michael; Hurst, Tony; Cronin, Shane

    2014-10-01

    The August 6, 2012 Te Maari, New Zealand eruption produced a very small ash-dominated plume (~ 230,000 m3, 8-10 km high) that was rapidly and widely dispersed, covering 1600 km2 within an hour. This paper documents for the August 6, 2012 Te Maari eruption the upper level (troposphere) plume movement based on ash-detection algorithms applied to IR satellite imagery. It also presents the distribution of airborne ash and wind-influenced ashfall as determined by NAME-III aerial dispersion modelling using observed particle characteristics and grain size distribution measurements (that are also presented) and compares the ashfall with observations. The upper level (troposphere) ash movement was also evaluated from ash-detection algorithms, applied to infra-red satellite imagery and the resulting distributions were compared to those forecast by the numerical dispersion models. Forecasts of upper level ash-dispersion patterns explained the satellite imagery observations well, predicting the correct altitudes when using plausible ash size distributions and release levels. Patterns in proximal ashfall could only be partly explained by aerial dispersal of large particles released at low altitudes in the eruption column. The extreme distal (100-150 km away) observed ashfall distributions also cannot be fully explained by NAME-III when using: reasonably prescribed initial particle size distributions, eruption column height, eruption timing, well forecast winds, and dry sedimentation processes. Aggregation and ice nucleation effects (observed in deposits) were not included in the ash dispersion model, but appear as a plausible mechanism to account for the observed fraction of wind dispersed ash particles < 30 μm deposited but not captured by the models.

  17. Antithrombin III: biodistribution in healthy volunteers.

    Science.gov (United States)

    Knot, E A; de Jong, E; ten Cate, J W; Gie, L K; van Royen, E A

    1987-12-18

    Five healthy volunteers were injected intravenously with 73-90 uCi purified human 131I-Antithrombin III (AT III), specific biological activity 5.6 U/mg. The tracer data were analysed using a three compartment model. The plasma radioactivity half life was 66.2 +/- 1.2 (sem) h, the fractional catabolic rate constant of the plasma pool was 0.025 +/- 0.002 (sem) h-1. These data were comparable with those described in the literature. Because of the difficulty in translating the mathematical analysis of various compartments into the biological model, biodistribution was monitored by a gamma camera linked to a DEC PDP 11/34 computer system. Dynamic and static images were obtained at fixed time intervals following the injection of 131I-AT III. Whole body scanning at intervals between the time of injection (t = 0) and t = 24.5 h showed 131I-AT III distribution over the heart, lungs, liver, spleen and great vessels. Dynamic scanning was performed over the heart, spleen and liver. Overlayed frames in the first ten minutes after the 131I-AT III injection showed the following radioactivity expressed as percentage of the injected dose; 5.9% +/- 0.3 (sem) over the heart, 10.6% +/- 0.9 (sem) over the liver and 1.1% +/- 0.1 (sem) over the spleen. A slower decline of the radioactivity between t = 0 and t = 24 h; (19%) was measured over the liver compared with the radioactivity disappearance over the heart region. This shows, in combination with the fact that the radioactivity disappearance over the heart was identical with the radioactivity decline measured in the plasma samples that retention of 131I-AT III occurred in the liver.(ABSTRACT TRUNCATED AT 250 WORDS)

  18. Experimental and molecular modeling studies of the interaction of the polypyridyl Fe(II) and Fe(III) complexes with DNA and BSA.

    Science.gov (United States)

    Behnamfar, Mohammad Taghi; Hadadzadeh, Hassan; Simpson, Jim; Darabi, Farivash; Shahpiri, Azar; Khayamian, Taghi; Ebrahimi, Malihe; Amiri Rudbari, Hadi; Salimi, Mona

    2015-01-01

    Two mononuclear iron complexes, [Fe(tppz)₂](PF₆)₂·H₂O (1) and Fe(tppz)Cl₃·2CHCl₃ (2) where tppz is (2,3,5,6-tetra(2-pyridyl)pyrazine), have been synthesized and characterized by elemental analysis, spectroscopic methods (UV-Vis and IR) and single crystal X-ray structure analysis. The interaction of (1) as the nitrate salt ([Fe(tppz)₂](NO₃)₂) with calf-thymus DNA (CT-DNA) has been monitored by UV-Vis spectroscopy, competitive fluorescence titration, circular dichroism (CD), voltammetric techniques, viscosity measurement, and gel electrophoresis. Gel electrophoresis of DNA with [Fe(tppz)₂](NO₃)₂ demonstrated that the complex also has the ability to cleave supercoiled plasmid DNA. The results have indicated that the complex binds to CT-DNA by three binding modes, viz., electrostatic, groove and partial insertion of the pyridyl rings between the base stacks of double-stranded DNA. Molecular docking of [Fe(tppz)₂](NO₃)₂ with the DNA sequence d(ACCGACGTCGGT)₂ suggests the complex fits into the major groove. The water-insoluble complex (2) can catalyze the cleavage of BSA at 40 °C. There are no reports of the catalytic effect of polypyridyl metal complexes on the BSA cleavage. Molecular docking of (2) with BSA suggests that, when the chloro ligands in the axial positions are replaced by water molecules, the BSA can interact with the Fe(III) complex more easily.

  19. The optically thick C III spectrum. 2: Level/term populations and line/multiplet intensities using an improved hybrid model

    Science.gov (United States)

    Bhatia, A. K.; Kastner, S. O.

    1993-01-01

    An improved hybrid level/term calculation is employed to obtain C III level/term populations and line/fractional multiplet intensities over the extended range of electron density 4.0 less than or equal log N(sub e) less than or equal 12.0, for column lengths L ranging from zero (optically thin) to 10(exp 20)/sq cm (moderately optically thick), at electron temperatures T(sub e) approximately 40,000 K(log T(sub e) = 4.6), T(sub e) approximately 63,000 K (log T(sub e) = 4.8), T(sub e) approximately 79,500 K (log T(sub e) = 4.9), and T(sub e) = 100,000 K (log T(sub e) = 5.0). The tabulated results are relevant to the interpretation of space observations obtained over extended spectral ranges by new and planned facilities including the Hopkins Ultraviolet Telescope (HUT) and the Far-Ultraviolet Spectrographic Explorer (FUSE).

  20. Diglycolamic acid anchored on polyamine matrix for the mutual separation of Eu(III) and Am(III)

    Energy Technology Data Exchange (ETDEWEB)

    Suneesh, A.S.; Syamala, K.V.; Venkatesan, K.A.; Antony, M.P.; Vasudeva Rao, P.R. [Indira Gandhi Centre for Atomic Research, Kalpakkam (India). Fuel Chemistry Div.

    2016-04-01

    Diglycolamic acid was anchored on a polyamine matrix and the product (PA-DGAH) was characterized by ion-exchange capacity measurement, TG-DTA and FT-IR spectroscopy. The extraction behavior of Am(III) and Eu(III) in PA-DGAH was studied from dilute nitric acid medium to examine the feasibility using the anchored adsorbent for their mutual separation. The effect of various parameters such as the duration of equilibration, concentration of europium, nitric acid and diethylenetriaminepentaacetic acid (DTPA) in aqueous phase on the distribution coefficient (K{sub d}) of Am(III) and Eu(III) was studied. The distribution coefficient decreased with increase in the concentration of nitric acid. Rapid extraction of metal ions in the initial stages of equilibration followed by the establishment of equilibrium occurred within 4 h. The data on the rate of uptake of Am(III) and Eu(III) were fitted into pseudo-first order and pseudo-second order rate equation. The extraction isotherm was fitted to Langmuir and Freundlich adsorption models and the apparent europium extraction capacity was determined. The mechanism of extraction was elucidated and the conditions needed for efficient separation of Am(III) from Eu(III) was optimized using DTPA. The study indicated the possibility of using PA-DGAH for the separation of Eu(III) from Am(III) with high separation factors.

  1. Expression of anti-neuroexcitation peptide III of scorpion Buthus martensii Karsch BmK ANEP III in plants.

    Science.gov (United States)

    Song, Y B; Huang, T T; Lai, L L; Zhou, J; Yang, W Y; Zhang, J H

    2011-01-01

    Anti-neuroexcitation peptide III of Buthus martensii Karsch (BmK ANEP III) has better anti-epileptic and anticonvulsive effects in the test animal models. The present study is aimed at developing transgenic tomato and tobacco lines overproducing the ANEP III protein. Using the molecular cloning technique, the plant expression vector pBI-ANEP III was constructed successfully. The ANEP III expression cassette included a double CaMV 35S promoter with omega enhancers, the ANEP III gene with the Kozak sequence, the ER retention signal and the NOS terminator. Recombinant plasmids were transferred into Agrobacterium tumefaciens EHA105 by freeze-thaw transformation methods. By the Agrobacterium-mediated leaf disc transformation method, tobacco (Nicotiana tabacum) and tomato (Lycopersicum esculentum) lines were transformed. Transformants were screened and confirmed by PCR, RT-PCR and western blotting analysis. It was demonstrated that the ANEP III gene was successfully expressed in the genomic DNA of transgenic plants. The ANEP III protein was detected by immunofluorescence analysis, and the results confirmed the high amount of ANEP III protein, being 0.81 and 1.08% of total soluble proteins in transgenic tobacco and tomato. The study of plants with high expression levels of ANEP III has an important theoretical and practical significance and provides valuable information for establishing a new, economical and effective system for industrial protein production.

  2. Mathematical Model of a pH-gradient Creation at Isoelectrofocusing. Part III: Numerical Solution of the Non-stationary Problem

    CERN Document Server

    Shiryaeva, E V; Zhukov, M Yu

    2013-01-01

    The mathematical model describing the non-stationary natural pH-gradient arising under the action of an electric field in an aqueous solution of ampholytes (amino acids) is constructed and investigated. The model is part of a more general model of the isoelectrofocusing (IEF) process. To numerical study of the model we use the finite elements method that allows to significantly reduce the computation time. We also examine the influence of the different effects (taking into account the water ions, the various forms of Ohm's law, the difference between isoelectric and isoionic points of the substances) on the process IEF.

  3. Project on Elite Athlete Commitment (PEAK): III. An examination of the external validity across gender, and the expansion and clarification of the Sport Commitment Model.

    Science.gov (United States)

    Scanlan, Tara K; Russell, David G; Magyar, T Michelle; Scanlan, Larry A

    2009-12-01

    The Sport Commitment Model was further tested using the Scanlan Collaborative Interview Method to examine its generalizability to New Zealand's elite female amateur netball team, the Silver Ferns. Results supported or clarified Sport Commitment Model predictions, revealed avenues for model expansion, and elucidated the functions of perceived competence and enjoyment in the commitment process. A comparison and contrast of the in-depth interview data from the Silver Ferns with previous interview data from a comparable elite team of amateur male athletes allowed assessment of model external validity, tested the generalizability of the underlying mechanisms, and separated gender differences from discrepancies that simply reflected team or idiosyncratic differences.

  4. Columnar modelling of nucleation burst evolution in the convective boundary layer – first results from a feasibility study Part III: Preliminary results on physicochemical model performance using two "clean air mass" reference scenarios

    Directory of Open Access Journals (Sweden)

    O. Hellmuth

    2006-01-01

    Full Text Available In Paper I of four papers, a revised columnar high-order model to investigate gas-aerosol-turbulence interactions in the convective boundary layer (CBL was proposed. In Paper II, the model capability to predict first-, second- and third-order moments of meteorological variables in the CBL was demonstrated using available observational data. In the present Paper III, the high-order modelling concept is extended to sulphur and ammonia chemistry as well as to aerosol dynamics. Based on the previous CBL simulation, a feasibility study is performed using two "clean air mass" scenarios with an emission source at the ground but low aerosol background concentration. Such scenarios synoptically correspond to the advection of fresh post-frontal air in an anthropogenically influenced region. The aim is to evaluate the time-height evolution of ultrafine condensation nuclei (UCNs and to elucidate the interactions between meteorological and physicochemical variables in a CBL column. The scenarios differ in the treatment of new particle formation (NPF, whereas homogeneous nucleation according to the classical nucleation theory (CNT is considered. The first scenario considers nucleation of a binary system consisting of water vapour and sulphuric acid (H2SO4 vapour, the second one nucleation of a ternary system additionally involving ammonia (NH3. Here, the two synthetic scenarios are discussed in detail, whereas special attention is payed to the role of turbulence in the formation of the typical UCN burst behaviour, that can often be observed in the surface layer. The intercomparison of the two scenarios reveals large differences in the evolution of the UCN number concentration in the surface layer as well as in the time-height cross-sections of first-order moments and double correlation terms. Although in both cases the occurrence of NPF bursts could be simulated, the burst characteristics and genesis of the bursts are completely different. It is demonstrated

  5. Fast ejendom III

    DEFF Research Database (Denmark)

    Munk-Hansen, Carsten

    Bogen er det tredje bind af tre planlagte bind om fast ejendom: I Overdragelsen, II Bolighandlen og III Ejerbeføjelsen. Fremstillingens giver et grundigt overblik over centrale områder af en omfattende regulering af fast ejendom, med angivelse af litteratur, hvor læseren kan søge yderligere...... oplysning. En ejer af fast ejendom er på særdeles mange områder begrænset i sin råden sammenlignet med ejeren af et formuegode i almindelighed. Fremstillingen tager udgangspunkt i ejerens perspektiv (fremfor samfundets eller myndighedernes). Både den privatretlige og offentligretlige regulering behandles......, eksempelvis ejendomsdannelsen, servitutter, naboretten, hævd, zoneinddelingen, den fysiske planlægning, beskyttelse af natur, beskyttelse af kultur, forurening fra fast ejendom, erstatning for forurening, jordforurening, ekspropriation, byggeri og adgang til fast ejendom....

  6. Ammonium diphosphitoindate(III

    Directory of Open Access Journals (Sweden)

    Farida Hamchaoui

    2013-04-01

    Full Text Available The crystal structure of the title compound, NH4[In(HPO32], is built up from InIII cations (site symmetry 3m. adopting an octahedral environment and two different phosphite anions (each with site symmetry 3m. exhibiting a triangular–pyramidal geometry. Each InO6 octahedron shares its six apices with hydrogen phosphite groups. Reciprocally, each HPO3 group shares all its O atoms with three different metal cations, leading to [In(HPO32]− layers which propagate in the ab plane. The ammonium cation likewise has site symmetry 3m.. In the structure, the cations are located between the [In(HPO32]− layers of the host framework. The sheets are held together by hydrogen bonds formed between the NH4+ cations and the O atoms of the framework.

  7. Oxymatrinium tetrachloridoferrate(III

    Directory of Open Access Journals (Sweden)

    Xiong He

    2012-02-01

    Full Text Available The asymmetric unit of the title compound, (C15H25N2O2[FeCl4], contains a tetrachloridoferrate(III anion and a oxymatrinium cation [oxymatrine is (4R,7aS,13aR,13bR,13cS-dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one 4-oxide]. The conformation of oxymatrine is similar to that of matrine with one ring having a half-chair conformation, while the others have chair conformations. Chiral chains of cations along the c axis are formed by O—H...O hydrogen bonds.

  8. III.— Documents

    OpenAIRE

    2014-01-01

    III/1 inventaire de l’orangerie du château d’Ivry, 1770 • Inventaire après décès du marquis de Béringhen (extrait), AN M.C. LXXXVIII, 723, 28 février 1770 « [f° 113 v°] Dudit jour samedi seize du présent mois de juin huit heures du matin à même requête qualité et preuve que dessus, ainsi que le tout a été ci-devant établi, va être par les conseillers du roi notaires au Châtelet de Paris [f° 114 r°] soussignés procédé à la continuation du présent inventaire de la manière et ainsi qu’il suit. S...

  9. Pseudo Class III malocclusion.

    Science.gov (United States)

    Al-Hummayani, Fadia M

    2016-04-01

    The treatment of deep anterior crossbite is technically challenging due to the difficulty of placing traditional brackets with fixed appliances. This case report represents a none traditional treatment modality to treat deep anterior crossbite in an adult pseudo class III malocclusion complicated by severely retruded, supraerupted upper and lower incisors. Treatment was carried out in 2 phases. Phase I treatment was performed by removable appliance "modified Hawley appliance with inverted labial bow," some modifications were carried out to it to suit the presented case. Positive overbite and overjet was accomplished in one month, in this phase with minimal forces exerted on the lower incisors. Whereas, phase II treatment was performed with fixed appliances (braces) to align teeth and have proper over bite and overjet and to close posterior open bite, this phase was accomplished within 11 month.

  10. The model SIRANE for atmospheric urban pollutant dispersion. PART III: Validation against NO2 yearly concentration measurements in a large urban agglomeration

    Science.gov (United States)

    Soulhac, L.; Nguyen, C. V.; Volta, P.; Salizzoni, P.

    2017-10-01

    We present a validation study of an updated version of the SIRANE model, whose results have been systematically compared to concentrations of nitrogen dioxide collected over the whole urban agglomeration of Lyon. We model atmospheric dispersion of nitrogen oxides emitted by road traffic, industries and domestic heating. The meteorological wind field is computed by a pre-processor using data collected at a ground level monitoring station. Model results are compared with hourly concentrations measured at 15 monitoring stations over the whole year (2008). Further 75 passive diffusion samplers were used during 3 periods of 2 weeks to get a detailed spatial distribution over the west part of the city. An analysis of the model results depending on the variability of the meteorological input allows us to identify the causes for peculiar bad performances of the model and to identify possible improvements of the parameterisations implemented in it.

  11. Semiconducting III-V compounds

    CERN Document Server

    Hilsum, C; Henisch, Heinz R

    1961-01-01

    Semiconducting III-V Compounds deals with the properties of III-V compounds as a family of semiconducting crystals and relates these compounds to the monatomic semiconductors silicon and germanium. Emphasis is placed on physical processes that are peculiar to III-V compounds, particularly those that combine boron, aluminum, gallium, and indium with phosphorus, arsenic, and antimony (for example, indium antimonide, indium arsenide, gallium antimonide, and gallium arsenide).Comprised of eight chapters, this book begins with an assessment of the crystal structure and binding of III-V compounds, f

  12. Tri- and tetra-substituted cyclen based lanthanide(III) ion complexes as ribonuclease mimics: a study into the effect of log Ka, hydration and hydrophobicity on phosphodiester hydrolysis of the RNA-model 2-hydroxypropyl-4-nitrophenyl phosphate (HPNP).

    Science.gov (United States)

    Fanning, Ann-Marie; Plush, Sally E; Gunnlaugsson, Thorfinnur

    2015-05-28

    A series of tetra-substituted 'pseudo' dipeptide ligands of cyclen (1,4,7,10,-tetraazacyclododecane) and a tri-substituted 3'-pyridine ligand of cyclen, and the corresponding lanthanide(III) complexes were synthesised and characterised as metallo-ribonuclease mimics. All complexes were shown to promote hydrolysis of the phosphodiester bond of 2-hydroxypropyl-4-nitrophenyl phosphate (HPNP, τ1/2 = 5.87 × 10(3) h), a well known RNA mimic. The La(III) and Eu(III) tri-substituted 3'-pyridine lanthanide(III) complexes being the most efficient in promoting such hydrolysis at pH 7.4 and at 37 °C; with τ1/2 = 1.67 h for La(III) and 1.74 h for Eu(III). The series was developed to provide the opportunity to investigate the consequences of altering the lanthanide(III) ion, coordination ability and hydrophobicity of a metallo-cavity on the rate of hydrolysis using the model phosphodiester, HPNP, at 37 °C. To further provide information on the role that the log Ka of the metal bound water plays in phosphodiester hydrolysis the protonation constants and the metal ion stability constants of both a tri and tetra-substituted 3'pyridine complex were determined. Our results highlighted several key features for the design of lanthanide(III) ribonucelase mimics; the presence of two metal bound water molecules are vital for pH dependent rate constants for Eu(III) complexes, optimal pH activity approximating physiological pH (∼7.4) may be achieved if the log Ka values for both MLOH and ML(OH)2 species occur in this region, small changes to hydrophobicity within the metallo cavity influence the rate of hydrolysis greatly and an amide adjacent to the metal ion capable of forming hydrogen bonds with the substrate is required for achieving fast hydrolysis.

  13. Estimation of surface heat and moisture fluxes over a prairie grassland. III - Design of a hybrid physical/remote sensing biosphere model

    Science.gov (United States)

    Smith, Eric A.; Cooper, Harry J.; Crosson, William L.; Weng, Heng-Yi

    1993-01-01

    The design and formulation of an experimental biosphere model (Ex-BATS), based on the biosphere-atmosphere transfer scheme (BATS) of Dickinson (1983, 1984) and Dickinson et al. (1986) are described. The Ex-BATS was designed to incorporate both in situ measurements and satellite parameterizations of certain canopy variables which are slowly varying in the course of a growing season. The new model was validated using measurements obtained during the May 28 to August 21 First International Satellite and Surface Climatology Project Field Experiment, showing that the Ex-BATS model reproduced closely the diurnal behavior of the surface fluxes.

  14. Bayesian model selection techniques as decision support for shaping a statistical analysis plan of a clinical trial: An example from a vertigo phase III study with longitudinal count data as primary endpoint

    Directory of Open Access Journals (Sweden)

    Adrion Christine

    2012-09-01

    Full Text Available Abstract Background A statistical analysis plan (SAP is a critical link between how a clinical trial is conducted and the clinical study report. To secure objective study results, regulatory bodies expect that the SAP will meet requirements in pre-specifying inferential analyses and other important statistical techniques. To write a good SAP for model-based sensitivity and ancillary analyses involves non-trivial decisions on and justification of many aspects of the chosen setting. In particular, trials with longitudinal count data as primary endpoints pose challenges for model choice and model validation. In the random effects setting, frequentist strategies for model assessment and model diagnosis are complex and not easily implemented and have several limitations. Therefore, it is of interest to explore Bayesian alternatives which provide the needed decision support to finalize a SAP. Methods We focus on generalized linear mixed models (GLMMs for the analysis of longitudinal count data. A series of distributions with over- and under-dispersion is considered. Additionally, the structure of the variance components is modified. We perform a simulation study to investigate the discriminatory power of Bayesian tools for model criticism in different scenarios derived from the model setting. We apply the findings to the data from an open clinical trial on vertigo attacks. These data are seen as pilot data for an ongoing phase III trial. To fit GLMMs we use a novel Bayesian computational approach based on integrated nested Laplace approximations (INLAs. The INLA methodology enables the direct computation of leave-one-out predictive distributions. These distributions are crucial for Bayesian model assessment. We evaluate competing GLMMs for longitudinal count data according to the deviance information criterion (DIC or probability integral transform (PIT, and by using proper scoring rules (e.g. the logarithmic score. Results The instruments under study

  15. Antisites in III-V semiconductors: Density functional theory calculations

    Energy Technology Data Exchange (ETDEWEB)

    Chroneos, A., E-mail: alex.chroneos@open.ac.uk [Engineering and Innovation, The Open University, Milton Keynes MK7 6AA (United Kingdom); Tahini, H. A. [Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom); PSE Division, KAUST, Thuwal 23955-6900 (Saudi Arabia); Schwingenschlögl, U., E-mail: udo.schwingenschlogl@kaust.edu.sa [PSE Division, KAUST, Thuwal 23955-6900 (Saudi Arabia); Grimes, R. W., E-mail: r.grimes@imperial.ac.uk [Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom)

    2014-07-14

    Density functional based simulation, corrected for finite size effects, is used to investigate systematically the formation of antisite defects in III-V semiconductors (III = Al, Ga, and In and V = P, As, and Sb). Different charge states are modelled as a function of the Fermi level and under different growth conditions. The formation energies of group III antisites (III{sub V}{sup q}) decrease with increasing covalent radius of the group V atom though not group III radius, whereas group V antisites (V{sub III}{sup q}) show a consistent decrease in formation energies with increase in group III and group V covalent radii. In general, III{sub V}{sup q} defects dominate under III-rich conditions and V{sub III}{sup q} under V-rich conditions. Comparison with equivalent vacancy formation energy simulations shows that while antisite concentrations are always dominant under stoichiometric conditions, modest variation in growth or doping conditions can lead to a significantly higher concentration of vacancies.

  16. Blocking Metal Accretion onto Population III Stars by Stellar Wind

    Science.gov (United States)

    Tanaka, Shuta J.; Chiaki, Gen; Tominaga, Nozomu; Susa, Hajime

    2017-08-01

    Low-mass population III (PopIII) stars of ≲ 0.8 {M}⊙ could survive up until the present. The nondetection of low-mass PopIII stars in our Galaxy has already put a stringent constraint on the initial mass function (IMF) of PopIII stars, suggesting that PopIII stars have a top-heavy IMF. On the other hand, some claim that the lack of such stars stems from metal enrichment of their surfaces by the accretion of heavy elements from the interstellar medium (ISM). We investigate the effects of the stellar wind on metal accretion onto low-mass PopIII stars because accretion of the local ISM onto the Sun is prevented by the solar wind, even for neutrals. The stellar wind and radiation of low-mass PopIII stars are modeled based on knowledge of nearby low-mass stellar systems, including our Sun. We find that low-mass PopIII stars traveling across the Galaxy form a stellar magnetosphere in most of their life. Once the magnetosphere is formed, most of the neutral interstellar particles are photoionized before reaching the stellar surface and are blown away by the wind. Especially, the accretion abundance of iron will be reduced by a factor of constraining the IMF of PopIII stars.

  17. A Linear Regression Model Identifying the Primary Factors Contributing to Maintenance Man Hours for the C-17 Globemaster III in the Air National Guard

    Science.gov (United States)

    2012-06-15

    correlations of the individual variables with each other in a one to one relationship. Variance Inflation Factor ( VIF ) analysis was also conducted to further...accuracy of the model.   31    VIF determines if the variances of the estimated coefficients in the regression model are inflated due to...larger the variance of bk (Simon, 2004). The VIF itself is comprised of the last portion of the equation: 1 1 According to Dr. Simon, VIF values

  18. Tracing the Mass during Low-Mass Star Formation. III. Models of the Submillimeter Dust Continuum Emission from Class 0 Protostars

    CERN Document Server

    Shirley, Y L; Shirley, Yancy L.; II, Neal J. Evans; Rawlings, Jonathan M. C.

    2002-01-01

    Seven Class 0 sources mapped with SCUBA at 850 and 450 micron are modeled using a one dimensional radiative transfer code. The modeling takes into account heating from an internal protostar, heating from the ISRF, realistic beam effects, and chopping to model the normalized intensity profile and spectral energy distribution. Power law density models, n(r) ~ r^{-p}, fit all of the sources; best fit values are mostly p = 1.8 +/- 0.1, but two sources with aspherical emission contours have lower values (p ~ 1.1). Including all sources, = 1.63 +/- 0.33. Based on studies of the sensitivity of the best-fit p to variations in other input parameters, uncertainties in p for an envelope model are \\Delta p = +/- 0.2. If an unresolved source (e.g., a disk) contributes 70% of the flux at the peak, p is lowered in this extreme case and \\Delta p = ^{+0.2}_{-0.6}. The models allow a determination of the internal luminosity ( = 4.0 \\lsun) of the central protostar as well as a characteristic dust temperature for mass determina...

  19. COLD GASS, an IRAM Legacy Survey of Molecular Gas in Massive Galaxies: III. Comparison with semi-analytic models of galaxy formation

    CERN Document Server

    Kauffmann, Guinevere; Fu, Jian; Saintonge, Amelie; Catinella, Barbara; Tacconi, Linda J; Kramer, Carsten; Genzel, Reinhard; Moran, Sean; Schiminovich, David

    2012-01-01

    We compare the semi-analytic models of galaxy formation of Fu et al. (2010), which track the evolution of the radial profiles of atomic and molecular gas in galaxies, with gas fraction scaling relations derived from the COLD GASS survey (Saintonge et al 2011). The models provide a good description of how condensed baryons in galaxies with gas are partitioned into stars, atomic and molecular gas as a function of galaxy stellar mass and surface density. The models do not reproduce the tight observed relation between stellar surface density and bulge-to-disk ratio for this population. We then turn to an analysis of the"quenched" population of galaxies without detectable cold gas. The current implementation of radio-mode feedback in the models disagrees strongly with the data. In the models, gas cooling shuts down in nearly all galaxies in dark matter halos above a mass of 10**12 M_sun. As a result, stellar mass is the observable that best predicts whether a galaxy has little or no neutral gas. In contrast, our d...

  20. Science based integrated approach to advanced nuclear fuel development - integrated multi-scale multi-physics hierarchical modeling and simulation framework Part III: cladding

    Energy Technology Data Exchange (ETDEWEB)

    Tome, Carlos N [Los Alamos National Laboratory; Caro, J A [Los Alamos National Laboratory; Lebensohn, R A [Los Alamos National Laboratory; Unal, Cetin [Los Alamos National Laboratory; Arsenlis, A [LLNL; Marian, J [LLNL; Pasamehmetoglu, K [INL

    2010-01-01

    Advancing the performance of Light Water Reactors, Advanced Nuclear Fuel Cycles, and Advanced Reactors, such as the Next Generation Nuclear Power Plants, requires enhancing our fundamental understanding of fuel and materials behavior under irradiation. The capability to accurately model the nuclear fuel systems to develop predictive tools is critical. Not only are fabrication and performance models needed to understand specific aspects of the nuclear fuel, fully coupled fuel simulation codes are required to achieve licensing of specific nuclear fuel designs for operation. The backbone of these codes, models, and simulations is a fundamental understanding and predictive capability for simulating the phase and microstructural behavior of the nuclear fuel system materials and matrices. In this paper we review the current status of the advanced modeling and simulation of nuclear reactor cladding, with emphasis on what is available and what is to be developed in each scale of the project, how we propose to pass information from one scale to the next, and what experimental information is required for benchmarking and advancing the modeling at each scale level.

  1. Development of a two-dimensional zonally averaged statistical-dynamical model. III - The parameterization of the eddy fluxes of heat and moisture

    Science.gov (United States)

    Stone, Peter H.; Yao, Mao-Sung

    1990-01-01

    A number of perpetual January simulations are carried out with a two-dimensional zonally averaged model employing various parameterizations of the eddy fluxes of heat (potential temperature) and moisture. The parameterizations are evaluated by comparing these results with the eddy fluxes calculated in a parallel simulation using a three-dimensional general circulation model with zonally symmetric forcing. The three-dimensional model's performance in turn is evaluated by comparing its results using realistic (nonsymmetric) boundary conditions with observations. Branscome's parameterization of the meridional eddy flux of heat and Leovy's parameterization of the meridional eddy flux of moisture simulate the seasonal and latitudinal variations of these fluxes reasonably well, while somewhat underestimating their magnitudes. New parameterizations of the vertical eddy fluxes are developed that take into account the enhancement of the eddy mixing slope in a growing baroclinic wave due to condensation, and also the effect of eddy fluctuations in relative humidity. The new parameterizations, when tested in the two-dimensional model, simulate the seasonal, latitudinal, and vertical variations of the vertical eddy fluxes quite well, when compared with the three-dimensional model, and only underestimate the magnitude of the fluxes by 10 to 20 percent.

  2. Kinetics of conversion of dihydroxyacetone to methylglyoxal in New Zealand mānuka honey: Part III--A model to simulate the conversion.

    Science.gov (United States)

    Grainger, Megan N C; Manley-Harris, Merilyn; Lane, Joseph R; Field, Richard J

    2016-07-01

    A kinetic model for the conversion of dihydroxyacetone (DHA) to methylglyoxal (MGO) in honey is proposed; a building block approach was used to create the model. Artificial honeys doped with DHA and individual perturbants were fitted first, then multiple perturbants (alanine, proline and iron, and combinations of these) were fitted before comparing the simulation to real honey samples (doped clover and mānuka honey). The main responses in the prediction model were DHA, MGO, proline, primary amino acids, acidity, 3-phenyllactic acid and 4-methoxyphenyllactic acid. Three temperatures (20, 27 and 37°C) were studied and the conversion of DHA to MGO was monitored over at least 1year. Differences in the conversion between clover doped with DHA and mānuka honey were observed. The simulation fitted well for the honeys tested.

  3. X-ray spectra from magnetar candidates - III. Fitting SGRs/AXPs soft X-ray emission with non-relativistic Monte Carlo models

    CERN Document Server

    Zane, S; Turolla, R; Nobili, L

    2009-01-01

    Within the magnetar scenario, the "twisted magnetosphere" model appears very promising in explaining the persistent X-ray emission from the Soft Gamma Repeaters and the Anomalous X-ray Pulsars (SGRs and AXPs). In the first two papers of the series, we have presented a 3D Monte Carlo code for solving radiation transport as soft, thermal photons emitted by the star surface are resonantly upscattered by the magnetospheric particles. A spectral model archive has been generated and implemented in XSPEC. Here we report on the systematic application of our spectral model to different XMM-Newton and Integral observations of SGRs and AXPs. We find that the synthetic spectra provide a very good fit to the data for the nearly all the source (and source states) we have analyzed.

  4. On the evolution of accretion disc flow in cataclysmic variables. III - Outburst properties of constant and uniform-alpha model discs

    Science.gov (United States)

    Lin, D. N. C.; Faulkner, J.; Papaloizou, J.

    1985-01-01

    Attention is given to the stability and evolution of some simple accretion disk models in which the viscosity is prescribed by an ad hoc, uniform-alpha model. Emphasis is placed on systems in which the mass input rate from the secondary to the disk around the primary is assumed to be constant, although initial calculations with variable mass input rates are also performed. Time-dependent visual magnitude light curves constructed for cataclysmic binaries with a range of disk size, primary mass and mass input rate, and viscosity magnitude, are compared with the observed properties of various cataclysmic variable subclasses. The results obtained indicate that the observational differences between novae and dwarf novae may be due to mass input rate differences. The present models can reproduce the gross observational features of U-Gem-type dwarf nova outbursts.

  5. Development of a Two-Dimensional Zonally Averaged Statistical-Dynamical Model. Part III: The Parameterization of the Eddy Fluxes of Heat and Moisture.

    Science.gov (United States)

    Stone, Peter H.; Yao, Mao-Sung

    1990-07-01

    A number of perpetual January simulations are carried out with a two-dimensional (2-D) zonally averaged model employing various parameterizations of the eddy fluxes of heat (potential temperature) and moisture. The parameterizations are evaluated by comparing these results with the eddy fluxes calculated in a parallel simulation using a three-dimensional (3-D) general circulation model with zonally symmetric forcing. The 3-D model's performance in turn is evaluated by comparing its results using realistic (nonsymmetric) boundary conditions with observations.Branscome's parameterization of the meridional eddy flux of heat and Leovy's parameterization of the meridional eddy flux of moisture simulate the seasonal and latitudinal variations of these fluxes reasonably well, while somewhat underestimating their magnitudes. In particular, Branscome's parameterization underestimates the vertically integrated flux of heat by about 30%, mainly because it misses out the secondary peak in this flux near the tropopause; and Leovy's parameterization of the meridional eddy flux of moisture underestimates the magnitude of this flux by about 20%. The analogous parameterizations of the vertical eddy fluxes of heat and moisture are found to perform much more poorly, i.e., they give fluxes only one quarter to one half as strong as those calculated in the 3-D model. New parameterizations of the vertical eddy fluxes are developed that take into account the enhancement of the eddy mixing slope in a growing baroclinic wave due to condensation, and also the effect of eddy fluctuations in relative humidity. The new parameterizations, when tested in the 2-D model, simulate the seasonal, latitudinal, and vertical variations of the vertical eddy fluxes quite well, when compared with the 3-D model, and only underestimate the magnitude of the fluxes by 10% to 20%.

  6. Variations on a theme - the evolution of hydrocarbon solids: III. Size-dependent properties - the optEC(s)(a) model

    CERN Document Server

    Jones, A P

    2015-01-01

    Context. The properties of hydrogenated amorphous carbon (a-C:H) dust evolve in response to the local radiation field in the interstellar medium and the evolution of these properties is particularly dependent upon the particle size. Aims. A model for finite-sized, low-temperature amorphous hydrocarbon particles, based on the microphysical properties of random and defected networks of carbon and hydrogen atoms, with surfaces passivated by hydrogen atoms, has been developed. Methods. The eRCN/DG and the optEC(s) models have been combined, adapted and extended into a new optEC(s)(a) model that is used to calculate the optical properties of hydrocarbon grain materials down into the sub-nanometre size regime, where the particles contain only a few tens of carbon atoms. Results. The optEC(s)(a) model predicts a continuity in properties from large to small (sub-nm) carbonaceous grains. Tabulated data of the size-dependent optical constants (from EUV to cm wavelengths) for a-C:H (nano-)particles as a function of the ...

  7. A Prospective, Randomized Trial of Intravenous Hydroxocobalamin Versus Whole Blood Transfusion Compared to No Treatment for Class III Hemorrhagic Shock Resuscitation in a Prehospital Swine Model

    Science.gov (United States)

    2015-03-01

    orrhagic shock in an adult swine (Sus Scrofa) model: a pilot study. Ann Emerg Med 2011;58:S241. 19. Eastridge BJ, Salinas J, Wade CE, Blackbourne LH... Carmona MJ. Evaluation of hemodynamic effects of xenon in dogs undergoing hemorrhagic shock. Clinics (Sao Paulo) 2013;68:231– 8. 69. Miller M, Keith J

  8. Examination of the Coordination Sphere of AlIII in Trifluoromethyl-Heteroarylalkenolato Complex Ions by Gas-Phase IRMPD Spectroscopy and Computational Modelling

    NARCIS (Netherlands)

    Bruckmann, L.; Tyrra, W.; Mathur, S.; G. Berden,; Oomens, J.; Meijer, Ajhm; Schafer, M.

    2012-01-01

    A series of aluminium complex ions with trifluoromethyl-heteroarylalkenolato (TMHA) ligands are studied by gas-phase infrared multiphoton-dissociation (IRMPD) spectroscopy and computational modelling. The selected series of aluminium TMHA complex ions are promising species for the initial study of i

  9. Examination of the coordination sphere of AlIII in trifluoromethyl-heteroarylalkenolato complex ions by gas-phase IRMPD spectroscopy and computational modelling

    NARCIS (Netherlands)

    L. Brueckmann; W. Tyrra; S. Mathur; G. Berden; J. Oomens; A.J.H.M. Meijer; M. Schaefer

    2012-01-01

    A series of aluminium complex ions with trifluoromethyl-heteroarylalkenolato (TMHA) ligands are studied by gas-phase infrared multiphoton-dissociation (IRMPD) spectroscopy and computational modelling. The selected series of aluminium TMHA complex ions are promising species for the initial study of i

  10. A nonlinear electrophoretic model for PeakMaster: part III. Electromigration dispersion in systems that contain a neutral complex-forming agent and a fully charged analyte. Theory.

    Science.gov (United States)

    Hruška, Vlastimil; Svobodová, Jana; Beneš, Martin; Gaš, Bohuslav

    2012-12-07

    We introduce a new nonlinear electrophoretic model for complex-forming systems with a fully charged analyte and a neutral ligand. The background electrolyte is supposed to be composed of two constituents, which do not interact with the ligand. In order to characterize the electromigration dispersion (EMD) of the analyte zone we define a new parameter, the nonlinear electromigration mobility slope, S(EMD,A). The parameter can be easily utilized for quantitative prediction of the EMD and for comparisons of the model with the simulated and experimental profiles. We implemented the model to the new version of PeakMaster 5.3 Complex that can calculate some characteristic parameters of the electrophoretic system and can plot the dependence of S(EMD,A) on the concentration of the ligand. Besides S(EMD,A), also the relative velocity slope, S(X), can be calculated. It is commonly used as a measure of EMD in electrophoretic systems. PeakMaster 5.3 Complex software can be advantageously used for optimization of the separation conditions to avoid high EMD in complexing systems. Based on the theoretical model we analyze the S(EMD,A) and reveal that this parameter is composed of six terms. We show that the major factor responsible for the electromigration dispersion in complex-forming electrophoretic systems is the complexation equilibrium and particularly its impact on the effective mobility of the analyte. To prove the appropriateness of the model we showed that there is a very good agreement between peak shapes calculated by PeakMaster 5.3 Complex (plotted using the HVLR function) and the profiles simulated by means of Simul 5 Complex. The detailed experimental verification of the new mode of PeakMaster 5.3 Complex is in the next part IV of the series.

  11. Characterization of Fe (III)-reducing enrichment culture and isolation of Fe (III)-reducing bacterium Enterobacter sp. L6 from marine sediment.

    Science.gov (United States)

    Liu, Hongyan; Wang, Hongyu

    2016-07-01

    To enrich the Fe (III)-reducing bacteria, sludge from marine sediment was inoculated into the medium using Fe (OH)3 as the sole electron acceptor. Efficiency of Fe (III) reduction and composition of Fe (III)-reducing enrichment culture were analyzed. The results indicated that the Fe (III)-reducing enrichment culture with the dominant bacteria relating to Clostridium and Enterobacter sp. had high Fe (III) reduction of (2.73 ± 0.13) mmol/L-Fe (II). A new Fe (III)-reducing bacterium was isolated from the Fe (III)-reducing enrichment culture and identified as Enterobacter sp. L6 by 16S rRNA gene sequence analysis. The Fe (III)-reducing ability of strain L6 under different culture conditions was investigated. The results indicated that strain L6 had high Fe (III)-reducing activity using glucose and pyruvate as carbon sources. Strain L6 could reduce Fe (III) at the range of NaCl concentrations tested and had the highest Fe (III) reduction of (4.63 ± 0.27) mmol/L Fe (II) at the NaCl concentration of 4 g/L. This strain L6 could reduce Fe (III) with unique properties in adaptability to salt variation, which indicated that it can be used as a model organism to study Fe (III)-reducing activity isolated from marine environment.

  12. Constraining the Statistics of Population III Binaries

    Science.gov (United States)

    Stacy, Athena; Bromm, Volker

    2012-01-01

    We perform a cosmological simulation in order to model the growth and evolution of Population III (Pop III) stellar systems in a range of host minihalo environments. A Pop III multiple system forms in each of the ten minihaloes, and the overall mass function is top-heavy compared to the currently observed initial mass function in the Milky Way. Using a sink particle to represent each growing protostar, we examine the binary characteristics of the multiple systems, resolving orbits on scales as small as 20 AU. We find a binary fraction of approx. 36, with semi-major axes as large as 3000 AU. The distribution of orbital periods is slightly peaked at approx. < 900 yr, while the distribution of mass ratios is relatively flat. Of all sink particles formed within the ten minihaloes, approx. 50 are lost to mergers with larger sinks, and 50 of the remaining sinks are ejected from their star-forming disks. The large binary fraction may have important implications for Pop III evolution and nucleosynthesis, as well as the final fate of the first stars.

  13. The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: Modeling the clustering and halo occupation distribution of BOSS-CMASS galaxies in the Final Data Release

    CERN Document Server

    Rodríguez-Torres, Sergio A; Chuang, Chia-Hsun; Guo, Hong; Klypin, Anatoly; Behroozi, Peter; Hahn, Chang Hoon; Comparat, Johan; Yepes, Gustavo; Montero-Dorta, Antonio D; Brownstein, Joel R; Maraston, Claudia; McBride, Cameron K; Tinker, Jeremy; Gottlöber, Stefan; Favole, Ginevra; Shu, Yiping; Kitaura, Francisco-Shu; Bolton, Adam; Scoccimarro, Román; Samushia, Lado; Schlegel, David; Schneider, Donald P; Thomas, Daniel

    2015-01-01

    We present a study of the clustering and halo occupation distribution of BOSS CMASS galaxies in the redshift range 0.43 < z < 0.7 drawn from the Final SDSS-III Data Release. We compare the BOSS results with the predictions of a halo abundance matching (HAM) clustering model that assigns galaxies to dark matter halos selected from the large BigMultiDark N-body simulation of a flat $\\Lambda$CDM Planck cosmology. We compare the observational data with the simulated ones on a light-cone constructed from 20 subsequent outputs of the simulation. Observational effects such as incompleteness, geometry, veto masks and fiber collisions are included in the model, which reproduces within 1-$\\sigma$ errors the observed monopole of the 2-point correlation function at all relevant scales{: --} from the smallest scales, 0.5 $h^{-1}$Mpc , up to scales beyond the Baryonic Acoustic Oscillation feature. This model also agrees remarkably well with the BOSS galaxy power spectrum (up to $k\\sim1$ $h$ Mpc$^{-1}$), and the three...

  14. Spread of excitation in 3-D models of the anisotropic cardiac tissue. III. Effects of ventricular geometry and fiber structure on the potential distribution.

    Science.gov (United States)

    Colli Franzone, P; Guerri, L; Pennacchio, M; Taccardi, B

    1998-07-01

    In a previous paper we studied the spread of excitation in a simplified model of the left ventricle, affected by fiber structure and obliqueness, curvature of the wall and Purkinje network. In the present paper we investigate the extracellular potential distribution u in the same ventricular model. Given the transmembrane potential v, associated with the spreading excitation, the extracellular potential u is obtained as solution of a linear elliptic equation with the source term related to v. The potential distributions were computed for point stimulations at different intramural depths. The results of the simulations enabled us to identify a number of common features which appears in all the potential patterns irrespective of pacing site. In addition, by splitting the sources into an axial and conormal component, we were able to evaluate the contribution of the classical uniform dipole layer to the total potential field and the role of the superimposed axial component.

  15. Modeling the effect of charge density in the active layers of reverse osmosis and nanofiltration membranes on the rejection of arsenic(III) and potassium iodide.

    Science.gov (United States)

    Coronell, Orlando; Mi, Baoxia; Mariñas, Benito J; Cahill, David G

    2013-01-02

    We used an extended solution-diffusion model that incorporates Donnan electrostatic exclusion of ions and unhindered advection due to imperfections, and measurements of charge density in the polyamide active layers of reverse osmosis (RO) and nanofiltration (NF) membranes, to predict the rejection of a strong electrolyte (i.e., potassium iodide) and a weak acid (i.e., arsenious acid) as a function of the pH of the feed aqueous solution. Predictions of solute rejection were in agreement with experimental data indicating that (i) the extended solution-diffusion model taking into account Donnan exclusion and unhindered advection due to imperfections satisfactorily describes the effect of pH on solute rejection by RO/NF membranes and (ii) measurement of charge density in active layers provides a valuable characterization of RO/NF membranes. Our results and analysis also indicate that independent ions, and not ion pairs, dominate the permeation of salts.

  16. 3D models of radiatively driven colliding winds in massive O+O star binaries - III. Thermal X-ray emission

    CERN Document Server

    Pittard, J M

    2009-01-01

    The X-ray emission from the wind-wind collision in short-period massive O+O-star binaries is investigated. The emission is calculated from three-dimensional hydrodynamical models which incorporate gravity, the driving of the winds, orbital motion of the stars, and radiative cooling of the shocked plasma. Changes in the amount of stellar occultation and circumstellar attenuation introduce phase-dependent X-ray variability in systems with circular orbits, while strong variations in the intrinsic emission also occur in systems with eccentric orbits. The X-ray emission in eccentric systems can display strong hysteresis, with the emission softer after periastron than at corresponding orbital phases prior to periastron, reflecting the physical state of the shocked plasma at these times. Furthermore, the rise of the luminosity to maximum does not necessarily follow a 1/D law. Our models further demonstrate that the effective circumstellar column can be highly energy dependent. We simulate Chandra and Suzaku observat...

  17. Atmospheric NLTE-Models for the Spectroscopic Analysis of Blue Stars with Winds. III. X-ray emission from wind-embedded shocks

    CERN Document Server

    Carneiro, Luiz P; Sundqvist, J O; Hoffmann, T L

    2016-01-01

    X-rays/EUV radiation emitted from wind-embedded shocks in hot, massive stars can affect the ionization balance in their outer atmospheres, and can be the mechanism responsible for the production of highly ionized species. To allow for these processes in the context of spectral analysis, we have implemented such emission into our unified, NLTE model atmosphere/spectrum synthesis code FASTWIND. The shock structure and corresponding emission is calculated as a function of user-supplied parameters. We account for a temperature and density stratification inside the post-shock cooling zones, calculated for radiative and adiabatic cooling in the inner and outer wind, respectively. The high-energy absorption of the cool wind is considered by adding important K-shell opacities, and corresponding Auger ionization rates have been included into the NLTE network. We tested and verified our implementation carefully against corresponding results from various alternative model atmosphere codes, and studied the effects from s...

  18. The Practicability of a Novel Prognostic Index (PI Model and Comparison with Nottingham Prognostic Index (NPI in Stage I-III Breast Cancer Patients Undergoing Surgical Treatment.

    Directory of Open Access Journals (Sweden)

    Jiahuai Wen

    Full Text Available Previous studies have indicated the prognostic value of various laboratory parameters in cancer patients. This study was to establish a prognostic index (PI model for breast cancer patients based on the potential prognostic factors.A retrospective study of 1661 breast cancer patients who underwent surgical treatment between January 2002 and December 2008 at Sun Yat-sen University Cancer Center was conducted. Multivariate analysis (Cox regression model was performed to determine the independent prognostic factors and a prognostic index (PI model was devised based on these factors. Survival analyses were used to estimate the prognostic value of PI, and the discriminatory ability of PI was compared with Nottingham Prognostic Index (NPI by evaluating the area under the receiver operating characteristics curves (AUC.The mean survival time of all participants was 123.6 months. The preoperative globulin >30.0g/L, triglyceride >1.10mmol/L and fibrinogen >2.83g/L were identified as risk factors for shorter cancer-specific survival. The novel prognostic index model was established and enrolled patients were classified as low- (1168 patients, 70.3%, moderate- (410 patients, 24.7% and high-risk groups (83 patients, 5.0%, respectively. Compared with the low-risk group, higher risks of poor clinical outcome were indicated in the moderate-risk group [Hazard ratio (HR: 1.513, 95% confidence interval (CI: 1.169-1.959, p = 0.002] and high-risk group (HR: 2.481, 95%CI: 1.653-3.724, p< 0.001.The prognostic index based on three laboratory parameters was a novel and practicable prognostic tool. It may serve as complement to help predict postoperative survival in breast cancer patients.

  19. The SL2S Galaxy-scale Lens Sample. III. Lens Models, Surface Photometry and Stellar Masses for the final sample

    CERN Document Server

    Sonnenfeld, Alessandro; Suyu, Sherry H; Treu, Tommaso; Marshall, Philip J

    2013-01-01

    We present Hubble Space Telescope (HST) imaging data and CFHT Near IR ground-based images for the final sample of 56 candidate galaxy-scale lenses uncovered in the CFHT Legacy Survey as part of the Strong Lensing in the Legacy Survey (SL2S) project. The new images are used to perform lens modeling, measure surface photometry, and estimate stellar masses of the deflector early-type galaxies. Lens modeling is performed on the HST images (or CFHT when HST is not available) by fitting the spatially extended light distribution of the lensed features assuming a singular isothermal ellipsoid mass profile and by reconstructing the intrinsic source light distribution on a pixelized grid. Based on the analysis of systematic uncertainties and comparison with inference based on different methods we estimate that our Einstein Radii are accurate to \\sim3%. HST imaging provides a much higher success rate in confirming gravitational lenses and measuring their Einstein radii than CFHT imaging does. Lens modeling with ground-b...

  20. Scalable, sustainable cost-effective surgical care: a model for safety and quality in the developing world, part III: impact and sustainability.

    Science.gov (United States)

    Campbell, Alex; Restrepo, Carolina; Mackay, Don; Sherman, Randy; Varma, Ajit; Ayala, Ruben; Sarma, Hiteswar; Deshpande, Gaurav; Magee, William

    2014-09-01

    The Guwahati Comprehensive Cleft Care Center (GCCCC) utilizes a high-volume, subspecialized institution to provide safe, quality, and comprehensive and cost-effective surgical care to a highly vulnerable patient population. The GCCCC utilized a diagonal model of surgical care delivery, with vertical inputs of mission-based care transitioning to investments in infrastructure and human capital to create a sustainable, local care delivery system. Over the first 2.5 years of service (May 2011-November 2013), the GCCCC made significant advances in numerous areas. Progress was meticulously documented to evaluate performance and provide transparency to stakeholders including donors, government officials, medical oversight bodies, employees, and patients. During this time period, the GCCCC provided free operations to 7,034 patients, with improved safety, outcomes, and multidisciplinary services while dramatically decreasing costs and increasing investments in the local community. The center has become a regional referral cleft center, and governments of surrounding states have contracted the GCCCC to provide care for their citizens with cleft lip and cleft palate. Additional regional and global impact is anticipated through continued investments into education and training, comprehensive services, and research and outcomes. The success of this public private partnership demonstrates the value of this model of surgical care in the developing world, and offers a blueprint for reproduction. The GCCCC experience has been consistent with previous studies demonstrating a positive volume-outcomes relationship, and provides evidence for the value of the specialty hospital model for surgical delivery in the developing world.

  1. PREFACE: Quantum Optics III

    Science.gov (United States)

    Orszag, M.; Retamal, J. C.; Saavedra, C.; Wallentowitz, S.

    2007-06-01

    All the 50 years of conscious pondering did not bring me nearer to an answer to the question `what is light quanta?'. Nowadays, every rascal believes, he knows it, however, he is mistaken. (A Einstein, 1951 in a letter to M Besso) Quantum optics has played a key role in physics in the last several decades. On the other hand, in these early decades of the information age, the flow of information is becoming more and more central to our daily life. Thus, the related fields of quantum information theory as well as Bose-Einstein condensation have acquired tremendous importance in the last couple of decades. In Quantum Optics III, a fusion of these fields appears in a natural way. Quantum Optics III was held in Pucón, Chile, in 27-30 of November, 2006. This beautiful location in the south of Chile is near the lake Villarrica and below the snow covered volcano of the same name. This fantastic environment contributed to a relaxed atmosphere, suitable for informal discussion and for the students to have a chance to meet the key figures in the field. The previous Quantum Optics conferences took place in Santiago, Chile (Quantum Optics I, 2000) and Cozumel, Mexico (Quantum Optics II, 2004). About 115 participants from 19 countries attended and participated in the meeting to discuss a wide variety of topics such as quantum-information processing, experiments related to non-linear optics and squeezing, various aspects of entanglement including its sudden death, correlated twin-photon experiments, light storage, decoherence-free subspaces, Bose-Einstein condensation, discrete Wigner functions and many more. There was a strong Latin-American participation from Argentina, Brazil, Chile, Colombia, Peru, Uruguay, Venezuela and Mexico, as well as from Europe, USA, China, and Australia. New experimental and theoretical results were presented at the conference. In Latin-America a quiet revolution has taken place in the last twenty years. Several groups working in quantum optics and

  2. Atmospheric NLTE models for the spectroscopic analysis of blue stars with winds. III. X-ray emission from wind-embedded shocks

    Science.gov (United States)

    Carneiro, L. P.; Puls, J.; Sundqvist, J. O.; Hoffmann, T. L.

    2016-05-01

    Context. Extreme ultraviolet (EUV) and X-ray radiation emitted from wind-embedded shocks in hot, massive stars can affect the ionization balance in their outer atmospheres and can be the mechanism responsible for producing highly ionized atomic species detected in stellar wind UV spectra. Aims: To allow for these processes in the context of spectral analysis, we have implemented the emission from wind-embedded shocks and related physics into our unified, NLTE model atmosphere/spectrum synthesis code FASTWIND. Methods: The shock structure and corresponding emission is calculated as a function of user-supplied parameters (volume filling factor, radial stratification of shock strength, and radial onset of emission). We account for a temperature and density stratification inside the postshock cooling zones, calculated for radiative and adiabatic cooling in the inner and outer wind, respectively. The high-energy absorption of the cool wind is considered by adding important K-shell opacities, and corresponding Auger ionization rates have been included in the NLTE network. To test our implementation and to check the resulting effects, we calculated a comprehensive model grid with a variety of X-ray emission parameters. Results: We tested and verified our implementation carefully against corresponding results from various alternative model atmosphere codes, and studied the effects from shock emission for important ions from He, C, N, O, Si, and P. Surprisingly, dielectronic recombination turned out to play an essential role for the ionization balance of O iv/O v (particularly in dwarfs with Teff~ 45 000 K). Finally, we investigated the frequency dependence and radial behavior of the mass absorption coefficient, κν(r), which is important in the context of X-ray line formation in massive star winds. Conclusions: In almost all of the cases considered, direct ionization is of major influence because of the enhanced EUV radiation field, and Auger ionization only affects N vi

  3. Numerical modelling of the turbulent flow developing within and over a 3-d building array, part iii: a istributed drag force approach, its implementation and application

    Science.gov (United States)

    Lien, Fue-Sang; Yee, Eugene

    A modified k- model is used for the simulation of the mean wind speed and turbulence for a neutrally-stratified flow through and over a building array, where the array is treated as a porous medium with the drag on the unresolved buildings in the array represented by a distributed momentum sink. More specifically, this model is based on time averaging the spatially averaged Navier-Stokes equation, in which the effects of the obstacle-atmosphere interaction are included through the introduction of a distributed mean-momentum sink (representing drag on the unresolved buildings in the array). In addition, closure of the time-averaged, spatially averaged Navier-Stokes equation requires two additional prognostic equations, namely one for the time-averaged resolved-scale kinetic energy of turbulence,, and another for its dissipation rate, . The performance of the proposed model and some simplified versions derived from it is compared with the spatially averaged, time-mean velocity and various spatially averaged Reynolds stresses diagnosed from a high-resolution computational fluid dynamics (CFD) simulation of the flow within and over an aligned array of sharp-edged cubes with a plan area density of 0.25. Four different methods for diagnosis of the drag coefficient CDfor the aligned cube array, required for the volumetric drag force representation of the cubes, are investigated here. We found that the model predictions for mean wind speed and turbulence in the building array were not sensitive to the differing treatments of the source and sink terms in the and equations (e.g., inclusion of only the `zeroth-order'' approximation for the source/sink terms compared with inclusion of a higher-order approximation for the source/sink terms in the and equations), implying that the higher-order approximations of these source/sink terms did not offer any predictive advantage. A possible explanation for this is the utilization of the Boussinesq linear stress-strain constitutive

  4. Where are the low mass Pop III stars ?

    CERN Document Server

    Ishiyama, Tomoaki; Yokoi, Shingo; Hasegawa, Kenji; Tominaga, Nozomu; Susa, Hajime

    2016-01-01

    We study the number and the distribution of low mass Pop III stars in the Milky Way. In our numerical model, hierarchical formation of dark matter minihalos and Milky Way sized halos are followed by a high resolution cosmological simulation, which can predict the spatial distribution of Pop III survivors in the Milky Way. We model the Pop III formation in H$_2$ cooling minihalos without metal under UV radiation of the Lyman-Werner bands. Assuming a Kroupa IMF from 0.15 to 1.0 Msun for low mass Pop III stars, as a working hypothesis, we try to constrain the theoretical models in reverse by current and future observations. We find that the number of survivors is proportional to the halo mass and the number of Pop III per minihalo. Thus, the distribution of survivors reflects that of dark matter and the survivors tend to concentrate on the center of halo and subhalos. We also evaluate the observability of Pop III survivors in the Milky Way and dwarf galaxies, and constraints on the number of Pop III survivors pe...

  5. Where are the Low-mass Population III Stars?

    Science.gov (United States)

    Ishiyama, Tomoaki; Sudo, Kae; Yokoi, Shingo; Hasegawa, Kenji; Tominaga, Nozomu; Susa, Hajime

    2016-07-01

    We study the number and the distribution of low-mass Population III (Pop III) stars in the Milky Way. In our numerical model, hierarchical formation of dark matter minihalos and Milky-Way-sized halos are followed by a high-resolution cosmological simulation. We model the Pop III formation in H2 cooling minihalos without metal under UV radiation of the Lyman-Werner bands. Assuming a Kroupa initial mass function (IMF) from 0.15 to 1.0 M ⊙ for low-mass Pop III stars, as a working hypothesis, we try to constrain the theoretical models in reverse by current and future observations. We find that the survivors tend to concentrate on the center of halo and subhalos. We also evaluate the observability of Pop III survivors in the Milky Way and dwarf galaxies, and constraints on the number of Pop III survivors per minihalo. The higher latitude fields require lower sample sizes because of the high number density of stars in the galactic disk, the required sample sizes are comparable in the high- and middle-latitude fields by photometrically selecting low-metallicity stars with optimized narrow-band filters, and the required number of dwarf galaxies to find one Pop III survivor is less than 10 at <100 kpc for the tip of red giant stars. Provided that available observations have not detected any survivors, the formation models of low-mass Pop III stars with more than 10 stars per minihalo are already excluded. Furthermore, we discuss the way to constrain the IMF of Pop III stars at a high mass range of ≳10 M ⊙.

  6. A Flow Model for the Settling Velocities of Non Spherical Particles in Creeping Motion. Part III. Slender Bodies, the Stream Functions, the Flow and the Momentum Equation

    Directory of Open Access Journals (Sweden)

    Yuri Mendez

    2015-01-01

    Full Text Available This paper follows previous work regarding the settling velocity of non spherical particles in creeping motion. In this paper, we summarize the flow model, present solutions for the slender plate and the cylinder (Stoke’s paradox, demonstrate the application for euhedral pseudo hexagonal plates (KGa-1 and show the match to the experimental data. In addition, we derive the stream function for the sphere, the slender cylinder and the plate, develop the relationships to compute the flow about a settling particle, back calculate the momentum equation and examine the result

  7. One-dimensional lattices topologically equivalent to two-dimensional lattices within the context of the lattice gas model, III. The hexagonal lattice

    Science.gov (United States)

    Costanza, E. F.; Costanza, G.

    2017-02-01

    Continuum partial differential equations are obtained from a set of discrete stochastic evolution equations of both non-Markovian and Markovian processes and applied to the diffusion within the context of the lattice gas model. A procedure allowing to construct one-dimensional lattices that are topologically equivalent to two-dimensional lattices is described in detail in the case of a hexagonal lattice which has the particular feature that need four types of dynamical variables. This example shows additional features to the general procedure and some extensions are also suggested in order to provide a wider insight in the present approach.

  8. The 2.35 year itch of Cygnus OB2#9 III. X-ray and radio emission analysis based on three dimensional hydrodynamical modelling

    CERN Document Server

    Parkin, E R; Nazé, Y; Blomme, R

    2014-01-01

    X-ray and radio data recently acquired as part of a project to study Cyg OB2#9 are used to constrain physical models of the binary system, providing in-depth knowledge about the wind-wind collision and the thermal, and non-thermal, emission arising from the shocks. We use a three-dimensional, adaptive mesh refinement simulation (including wind acceleration, radiative cooling, and the orbital motion of the stars) to model the gas dynamics of the wind-wind collision. The simulation output is used as the basis for radiative transfer calculations considering the thermal X-ray emission and the thermal/non-thermal radio emission. To obtain good agreement with the X-ray observations, our initial mass-loss rate estimates require a down-shift by a factor of roughly 7.7 to $6.5\\times10^{-7}$ and $7.5\\times10^{-7}$ solar mass per year for the primary and secondary star, respectively. Furthermore, the low gas densities and high shock velocities in Cyg OB2#9 are suggestive of unequal electron and ion temperatures, and the...

  9. VopE, a Vibrio cholerae Type III Effector, Attenuates the Activation of CWI-MAPK Pathway in Yeast Model System

    Science.gov (United States)

    Bankapalli, Leela K.; Mishra, Rahul C.; Raychaudhuri, Saumya

    2017-01-01

    VopE, a mitochondrial targeting T3SS effector protein of Vibrio cholerae, perturbs innate immunity by modulating mitochondrial dynamics. In the current study, ectopic expression of VopE was found to be toxic in a yeast model system and toxicity was further aggravated in the presence of various stressors. Interestingly, a VopE variant lacking predicted mitochondrial targeting sequence (MTS) also exhibited partial lethality in the yeast system. With the aid of yeast genetic tools and different stressors, we have demonstrated that VopE and its derivative VopEΔMTS modulate cell wall integrity (CWI-MAPK) signaling pathway and have identified several critical residues contributing to the lethality of VopE. Furthermore, co-expression of two effectors VopEΔMTS and VopX, interfering with the CWI-MAPK cellular pathway can partially suppress the VopX mediated yeast growth inhibition. Taken together, these results suggest that VopE alters signaling through the CWI-MAPK pathway, and demonstrates the usefulness of yeast model system to gain additional insights on the functionality of VopE. PMID:28373966

  10. The Clustering of Galaxies in the Completed SDSS-III Baryon Oscillation Spectroscopic Survey: single-probe measurements from DR12 galaxy clustering -- towards an accurate model

    CERN Document Server

    Chuang, Chia-Hsun; Rodríguez-Torres, Sergio; Ross, Ashley J; Zhao, Gong-bo; Wang, Yuting; Cuesta, Antonio J; Rubiño-Martín, J A; Prada, Francisco; Alam, Shadab; Beutler, Florian; Eisenstein, Daniel J; Gil-Marín, Héctor; Grieb, Jan Niklas; Ho, Shirley; Kitaura, Francisco-Shu; Percival, Will J; Rossi, Graziano; Salazar-Albornoz, Salvador; Samushia, Lado; Sánchez, Ariel G; Satpathy, Siddharth; Slosar, Anže; Tinker, Jeremy L; Tojeiro, Rita; Vargas-Magaña, Mariana; Vazquez, Jose A; Brownstein, Joel R; Nichol, Robert C; Olmstead, Matthew D

    2016-01-01

    We analyse the broad-range shape of the monopole and quadrupole correlation functions of the BOSS Data Release 12 (DR12) CMASS and LOWZ galaxy sample to obtain constraints on the Hubble expansion rate $H(z)$, the angular-diameter distance $D_A(z)$, the normalised growth rate $f(z)\\sigma_8(z)$, and the physical matter density $\\Omega_mh^2$. We adopt wide and flat priors on all model parameters in order to ensure the results are those of a `single-probe' galaxy clustering analysis. We also marginalise over three nuisance terms that account for potential observational systematics affecting the measured monopole. However, such Monte Carlo Markov Chain analysis is computationally expensive for advanced theoretical models, thus we develop a new methodology to speed up our analysis. We obtain $\\{D_A(z)r_{s,fid}/r_s$Mpc, $H(z)r_s/r_{s,fid}$kms$^{-1}$Mpc$^{-1}$, $f(z)\\sigma_8(z)$, $\\Omega_m h^2\\}$ = $\\{956\\pm28$ , $75.0\\pm4.0$ , $0.397 \\pm 0.073$, $0.143\\pm0.017\\}$ at $z=0.32$ and $\\{1421\\pm23$, $96.7\\pm2.7$ , $0.497 ...

  11. Tests of stellar model atmospheres by optical interferometry III: NPOI and VINCI interferometry of the M0 giant gamma Sge covering 0.5 - 2.2 microns

    CERN Document Server

    Wittkowski, M; Aufdenberg, J P; Roccatagliata, V

    2006-01-01

    Aims: We present a comparison of the visual and NIR intensity profile of the M0 giant gamma Sagittae to plane-parallel ATLAS 9 as well as to plane-parallel & spherical PHOENIX model atmospheres. Methods: We use previously described visual interferometric data obtained with the NPOI in July 2000. We apply the recently developed technique of coherent integration, and thereby obtain visibility data of more spectral channels and with higher precision than before. In addition, we employ new measurements of the K-band diameter of gamma Sagittae obtained with the instrument VINCI at the VLTI in 2002. Results: The spherical PHOENIX model leads to a precise definition of the Rosseland angular diameter and a consistent high-precision diameter value for our NPOI and VLTI/VINCI data sets of Theta_Ross=6.06 pm 0.02 mas, with the Hipparcos parallax corresponding to R_Ross=55 pm 4 R_sun, and with the bolometric flux corresponding to an effective temperature T_eff=3805 pm 55 K. Our visual visibility data close to the fir...

  12. HiRISE observations of gas sublimation-driven activity in Mars' southern polar regions: III. Models of processes involving translucent ice

    Science.gov (United States)

    Portyankina, G.; Markiewicz, W.J.; Thomas, N.; Hansen, C.J.; Milazzo, M.

    2010-01-01

    Enigmatic surface features, known as 'spiders', found at high southern martian latitudes, are probably caused by sublimation-driven erosion under the seasonal carbon dioxide ice cap. The Mars Reconnaissance Orbiter (MRO) High Resolution Imaging Science Experiment (HiRISE) has imaged this terrain in unprecedented details throughout southern spring. It has been postulated [Kieffer, H.H., Titus, T.N., Mullins, K.F., Christensen, P.R., 2000. J. Geophys. Res. 105, 9653-9700] that translucent CO2 slab ice traps gas sublimating at the ice surface boundary. Wherever the pressure is released the escaping gas jet entrains loose surface material and carries it to the top of the ice where it is carried downslope and/or downwind and deposited in a fan shape. Here we model two stages of this scenario: first, the cleaning of CO2 slab ice from dust, and then, the breaking of the slab ice plate under the pressure built below it by subliming ice. Our modeling results and analysis of HiRISE images support the gas jet hypothesis and show that outbursts happen very early in spring. ?? 2009 Elsevier Inc. All rights reserved.

  13. Physical Properties of Spectroscopically-Confirmed Galaxies at $z\\ge6$. III. Stellar Populations from SED Modeling with Secure Ly$\\alpha$ Emission and Redshifts

    CERN Document Server

    Jiang, Linhua; Cohen, Seth H; Egami, Eiichi; Windhorst, Rogier A; Fan, Xiaohui; Dave, Romeel; Kashikawa, Nobunari; Mechtley, Matthew; Ouchi, Masami; Shimasaku, Kazuhiro; Clement, Benjamin

    2015-01-01

    We present a study of stellar populations in a sample of spectroscopically-confirmed Lyman-break galaxies (LBGs) and Ly$\\alpha$ emitters (LAEs) at $5.7models based on the multi-band data and secure redshifts. By incorporating nebular emission estimated from the observed Ly$\\alpha$ flux, we are able to break the strong degeneracy of model spectra between young galaxies with prominent nebular emission and older galaxies with strong Balmer breaks. The results show that our galaxies cover a wide range of ages from several to a few hundred million years (Myr), and a wide range of stellar masses from $\\sim10^8$ to $\\sim10^{11}$ $M_{\\odot}$. These galaxies can be roughly divided into an `old' subsample and a `young' subsample. The `old' subsample consists of galaxies older than 100 Myr,...

  14. Antisites in III-V semiconductors: Density functional theory calculations

    KAUST Repository

    Chroneos, A.

    2014-07-14

    Density functional based simulation, corrected for finite size effects, is used to investigate systematically the formation of antisite defects in III-V semiconductors (III=Al, Ga, and In and V=P, As, and Sb). Different charge states are modelled as a function of the Fermi level and under different growth conditions. The formation energies of group III antisites (III V q) decrease with increasing covalent radius of the group V atom though not group III radius, whereas group V antisites (V I I I q) show a consistent decrease in formation energies with increase in group III and group V covalent radii. In general, III V q defects dominate under III-rich conditions and V I I I q under V-rich conditions. Comparison with equivalent vacancy formation energy simulations shows that while antisite concentrations are always dominant under stoichiometric conditions, modest variation in growth or doping conditions can lead to a significantly higher concentration of vacancies. © 2014 AIP Publishing LLC.

  15. A New Multi-Dimensional General Relativistic Neutrino Hydrodynamics Code of Core-Collapse Supernovae III. Gravitational Wave Signals from Supernova Explosion Models

    CERN Document Server

    Mueller, Bernhard; Marek, Andreas

    2012-01-01

    We present a detailed theoretical analysis of the gravitational-wave (GW) signal of the post-bounce evolution of core-collapse supernovae (SNe), employing for the first time relativistic, two-dimensional (2D) explosion models with multi-group, three-flavor neutrino transport based on the ray-by-ray-plus approximation. The waveforms reflect the accelerated mass motions associated with the characteristic evolutionary stages that were also identified in previous works: A quasi-periodic modulation by prompt postshock convection is followed by a phase of relative quiescence before growing amplitudes signal violent hydrodynamical activity due to convection and the standing accretion shock instability during the accretion period of the stalled shock. Finally, a high-frequency, low-amplitude variation from proto-neutron star (PNS) convection below the neutrinosphere appears superimposed on the low-frequency trend associated with the aspherical expansion of the SN shock after the onset of the explosion. Relativistic e...

  16. A stochastic Monte Carlo approach to model real star cluster evolution, III. Direct integrations of three- and four-body interactions

    CERN Document Server

    Giersz, M

    2003-01-01

    Spherically symmetric equal mass star clusters containing a large amount of primordial binaries are studied using a hybrid method, consisting of a gas dynamical model for single stars and a Monte Carlo treatment for relaxation of binaries and the setup of close resonant and fly-by encounters of single stars with binaries and binaries with each other (three- and four-body encounters). What differs from our previous work is that each encounter is being integrated using a highly accurate direct few-body integrator which uses regularized variables. Hence we can study the systematic evolution of individual binary orbital parameters (eccentricity, semi-major axis) and differential and total cross sections for hardening, dissolution or merging of binaries (minimum distance) from a sampling of several ten thousands of scattering events as they occur in real cluster evolution including mass segregation of binaries, gravothermal collapse and reexpansion, binary burning phase and ultimately gravothermal oscillations. Fo...

  17. Dimeric Fe (II, III) complex of quinoneoxime as functional model of PAP enzyme: Moessbauer, magneto-structural and DNA cleavage studies

    Energy Technology Data Exchange (ETDEWEB)

    Salunke-Gawali, Sunita; Ahmed, Khursheed [University of Pune, Department of Chemistry (India); Varret, Francois; Linares, Jorge [Universite de Versailles, Laboratoire de Magnetisme et d' Optique, CNRS, UMR 8634 (France); Zaware, Santosh [University of Pune, Department of Chemistry (India); Date, Sadgopal [University of Pune, Department of Physics (India); Rane, Sandhya, E-mail: syrane@chem.unipune.ernet.in [University of Pune, Department of Chemistry (India)

    2008-07-15

    Purple acid phosphatase, (PAP), is known to contain dinuclear Fe{sub 2}{sup +2,+3} site with characteristic Fe{sup +3} <- Tyr ligand to metal charge transfer in coordination. Phthiocoloxime (3-methyl-2-hydroxy-1,4-naphthoquinone-1-oxime) ligand L, mimics (His/Tyr) ligation with controlled and unique charge transfers resulting in valence tautomeric coordination with mixed valent diiron site in model compound Fe-1: [{mu}-OH-Fe{sub 2}{sup +2,+3} (o-NQ{sub CH3ox}) (o-NSQ{sub CH3ox}){sub 2} (CAT) H{sub 2}O]. Fe-2: [Fe{sup +3}(o-NQ{sub CH3ox}) (p-NQ{sub CH3ox}){sub 2}]{sub 2} a molecularly associated dimer of phthiocoloxime synthesized for comparison of charge transfer. {sup 57}Fe Moessbauer studies was used to quantitize unusual valences due to ligand in dimeric Fe-1 and Fe-2 complexes which are supported by EPR and SQUID studies. {sup 57}Fe Moessbauer spectra for Fe-1 at 300 K indicates the presence of two quadrupole split asymmetric doublets due to the differences in local coordination geometries of [Fe{sup +3}]{sub A} and [Fe{sup +2}]{sub B} sites. The hyperfine interaction parameters are {delta}{sub A} = 0.152, ({Delta}E{sub Q}){sub A} 0.598 mm/s with overlapping doublet at {delta}{sub B} = 0.410 and ({Delta}E{sub Q}){sub B} 0.468 mm/s. Due to molecular association tendency of ligand, dimer Fe-2 possesses 100% Fe{sup +3}(h.s.) hexacoordinated configuration with isomer shift {delta} = 0.408 mm/s. Slightly distorted octahedral symmetry created by NQ{sub CH3ox} ligand surrounding Fe{sup +3}(h.s.) state generates small field gradient indicated by quadrupole split {Delta}E{sub Q} = 0.213 mm/s. Decrease of isomer shifts together with variation of quadrupole splits with temperature in Fe-1 dimer compared to Fe-2 is result of charge transfers in [Fe{sub 2}{sup +2,+3} SQ] complexes. EPR spectrum of Fe-1 shows two strong signals at g{sub 1} = 4.17 and g{sub 2} = 2.01 indicative of S = 3/2 spin state with an intermediate spin of Fe{sup +3}(h.s.) configuration. SQUID data of

  18. The separation mechanism of Am(iii) from Eu(iii) by diglycolamide and nitrilotriacetamide extraction reagents using DFT calculations.

    Science.gov (United States)

    Kaneko, Masashi; Watanabe, Masayuki; Matsumura, Tatsuro

    2016-11-01

    Relativistic density functional calculations were applied to study the separation behaviors of the Am(iii) ion from the Eu(iii) ion by diglycolamide (DGA) and nitrilotriacetamide (NTA) ligands in order to understand the difference in the separation mechanism of their reagents. The complexation reaction was modeled on the basis of previous experimental studies. The calculated energies based on stabilization by complex formation at the ZORA-B2PLYP/SARC level predicted that the DGA reagent preferably coordinated to the Eu(iii) ion when compared with the Am(iii) ion. In contrast, the NTA reagent selectively coordinated to the Am(iii) ion when compared with the Eu(iii) ion. These results reproduced the experimental selectivity of DGA and NTA ligands toward Eu(iii) and Am(iii) ions. Mulliken's population analyses implied that the difference in the contribution of the bonding property between the f-orbital of Am and donor atoms determined the comparative stability of Eu and Am complexes.

  19. Structure and reactivity of As(III)- and As(V)-rich schwertmannites and amorphous ferric arsenate sulfate from the Carnoulès acid mine drainage, France: Comparison with biotic and abiotic model compounds and implications for As remediation

    Science.gov (United States)

    Maillot, Fabien; Morin, Guillaume; Juillot, Farid; Bruneel, Odile; Casiot, Corinne; Ona-Nguema, Georges; Wang, Yuheng; Lebrun, Sophie; Aubry, Emmanuel; Vlaic, Gilberto; Brown, Gordon E.

    2013-03-01

    Poorly ordered nanocrystalline hydroxysulfate minerals of microbial origin, such as schwertmannite, Fe8O8(OH)6SO4, are important arsenic scavengers in sulfate-rich acid mine drainage (AMD) environments. However, despite the fact that As(III) and As(V) have been shown to sorb on schwertmannite, little is known about the actual mechanism of arsenic scavenging processes after microbial Fe(II) oxidation in AMD environments. The major focus of the present study is to determine the molecular-level structure of poorly ordered As(III) and As(V) bearing Fe oxyhydroxysulfate minerals from the Carnoulès AMD, France, which exhibits exceptional As(III) concentrations. Powder X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy were used to compare field samples with a large set of synthetic analogs prepared via biotic or abiotic pathways, with As/Fe ratios typical of minerals and mineraloids ranging from nanocrystalline schwertmannite to amorphous hydroxysulfate compounds. Our results yield further evidence for the poisoning effect of As(V) in limiting the nucleation of schwertmannite. For initial dissolved As(V)/Fe(III) molar ratios ⩾0.2, amorphous Fe(III)-As(V) hydroxysulfate forms, with a local structure consistent with that of amorphous ferric arsenate. EXAFS data for this amorphous material are consistent with corner-sharing FeO6 octahedra to which AsO4 tetrahedra attach via double-corner 2C linkages. For As(V)/Fe(III) molar ratios lower than 0.2, As(V) binds to schwertmannite via 2C surface complexes. In contrast with the As(V)-containing samples, As(III) has a lower affinity for schwertmannite following its nucleation, as this mineral phase persists up to an initial As(III)/Fe(III) molar ratio of 0.6. EXAFS data indicate that during the precipitation process, As(III) forms dominantly 2C surface complexes on schwertmannite surfaces, likely on the sides of double-chains of Fe(III)(O,OH)6 octahedra, with a smaller proportion of edge

  20. Multi-dimensional modelling of X-ray spectra for AGN accretion-disk outflows III: application to a hydrodynamical simulation

    CERN Document Server

    Sim, S A; Miller, L; Long, K S; Turner, T J

    2010-01-01

    We perform multi-dimensional radiative transfer simulations to compute spectra for a hydrodynamical simulation of a line-driven accretion disk wind from an active galactic nucleus. The synthetic spectra confirm expectations from parameterized models that a disk wind can imprint a wide variety of spectroscopic signatures including narrow absorption lines, broad emission lines and a Compton hump. The formation of these features is complex with contributions originating from many of the different structures present in the hydrodynamical simulation. In particular, spectral features are shaped both by gas in a successfully launched outflow and in complex flows where material is lifted out of the disk plane but ultimately falls back. We also confirm that the strong Fe Kalpha line can develop a weak, red-skewed line wing as a result of Compton scattering in the outflow. In addition, we demonstrate that X-ray radiation scattered and reprocessed in the flow has a pivotal part in both the spectrum formation and determi...

  1. s-Process in Low Metallicity Stars. III. Individual analysis of CEMP-s and CEMP-s/r with AGB models

    CERN Document Server

    Bisterzo, S; Straniero, O; Cristallo, S; Kaeppeler, F

    2012-01-01

    We provide an individual analysis of 94 carbon enhanced metal-poor stars showing an s-process enrichment (CEMP-s) collected from the literature. The s-process enhancement observed in these stars is ascribed to mass transfer by stellar winds in a binary system from a more massive companion evolving faster toward the asymptotic giant branch (AGB) phase. The theoretical AGB nucleosynthesis models have been presented in Paper I. Several CEMP-s stars show an enhancement in both s and r-process elements (CEMP-s/r). In order to explain the peculiar abundances observed in CEMP-s/r stars, we assume that the molecular cloud from which CEMP-s formed was previously enriched in r-elements by Supernovae pollution. A general discussion and the method adopted in order to interpret the observations have been provided in Paper II. We present in this paper a detailed study of spectroscopic observations of individual stars. We consider all elements from carbon to bismuth, with particular attention to the three s-process peaks, l...

  2. Modeling and Real-Time Process Monitoring of Organometallic Chemical Vapor Deposition of III-V Phosphides and Nitrides at Low and High Pressure

    Science.gov (United States)

    Bachmann, K. J.; Cardelino, B. H.; Moore, C. E.; Cardelino, C. A.; Sukidi, N.; McCall, S.

    1999-01-01

    The purpose of this paper is to review modeling and real-time monitoring by robust methods of reflectance spectroscopy of organometallic chemical vapor deposition (OMCVD) processes in extreme regimes of pressure. The merits of p-polarized reflectance spectroscopy under the conditions of chemical beam epitaxy (CBE) and of internal transmission spectroscopy and principal angle spectroscopy at high pressure are assessed. In order to extend OMCVD to materials that exhibit large thermal decomposition pressure at their optimum growth temperature we have designed and built a differentially-pressure-controlled (DCP) OMCVD reactor for use at pressures greater than or equal to 6 atm. We also describe a compact hard-shell (CHS) reactor for extending the pressure range to 100 atm. At such very high pressure the decomposition of source vapors occurs in the vapor phase, and is coupled to flow dynamics and transport. Rate constants for homogeneous gas phase reactions can be predicted based on a combination of first principles and semi-empirical calculations. The pressure dependence of unimolecular rate constants is described by RRKM theory, but requires variational and anharmonicity corrections not included in presently available calculations with the exception of ammonia decomposition. Commercial codes that include chemical reactions and transport exist, but do not adequately cover at present the kinetics of heteroepitaxial crystal growth.

  3. Biochemical evolution III: polymerization on organophilic silica-rich surfaces, crystal-chemical modeling, formation of first cells, and geological clues.

    Science.gov (United States)

    Smith, J V; Arnold, F P; Parsons, I; Lee, M R

    1999-03-30

    Catalysis at organophilic silica-rich surfaces of zeolites and feldspars might generate replicating biopolymers from simple chemicals supplied by meteorites, volcanic gases, and other geological sources. Crystal-chemical modeling yielded packings for amino acids neatly encapsulated in 10-ring channels of the molecular sieve silicalite-ZSM-5-(mutinaite). Calculation of binding and activation energies for catalytic assembly into polymers is progressing for a chemical composition with one catalytic Al-OH site per 25 neutral Si tetrahedral sites. Internal channel intersections and external terminations provide special stereochemical features suitable for complex organic species. Polymer migration along nano/micrometer channels of ancient weathered feldspars, plus exploitation of phosphorus and various transition metals in entrapped apatite and other microminerals, might have generated complexes of replicating catalytic biomolecules, leading to primitive cellular organisms. The first cell wall might have been an internal mineral surface, from which the cell developed a protective biological cap emerging into a nutrient-rich "soup." Ultimately, the biological cap might have expanded into a complete cell wall, allowing mobility and colonization of energy-rich challenging environments. Electron microscopy of honeycomb channels inside weathered feldspars of the Shap granite (northwest England) has revealed modern bacteria, perhaps indicative of Archean ones. All known early rocks were metamorphosed too highly during geologic time to permit simple survival of large-pore zeolites, honeycombed feldspar, and encapsulated species. Possible microscopic clues to the proposed mineral adsorbents/catalysts are discussed for planning of systematic study of black cherts from weakly metamorphosed Archaean sediments.

  4. Finite-size effects in molecular dynamics simulations: Intermediate scattering function and velocity of sound. III. Theory and application to a model krypton fluid

    Science.gov (United States)

    Salacuse, J. J.; Egelstaff, P. A.

    2001-11-01

    We describe a method for obtaining the intermediate scattering function I(Q,t) from a computer simulation: it is an extension of our earlier calculation [Salacuse, Denton, and Egelstaff, Phys. Rev. E 53, 2382 (1996)] for the t-->0 limit. We use this approach to obtain I(Q,t) for low Q and t from molecular dynamics (MD) simulations of a model krypton fluid whose atoms interact via a truncated Aziz pair potential, and the results are compared over their range of validity to I(Q,t) determined by the standard MD method and also by a time expansion approach. In its range of validity our approach is much more efficient than the standard MD method; however, it covers a restricted range of t due to the movement of density fluctuations (sound waves) through the simulated fluid which produces an anomaly in the time behavior of I(Q,t). By analyzing I(Q=0,t) the velocity of sound in the simulation is determined, and the results compare favorably with published experimental results for the sound velocity of liquid krypton.

  5. Celestine III and the North

    DEFF Research Database (Denmark)

    Nielsen, Torben Kjersgaard

    2008-01-01

    Artiklen gennemgår pave Cølestin IIIs forhold til de nordiske kongeriger i perioden 1191-1198. Artiklen viser, at paven, som i forskningen traditionelt år har stået i skyggen af sin berømte, energiske og især: yngre efterfølger, Innocens III, har været på forkant med udviklingen i de nordiske rig...

  6. BES-III distributed computing status

    Science.gov (United States)

    Belov, S. D.; Deng, Z. Y.; Korenkov, V. V.; Li, W. D.; Lin, T.; Ma, Z. T.; Nicholson, C.; Pelevanyuk, I. S.; Suo, B.; Trofimov, V. V.; Tsaregorodtsev, A. U.; Uzhinskiy, A. V.; Yan, T.; Yan, X. F.; Zhang, X. M.; Zhemchugov, A. S.

    2016-09-01

    The BES-III experiment at the Institute of High Energy Physics (Beijing, China) is aimed at the precision measurements in e+e- annihilation in the energy range from 2.0 till 4.6 GeV. The world's largest samples of J/psi and psi' events and unique samples of XYZ data have been already collected. The expected increase of the data volume in the coming years required a significant evolution of the computing model, namely shift from a centralized data processing to a distributed one. This report summarizes a current design of the BES-III distributed computing system, some of key decisions and experience gained during 2 years of operations.

  7. Synthesis, characterization and application of iron (II, III) oxide (Fe3O4) magnetic nanoparticles in mimic of wound healing model

    Science.gov (United States)

    Konyala, Divya

    The research study focused on synthesis, characterization and applications of Fe3O4 core-shelled magnetic nanomaterials. This Fe3O4 magnetic nanomaterials will be prepared by using cost effective and convenient wet-chemistry method and will encapsulated using aqueous extracts of medicinal natural products. Three natural products namely Symplocos racemosa, Picrorhiza kurroa and Butea monosperma used to encapsulate Fe3O 4 MNMs due to their scope to reduce the risk of cancer, improves health, increase energy and enhance the immunity. These three medicinal natural products are synthesize by using water as a solvents to derive its active constituents, which will further used to functionalize the magnetic nanomaterials. The magnetic nanoparticles characterization studies performed using X-ray powder diffraction, Scanning electron microscope, Transmission electron microscope, Ultraviolet-visible spectroscopy, Fourier Transform Infrared spectroscopy (FT-IR) and Magnetic property. Fe3O4 magnetic nanomaterials biological activity was tested on Gram-negative bacteria (Escherichia coli). The results pointed out that, due to the adequate coating of Fe 3O4 (Iron Oxide) core by the medicinal chemical constituents from the natural products, the absorption of Fe3O4 magnetic nanomaterials was not detected in the UV-VIS Spectroscopy. TEM images showed that Fe3O4 coated with natural product extract in core-shelled structure, and the size of the particle ranges from 6 nm to 10 nm. Fourier Transform Infrared spectroscopy (FT-IR) was performed to determine the nature of chemicals present in natural extracts and functionalized Fe3O 4 magnetic nanomaterials. The model of wound healing mimic and antibacterial activity performed on gram-negative (Escherichia coli), indicating steady increasing cell growth after adding Fe3O4 MNMs. It was also found that MNMs synthesized at high temperatures shows less wound healing activity, when compared to MNMs prepared at room temperature due to formation

  8. Biochemical evolution III: Polymerization on organophilic silica-rich surfaces, crystal–chemical modeling, formation of first cells, and geological clues

    Science.gov (United States)

    Smith, Joseph V.; Arnold, Frederick P.; Parsons, Ian; Lee, Martin R.

    1999-01-01

    Catalysis at organophilic silica-rich surfaces of zeolites and feldspars might generate replicating biopolymers from simple chemicals supplied by meteorites, volcanic gases, and other geological sources. Crystal–chemical modeling yielded packings for amino acids neatly encapsulated in 10-ring channels of the molecular sieve silicalite-ZSM-5-(mutinaite). Calculation of binding and activation energies for catalytic assembly into polymers is progressing for a chemical composition with one catalytic Al–OH site per 25 neutral Si tetrahedral sites. Internal channel intersections and external terminations provide special stereochemical features suitable for complex organic species. Polymer migration along nano/micrometer channels of ancient weathered feldspars, plus exploitation of phosphorus and various transition metals in entrapped apatite and other microminerals, might have generated complexes of replicating catalytic biomolecules, leading to primitive cellular organisms. The first cell wall might have been an internal mineral surface, from which the cell developed a protective biological cap emerging into a nutrient-rich “soup.” Ultimately, the biological cap might have expanded into a complete cell wall, allowing mobility and colonization of energy-rich challenging environments. Electron microscopy of honeycomb channels inside weathered feldspars of the Shap granite (northwest England) has revealed modern bacteria, perhaps indicative of Archean ones. All known early rocks were metamorphosed too highly during geologic time to permit simple survival of large-pore zeolites, honeycombed feldspar, and encapsulated species. Possible microscopic clues to the proposed mineral adsorbents/catalysts are discussed for planning of systematic study of black cherts from weakly metamorphosed Archaean sediments. PMID:10097060

  9. NNMSM type-II and -III

    Energy Technology Data Exchange (ETDEWEB)

    Haba, Naoyuki [Graduate School of Science and Engineering, Shimane University, Matsue, Shimane (Japan); Hokkaido University, Department of Physics, Faculty of Science, Sapporo, Hokkaido (Japan); Kaneta, Kunio [Hokkaido University, Department of Physics, Faculty of Science, Sapporo, Hokkaido (Japan); University of Tokyo, Kavli Institute for the Physics and Mathematics of the Universe (WPI), Kashiwa, Chiba (Japan); Osaka University, Department of Physics, Graduate School of Science, Toyonaka, Osaka (Japan); Takahashi, Ryo [Hokkaido University, Department of Physics, Faculty of Science, Sapporo, Hokkaido (Japan)

    2014-01-15

    We suggest two types of extension of the standard model, which are the so-called next to new minimal standard model type-II and -III. They can achieve gauge coupling unification as well as suitable dark matter abundance, small neutrino masses, baryon asymmetry of the universe, inflation, and dark energy. The gauge coupling unification can be realized by introducing two or three extra new fields, and they could explain charge quantization. We also show that there are regions in which the vacuum stability, coupling perturbativity, and correct dark matter abundance can be realized with current experimental data at the same time. (orig.)

  10. [The effects of indigestible dextrin on sugar tolerance: III. Improvement in sugar tolerance by indigestible dextrin on the impaired glucose tolerance model].

    Science.gov (United States)

    Wakabayashi, S

    1993-06-20

    Recently developed, Indigestible Dextrin (PF-C) is a low viscosity, water-soluble dietary fiber obtained by heating and enzyme-treatment of potato starch. It has an average molecular weight of 1600. Results from methylation analysis via gas chromatography show the indigestible portion to be a dextrin composed of alpha-1.4, alpha-1.6, beta-1.2, beta-1.3, and beta-1.6 glucosidic bonds and 1.6-anhydro-beta-D-glucose (levoglucosan) as part of the reducing terminal. Physiological attributes such as an improvement in sucrose tolerance and a reduction in blood lipid levels have since been demonstrated. In this study to establish a dose response for PF-C on blood glucose and insulin levels following a sucrose load, administration studies were conducted on normal rats and rats with impaired glucose tolerance. The results are summarized as follows: 1) To estimate an effective dose of PF-C on the reduction in blood glucose and insulin levels following an oral sucrose load, an oral sucrose (1.5g/kg body weight) tolerance test was conducted on rats. The increase in both plasma glucose and insulin levels following a sucrose+PF-C (0.075, 0.15, 0.60, and 1.5g/kg body weight) load was significantly lower compared to the sucrose load. The results show that the most effective dose of PF-C was found to be 0.15g/kg body weight. 2) Another sucrose tolerance test was conducted on three different rat model groups with drug or diet induced impaired glucose tolerance. Impaired glucose tolerance was achieved by injecting one group with streptozotocin at 1.5 days (60mg/kg body weight); a second group was injected at seven weeks (30mg/kg body weight), and a third group was fed on a high (65%) sucrose diet. For this sucrose tolerance test, the adult (7-week) streptozotocin induced diabetic rats and the high-sucrose diet rats on concurrent administrations of PF-C (0.15g/kg body weight) showed decreases in both plasma glucose and insulin levels following a sucrose (1.5g/kg body weight) load. For

  11. Statistical model based iterative reconstruction in clinical CT systems. Part III. Task-based kV/mAs optimization for radiation dose reduction.

    Science.gov (United States)

    Li, Ke; Gomez-Cardona, Daniel; Hsieh, Jiang; Lubner, Meghan G; Pickhardt, Perry J; Chen, Guang-Hong

    2015-09-01

    For a given imaging task and patient size, the optimal selection of x-ray tube potential (kV) and tube current-rotation time product (mAs) is pivotal in achieving the maximal radiation dose reduction while maintaining the needed diagnostic performance. Although contrast-to-noise (CNR)-based strategies can be used to optimize kV/mAs for computed tomography (CT) imaging systems employing the linear filtered backprojection (FBP) reconstruction method, a more general framework needs to be developed for systems using the nonlinear statistical model-based iterative reconstruction (MBIR) method. The purpose of this paper is to present such a unified framework for the optimization of kV/mAs selection for both FBP- and MBIR-based CT systems. The optimal selection of kV and mAs was formulated as a constrained optimization problem to minimize the objective function, Dose(kV,mAs), under the constraint that the achievable detectability index d'(kV,mAs) is not lower than the prescribed value of d'R for a given imaging task. Since it is difficult to analytically model the dependence of d' on kV and mAs for the highly nonlinear MBIR method, this constrained optimization problem is solved with comprehensive measurements of Dose(kV,mAs) and d'(kV,mAs) at a variety of kV-mAs combinations, after which the overlay of the dose contours and d' contours is used to graphically determine the optimal kV-mAs combination to achieve the lowest dose while maintaining the needed detectability for the given imaging task. As an example, d' for a 17 mm hypoattenuating liver lesion detection task was experimentally measured with an anthropomorphic abdominal phantom at four tube potentials (80, 100, 120, and 140 kV) and fifteen mA levels (25 and 50-700) with a sampling interval of 50 mA at a fixed rotation time of 0.5 s, which corresponded to a dose (CTDIvol) range of [0.6, 70] mGy. Using the proposed method, the optimal kV and mA that minimized dose for the prescribed detectability level of d'R=16

  12. Updating quasar bolometric luminosity corrections - III. [O iii] bolometric corrections

    Science.gov (United States)

    Pennell, Alison; Runnoe, Jessie C.; Brotherton, M. S.

    2017-06-01

    We present quasar bolometric corrections using the [O III] λ 5007 narrow emission line luminosity based on the detailed spectral energy distributions of 53 bright quasars at low to moderate redshift (0.0345 diversity, introduces scatter into the L_{[O III]}-Liso relationship. We found that the {[O III]} bolometric correction can be significantly improved by adding a term including the equivalent width ratio R_{Fe II} ≡ EW_{{Fe II}}/EW_{Hβ }, which is an EV1 indicator. Inclusion of R_{Fe II} in predicting Liso is significant at nearly the 3σ level and reduces the scatter and systematic offset of the luminosity residuals. Typically, {[O III]} bolometric corrections are adopted for Type 2 sources where the quasar continuum is not observed and in these cases, R_{Fe II} cannot be measured. We searched for an alternative measure of EV1 that could be measured in the optical spectra of Type 2 sources but were unable to identify one. Thus, the main contribution of this work is to present an improved {[O III]} bolometric correction based on measured bolometric luminosities and highlight the EV1 dependence of the correction in Type 1 sources.

  13. Demo III Operational Concept

    Science.gov (United States)

    2007-11-02

    Mounted /Unmounted, Manned/Unmanned) Performance Goals 3 ISO 9001 Certified Game Plan Technology Development Modeling & Simulation Test Bed Integration 99 00... Powertrain • 78 Hp VW Turbo Diesel Engine • 70 GPM Sunstrand Hydrostatic Pump • Pump Drive Sized for 4300 RPM and 2500 RPM Engine Speeds • 15 Cu In...Planning & Simulation OCU/XUV Cooperative Mobility Controller (Wingman) AMS RSTA Platoon-level Mission Execution Section-level Mission Execution Vehicle

  14. Information technology in chemistry research and education: Part I. Ab initio studies on the hydrolysis of aromatic diazonium ions. Part II. Theoretical study and molecular modeling of non-covalent interactions. Part III. Applying information technology in chemistry education

    Science.gov (United States)

    Wu, Zhengyu

    Part I of this dissertation studies the bonding in chemical reactions, while Part II studies the bonding related to inter- and intra-molecular interactions. Part III studies the application of IT technology in chemistry education. Part I of this dissertation (chapter 1 and chapter 2) focuses on the theoretical studies on the mechanism of the hydrolysis reactions of benzenediazonium ion and guaninediazonium ion. The major conclusion is that in hydrolysis reactions the "unimolecular mechanism" actually has to involve the reacting solvent molecule. Therefore, the unimolecular pathway can only serve as a conceptual model but will not happen in the reality. Chapter I concludes that the hydrolysis reaction of benzenediazonium ion takes the direct SN2Ar mechanism via a transition state but without going through a pre-coordination complex. Chapter 2 concludes that the formation of xanthine from the dediazoniation reaction of guaninediazonium ion in water takes the SN2Ar pathway without a transition state. And oxanine might come from an intermediate formed by the bimolecular deprotonation of the H atom on N3 of guaninediazonium ion synchronized with the pyrimidine ring opening reaction. Part II of this dissertation includes chapters 3, 4, and 5. Chapter 3 studies the quadrupole moment of benzene and quadrupole-quadrupole interactions. We concluded that the quadrupole-quadrupole interaction is important in the arene-arene interactions. Our study shows the most stable structure of benzene dimer is the point-to-face T-shaped structure. Chapter 4 studies the intermolecular interactions that result in the disorder of the crystal of 4-Chloroacetophenone-(4-methoxyphenylethylidene). We analyzed all the nearest neighbor interactions within that crystal and found that the crystal structure is determined by its thermo-dynamical properties. Our calculation perfectly reproduced the percentage of parallel-alignment of the crystal. Part III of this dissertation is focused on the

  15. Consequences of flagellin export through the type III secretion system of Pseudomonas syringae reveal a major difference in the innate immune systems of mammals and the model plant Nicotiana benthamiana.

    Science.gov (United States)

    Wei, Hai-Lei; Chakravarthy, Suma; Worley, Jay N; Collmer, Alan

    2013-04-01

    Bacterial flagellin is perceived as a microbe (or pathogen)-associated molecular pattern (MAMP or PAMP) by the extracellular pattern recognition receptors, FLS2 and TLR5, of plants and mammals respectively. Flagellin accidently translocated into mammalian cells by pathogen type III secretion systems (T3SSs) is recognized by nucleotide-binding leucine-rich repeat receptor NLRC4 as a pattern of pathogenesis and induces a death-associated immune response. The non-pathogen Pseudomonas fluorescens Pf0-1, expressing a Pseudomonas syringae T3SS, and the plant pathogen P. syringae pv. tomato DC3000 were used to seek evidence of an analogous cytoplasmic recognition system for flagellin in the model plant Nicotiana benthamiana. Flagellin (FliC) was secreted in culture and translocated into plant cells by the T3SS expressed in Pf0-1 and DC3000 and in their ΔflgGHI flagellar pathway mutants. ΔfliC and ΔflgGHI mutants of Pf0-1 and DC3000 were strongly reduced in elicitation of reactive oxygen species production and in immunity induction as indicated by the ability of challenge bacteria inoculated 6 h later to translocate a type III effector-reporter and to elicit effector-triggered cell death. Agrobacterium-mediated transient expression in N. benthamiana of FliC with or without a eukaryotic export signal peptide, coupled with virus-induced gene silencing of FLS2, revealed no immune response that was not FLS2 dependent. Transiently expressed FliC from DC3000 and Pectobacterium carotovorum did notinduce cell death in N. benthamiana, tobacco or tomato leaves. Flagellin is the major Pseudomonas MAMP perceived by N. benthamiana, and although flagellin secretion through the plant cell wall by the T3SS may partially contribute to FLS2-dependent immunity, flagellin in the cytosol does not elicit immune-associated cell death. We postulate that a death response to translocated MAMPs would produce vulnerability to the many necrotrophic pathogens of plants, such as P

  16. Diglycolic acid modified zirconium phosphate and studies on the extraction of Am(III) and Eu(III) from dilute nitric acid medium

    Energy Technology Data Exchange (ETDEWEB)

    Selvan, B. Robert; Suneesh, A.S.; Venkatesan, K.A.; Antony, M.P. [Indira Gandhi Centre for Atomic Research, Kalpakkam (India). Fuel Chemistry Division; Dasthaiah, K.; Gardas, R.L. [Indian Institute of Technology - Madras, Chennai (India). Dept. of Chemistry

    2017-06-01

    Diglycolic acid modified zirconium phosphate (ZrP-DGA) was prepared and studied for the extraction of Am(III) and Eu(III) from dilute nitric acid medium. The distribution coefficient (K{sub d}, mL.g{sup -1}) of Am(III) and Eu(III) was measured as a function of time, pH and concentration of Eu(III) ion etc. The K{sub d} of Am(III) and Eu(III) increased with increase of pH, reached a maximum value of distribution coefficient at pH 1.5 - 2, followed by decrease in K{sub d} values. Rapid extraction of Am(III) and Eu(III) in ZrP-DGA was observed followed by the establishment of equilibrium occurred in 100 min. Kinetics of extraction was fitted in to pseudo second order rate equation. The amount of Eu(III) loaded in ZrP-DGA increased with increase in the concentration of Eu(III) ion in aqueous phase and the isotherm was fitted in to Langmuir and Freundlich adsorption models. The extraction of Am(III) in ZrP-DGA was higher as compared to Eu(III) and the interference of Eu(III) on the extraction of Am(III) was studied. The distribution coefficient of some lanthanides in ZrP-DGA was measured and the K{sub d} of lanthanides increased across the lanthanide series. The extracted trivalent metal ions were recovered in three contacts of loaded ZrP-DGA with 0.5 M nitric acid.

  17. Spectrophotometric and pH-Metric Studies of Ce(III, Dy(III, Gd(III,Yb(III and Pr(III Metal Complexes with Rifampicin

    Directory of Open Access Journals (Sweden)

    A. N. Sonar

    2011-01-01

    Full Text Available The metal-ligand and proton-ligand stability constant of Ce(III, Dy(III, Gd(III,Yb(III and Pr(III metals with substituted heterocyclic drug (Rifampicin were determined at various ionic strength by pH metric titration. NaClO4 was used to maintain ionic strength of solution. The results obtained were extrapolated to the zero ionic strength using an equation with one individual parameter. The thermodynamic stability constant of the complexes were also calculated. The formation of complexes has been studied by Job’s method. The results obtained were of stability constants by pH metric method is confirmed by Job’s method.

  18. Factor Structure of the Norwegian Version of the WAIS-III in a Clinical Sample: The Arithmetic Problem

    Science.gov (United States)

    Egeland, Jens; Bosnes, Ole; Johansen, Hans

    2009-01-01

    Confirmatory Factor Analyses (CFA) of the Wechsler Adult Intelligence Scale-III (WAIS-III) lend partial support to the four-factor model proposed in the test manual. However, the Arithmetic subtest has been especially difficult to allocate to one factor. Using the new Norwegian WAIS-III version, we tested factor models differing in the number of…

  19. Mechanistic insights into type III restriction enzymes.

    Science.gov (United States)

    Raghavendra, Nidhanapati K; Bheemanaik, Shivakumara; Rao, Desirazu N

    2012-01-01

    Type III restriction-modification (R-M) enzymes need to interact with two separate unmethylated DNA sequences in indirectly repeated, head-to-head orientations for efficient cleavage to occur at a defined location next to only one of the two sites. However, cleavage of sites that are not in head-to-head orientation have been observed to occur under certain reaction conditions in vitro. ATP hydrolysis is required for the long-distance communication between the sites prior to cleavage. Type III R-M enzymes comprise two subunits, Res and Mod that form a homodimeric Mod2 and a heterotetrameric Res2Mod2 complex. The Mod subunit in M2 or R2M2 complex recognizes and methylates DNA while the Res subunit in R2M2 complex is responsible for ATP hydrolysis, DNA translocation and cleavage. A vast majority of biochemical studies on Type III R-M enzymes have been undertaken using two closely related enzymes, EcoP1I and EcoP15I. Divergent opinions about how the long-distance interaction between the recognition sites exist and at least three mechanistic models based on 1D- diffusion and/or 3D- DNA looping have been proposed.

  20. The START III bargaining space

    Energy Technology Data Exchange (ETDEWEB)

    Karas, T.H.

    1998-08-01

    The declining state of the Russian military and precarious Russian economic condition will give the US considerable advantages at the START III bargaining table. Taking the US-RF asymmetries into account, this paper discusses a menu of START III measures the US could ask for, and measures it could offer in return, in attempting to negotiate an equitable treaty. Measures the US might seek in a START III treaty include: further reductions in deployed strategic nuclear warheads, irreversibility of reductions through warhead dismantlement; beginning to bring theater nuclear weapons under mutual control, and increased transparency into the Russian nuclear weapons complex. The US may, however, wish to apply its bargaining advantages to attempting to achieve the first steps toward two long-range goals that would enhance US security: bringing theater nuclear weapons into the US-RF arms control arena, and increasing transparency into the Russian nuclear weapons complex. In exchange for measures relating to these objectives, the US might consider offering to Russia: Further strategic weapons reductions approaching levels at which the Russians believe they could maintain a degree of parity with the US; Measures to decrease the large disparities in potential deliver-system uploading capabilities that appear likely under current START II/START III scenarios; and Financial assistance in achieving START II/START III reductions as rapidly as is technically possible.

  1. Study of the extraction of residual heat for a steam generator in the presence of incondensables modeling with TRACE: PKL experiment III G1.1; Estudio de la extraccion del calor residual por un generador de vapor en presencia de incondensables modelado con TRACE: experimento PKL III G1.1

    Energy Technology Data Exchange (ETDEWEB)

    Berna, C.; Escriva, A.; Munuz-Cobo, J. L.; Romero, A.

    2012-07-01

    This paper made the simulation of the PKL III G1.1 experiment using SNAP interface and the TRACE code. This experiment aims to essentially the study of the extraction of the residual heat of the steam generator in the presence of gases incondensables.

  2. Visualization and mathematics III

    CERN Document Server

    Polthier, Konrad

    2003-01-01

    This research book on Mathematical Visualization contains state of the art presentations on visualization problems in mathematics, on fundamental mathematical research in computer graphics, and on software frameworks for the application of visualization to real-world problems. All contributions were written by leading experts in the field and peer-refereed by an international editorial team. The book grew out of the third international workshop "Visualization and Mathematics", which was held from May 22-25, 2002 in Berlin. The themes of the book cover important recent developments on - Geometry and Combinatorics of Meshes - Discrete Vector Fields and Topology - Geometric Modelling - Image Based Visualization - Software Environments and Applications - Education and Communication The variety of topics makes the book a suitable resource for researchers, lecturers, and practitioners; http://www-sfb288.math.tu-berlin.de/vismath/

  3. III-Nitride nanowire optoelectronics

    Science.gov (United States)

    Zhao, Songrui; Nguyen, Hieu P. T.; Kibria, Md. G.; Mi, Zetian

    2015-11-01

    Group-III nitride nanowire structures, including GaN, InN, AlN and their alloys, have been intensively studied in the past decade. Unique to this material system is that its energy bandgap can be tuned from the deep ultraviolet (~6.2 eV for AlN) to the near infrared (~0.65 eV for InN). In this article, we provide an overview on the recent progress made in III-nitride nanowire optoelectronic devices, including light emitting diodes, lasers, photodetectors, single photon sources, intraband devices, solar cells, and artificial photosynthesis. The present challenges and future prospects of III-nitride nanowire optoelectronic devices are also discussed.

  4. Synthesis and characterization of [M(III)(PS)2(L)] mixed-ligand compounds (M = Re, 99Tc; PS = phosphinothiolate; L = dithiocarbamate) as potential models for the development of new agents for SPECT imaging and radiotherapy.

    Science.gov (United States)

    Salvarese, N; Morellato, N; Venzo, A; Refosco, F; Dolmella, A; Bolzati, C

    2013-06-03

    The synthesis and characterization of a new series of neutral, six-coordinated mixed-ligand compounds [M(III)(PS)2(L)] (M = Re; (99)Tc), where PS is bis(arylalkyl)- or trialkylphosphinothiolate and L is dithiocarbamate, are reported. Stable [M(III)(PS)2(L)] complexes were easily synthesized, in good yield, starting from precursors where the metal was in different oxidation states (III, V, and VII), involving ligand-exchange and/or redox-substitution reactions. The compounds were characterized by elemental analysis, positive-ion electrospray ionization mass spectrometry, multinuclear NMR spectroscopy, cyclic voltammetry, and X-ray diffraction analysis. All complexes are constituted by the presence of the [M(III)(PS)2](+) moiety, where two phosphinothiolate ligands are tightly bound to the metal and the remaining two positions are saturated by a dithiocarbamate chelate, also carrying bulky bioactive molecules [e.g., (2-methoxyphenyl)piperazine]. X-ray analyses were performed on crystalline specimens of four different Re/(99)Tc compounds sharing a distorted trigonal-prismatic geometry, with a P2S4 coordination donor set. The possibility of easily preparing these [M(III)(PS)2(L)] complexes, starting from the corresponding permetalate anions, in mild reaction conditions and in high yield, lays the first stone to the preparation of a new series of M(III)-based (M = (99m)Tc/(188)Re) compounds potentially useful in theragnostic applications.

  5. Trigger efficiencies at BES III

    CERN Document Server

    Berger, N; Liu, Z A; Jin, D P; Xu, H; Gong, W X; Wang, K; Cao, G F

    2010-01-01

    Trigger efficiencies at BES III were determined for both the J/psi and psi' data taking of 2009. Both dedicated runs and physics datasets are used; efficiencies are presented for Bhabha-scattering events, generic hadronic decay events involving charged tracks, dimuon events and psi' -> pi+pi-J/psi, J/psi -> l+l- events (l an electron or muon). The efficiencies are found to lie well above 99% for all relevant physics cases, thus fulfilling the BES III design specifications.

  6. First Stars III Conference Summary

    CERN Document Server

    O'Shea, Brian W; Heger, Alexander; Abel, Tom

    2008-01-01

    The understanding of the formation, life, and death of Population III stars, as well as the impact that these objects had on later generations of structure formation, is one of the foremost issues in modern cosmological research and has been an active area of research during the past several years. We summarize the results presented at "First Stars III," a conference sponsored by Los Alamos National Laboratory, the Kavli Institute for Particle Astrophysics and Cosmology, and the Joint Institute for Nuclear Astrophysics. This conference, the third in a series, took place in July 2007 at the La Fonda Hotel in Santa Fe, New Mexico, U.S.A.

  7. Evaluating the DSM-5 Section III Personality Disorder Impairment Criteria.

    Science.gov (United States)

    Anderson, Jaime L; Sellbom, Martin

    2016-09-12

    The majority of research on the Diagnostic and Statistical Manual of Mental Disorders, 5th edition (DSM-5) Section III alternative model for personality disorders (PDs) has addressed the dimensional traits proposed in Criterion B, while limited research has evaluated Section III functional impairment criteria. The current study evaluated Section III impairment specific to the 6 personality disorder diagnoses included in the Section III model in a sample of 347 undergraduates. We evaluated the factor structure of disorder-specific impairment; their associations with other measures of impairment, Section III traits, and Section II PD symptoms; as well as the incremental utility of impairment above and beyond traits in predicting Section II PD symptoms. Factor analyses indicated limited support for the 2 domain and 4 subfacet levels of impairment, but showed some support for disorder-specific impairment. Furthermore, disorder-specific impairment was associated with other measures of functional impairment, Section II PD symptoms, and Section III traits with a generally good degree of convergence. However, these findings showed a lack of discriminant validity, suggesting a lack of utility in measuring disorder-specific impairment, as opposed to more broadly evaluating an individual's level of functional impairment. Finally, impairment only added incremental utility to traits in predicting Section II Avoidant PD. By and large, these findings suggested mixed support for disorder-specific impairment as presented in Criterion A and raised additional questions regarding the utility of impairment when paired with dimensional personality traits. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

  8. CHAOS III: Gas-phase Abundances in NGC 5457

    Science.gov (United States)

    Croxall, Kevin V.; Pogge, Richard W.; Berg, Danielle A.; Skillman, Evan D.; Moustakas, John

    2016-10-01

    We present Large Binocular Telescope observations of 109 H ii regions in NGC 5457 (M101) obtained with the Multi-Object Double Spectrograph. We have robust measurements of one or more temperature-sensitive auroral emission lines for 74 H ii regions, permitting the measurement of “direct” gas-phase abundances. Comparing the temperatures derived from the different ionic species, we find: (1) strong correlations of T[N ii] with T[S iii] and T[O iii], consistent with little or no intrinsic scatter; (2) a correlation of T[S iii] with T[O iii], but with significant intrinsic dispersion; (3) overall agreement between T[N ii], T[S ii], and T[O ii], as expected, but with significant outliers; (4) the correlations of T[N ii] with T[S iii] and T[O iii] match the predictions of photoionization modeling while the correlation of T[S iii] with T[O iii] is offset from the prediction of photoionization modeling. Based on these observations, which include significantly more observations of lower excitation H ii regions, missing in many analyses, we inspect the commonly used ionization correction factors (ICFs) for unobserved ionic species and propose new empirical ICFs for S and Ar. We have discovered an unexpected population of H ii regions with a significant offset to low values in Ne/O, which defies explanation. We derive radial gradients in O/H and N/O which agree with previous studies. Our large observational database allows us to examine the dispersion in abundances, and we find intrinsic dispersions of 0.074 ± 0.009 in O/H and 0.095 ± 0.009 in N/O (at a given radius). We stress that this measurement of the intrinsic dispersion comes exclusively from direct abundance measurements of H ii regions in NGC 5457.

  9. Radiation protection in category III large gamma irradiators; Radioprotecao em irradiadores de grande porte de categoria III

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Neivaldo; Furlan, Gilberto Ribeiro, E-mail: neivaldo@cena.usp.b, E-mail: gilfurlan@cena.usp.b [Centro de Energia Nuclear na Agricultura (CENA/USP), Piracicaba, SP (Brazil); Itepan, Natanael Marcio, E-mail: natanael.itepan@unianhanguera.edu.b [Universidade Anhanguera, Goiania, GO (Brazil)

    2011-07-01

    This article discusses the advantages of category III large gamma irradiator compared to the others, with emphasis on aspects of radiological protection, in the industrial sector. This category is a kind of irradiators almost unknown to the regulators authorities and the industrial community, despite its simple construction and greater radiation safety intrinsic to the model, able to maintain an efficiency of productivity comparable to those of category IV. Worldwide, there are installed more than 200 category IV irradiators and there is none of a category III irradiator in operation. In a category III gamma irradiator, the source remains fixed in the bottom of the tank, always shielded by water, negating the exposition risk. Taking into account the benefits in relation to radiation safety, the category III large irradiators are highly recommended for industrial, commercial purposes or scientific research. (author)

  10. Organometallic neptunium(III) complexes.

    Science.gov (United States)

    Dutkiewicz, Michał S; Farnaby, Joy H; Apostolidis, Christos; Colineau, Eric; Walter, Olaf; Magnani, Nicola; Gardiner, Michael G; Love, Jason B; Kaltsoyannis, Nikolas; Caciuffo, Roberto; Arnold, Polly L

    2016-08-01

    Studies of transuranic organometallic complexes provide a particularly valuable insight into covalent contributions to the metal-ligand bonding, in which the subtle differences between the transuranium actinide ions and their lighter lanthanide counterparts are of fundamental importance for the effective remediation of nuclear waste. Unlike the organometallic chemistry of uranium, which has focused strongly on U(III) and has seen some spectacular advances, that of the transuranics is significantly technically more challenging and has remained dormant. In the case of neptunium, it is limited mainly to Np(IV). Here we report the synthesis of three new Np(III) organometallic compounds and the characterization of their molecular and electronic structures. These studies suggest that Np(III) complexes could act as single-molecule magnets, and that the lower oxidation state of Np(II) is chemically accessible. In comparison with lanthanide analogues, significant d- and f-electron contributions to key Np(III) orbitals are observed, which shows that fundamental neptunium organometallic chemistry can provide new insights into the behaviour of f-elements.

  11. Computer Simulation of Insoluble Pr(III) Speciation in Human Interstitial Fluid

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A multi-phase model of Pr(III) speciation in human interstitial fluid was constructed and insoluble Pr(III) speciation was studied. When the total concentration of Pr(III) is below 8.401E-10 mol/L, soluble Pr(III) species are main species. With rising the total concentration of Pr(III), Pr(III) is firstly bound to phosphate to form precipitate of PrPO4, then bound to carbonate and another precipitate of Pr2(CO3)3 was obtained. When the total concentration is between 1.583E-9 mol/L and 4.000E-3 mol/L, the insoluble species are predominant Pr(III) species.

  12. Limits on Pop III star formation with the most iron-poor stars

    CERN Document Server

    de Bennassuti, M; Schneider, R; Valiante, R

    2016-01-01

    We study the impact of star-forming mini-haloes, and the Initial Mass Function (IMF) of Population III (Pop III) stars, on the Galactic halo Metallicity Distribution Function (MDF) and on the properties of C-enhanced and C-normal stars at [Fe/H]50% level by PISNe are thus extremely rare, corresponding to $\\approx$ 0.25% of the total stellar population at [Fe/H]<-2, which is consistent with recent observations. The low-Fe tail of the MDF strongly depends on the Pop III IMF shape and mass range. Given the current statistics, we find that a flat Pop III IMF model with $m_{\\rm popIII}$=[10-300] $M_\\odot$ is disfavoured by observations. We present testable predictions for Pop III stars extending down to lower masses, with $m_{\\rm popIII}$=[0.1-300] $M_\\odot$.

  13. Revisiting The First Galaxies: The Epoch of Population III Stars

    Science.gov (United States)

    Muratov, Alexander; Gnedin, O. Y.; Gnedin, N. Y.; Zemp, M. K.

    2013-01-01

    We study the formation of the first galaxies using new hydrodynamic cosmological simulations with the ART code. Our simulations feature a recently developed model for dust-based formation of molecular gas. Here, we develop and implement a new recipe for the formation of metal-free Pop III stars. We reach a spatial resolution of 2 pc at z=10 and resolve star-forming galaxies with the masses above 10^6 solar masses. We find the epoch during which Pop III stars dominate the energy and metal budget of the universe to be short-lived. While these stars seed their host galaxies with metals, they cannot drive significant outflows to enrich the IGM in our simulations. Feedback from pair instability supernovae causes Pop III star formation to self-terminate within their host galaxies, but is not strong enough to suppress star formation in external galaxies. Within any individual galaxy, Pop II stars overtake Pop III stars within ~50-150 Myr. A threshold of M = 3 * 10^6 solar masses separates galaxies that lose a significant fraction of their baryons due to Pop III feedback from those that do not. Understanding the nature of the transition between Pop III and Pop II star formation is of key importance for studying the dawn of galaxy formation.

  14. Kuosheng Mark III containment analyses using GOTHIC

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Ansheng, E-mail: samuellin1999@iner.gov.tw; Chen, Yen-Shu; Yuann, Yng-Ruey

    2013-10-15

    Highlights: • The Kuosheng Mark III containment model is established using GOTHIC. • Containment pressure and temperature responses due to LOCA are presented. • The calculated results are all below the design values and compared with the FSAR results. • The calculated results can be served as an analysis reference for an SPU project in the future. -- Abstract: Kuosheng nuclear power plant in Taiwan is a twin-unit BWR/6 plant, and both units utilize the Mark III containment. Currently, the plant is performing a stretch power uprate (SPU) project to increase the core thermal power to 103.7% OLTP (original licensed thermal power). However, the containment response in the Kuosheng Final Safety Analysis Report (FSAR) was completed more than twenty-five years ago. The purpose of this study is to establish a Kuosheng Mark III containment model using the containment program GOTHIC. The containment pressure and temperature responses under the design-basis accidents, which are the main steam line break (MSLB) and the recirculation line break (RCLB) accidents, are investigated. Short-term and long-term analyses are presented in this study. The short-term analysis is to calculate the drywell peak pressure and temperature which happen in the early stage of the LOCAs. The long-term analysis is to calculate the peak pressure and temperature of the reactor building space. In the short-term analysis, the calculated peak drywell to wetwell differential pressure is 140.6 kPa for the MSLB, which is below than the design value of 189.6 kPa. The calculated peak drywell temperature is 158 °C, which is still below the design value of 165.6 °C. In addition, in the long-term analysis, the calculated peak containment pressure is 47 kPa G, which is below the design value of 103.4 kPa G. The calculated peak values of containment temperatures are 74.7 °C, which is lower than the design value of 93.3 °C. Therefore, the Kuosheng Mark III containment can maintain the integrity after

  15. Adsorption of some transition metal ions (Cu(II), Fe(III), Cr(III) and Au(III)) onto lignite-based activated carbons modified by oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Paunka St. Vassileva; Albena K. Detcheva [Bulgarian Academy of Sciences, Sofia (Bulgaria). Institute of General and Inorganic Chemistry

    2010-03-15

    The main purpose of the present work was to study the adsorption of some transition metal ions from aqueous solution via a novel porous material obtained from Bulgarian lignite (Chukurovo deposit) and its oxidized modifications. The adsorption of Cu(II), Fe(III), Cr(III) and Au(III) ions was investigated using batch methods to study solutions with different concentrations and acidities. It was found that the adsorption process was affected significantly by the pH value of the aqueous solution. Treatment of the equilibrium data using the linear Langmuir, Freundlich and Dubinin-Radushkevich models allowed the maximum adsorption capacities to be calculated. The uptake of Au(III) ions was almost 100% for the three adsorbents investigated, being greater than 300 mg/l and independent of the pH over the pH range studied. The initial activated carbon proved to be the most suitable for the selective adsorption of Au(III) ions from aqueous solutions in the presence of other transition metal ions, while its oxidized modification Ch-P exhibited an enhanced adsorption efficiency towards transition metals.

  16. Adsorption of Some Transition Metal Ions (Cu(II), Fe(III), Cr(III) and Au(III)) onto lignite-based activated carbons modified by oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Vassileva, P.S.; Detcheva, A.K. [Bulgarian Academy of Science, Sofia (Bulgaria)

    2010-07-01

    The main purpose of the present work was to study the adsorption of some transition metal ions from aqueous solution via a novel porous material obtained from Bulgarian lignite (Chukurovo deposit) and its oxidized modifications. The adsorption of Cu(II), Fe(III), Cr(III) and Au(III) ions was investigated using batch methods to study solutions with different concentrations and acidities. It was found that the adsorption process was affected significantly by the pH value of the aqueous solution. Treatment of the equilibrium data using the linear Langmuir, Freundlich and Dubinin-Radushkevich models allowed the maximum adsorption capacities to be calculated. The uptake of Au(III) ions was almost 100% for the three adsorbents investigated, being greater than 300 mg/l and independent of the pH over the pH range studied. The initial activated carbon proved to be the most suitable for the selective adsorption of Au(III) ions from aqueous solutions in the presence of other transition metal ions, while its oxidized modification Ch-P exhibited an enhanced adsorption efficiency towards transition metals.

  17. Mechatronic systems and materials III

    CERN Document Server

    Gosiewski, Zdzislaw

    2009-01-01

    This very interesting volume is divided into 24 sections; each of which covers, in detail, one aspect of the subject-matter: I. Industrial robots; II. Microrobotics; III. Mobile robots; IV. Teleoperation, telerobotics, teleoperated semi-autonomous systems; V. Sensors and actuators in mechatronics; VI. Control of mechatronic systems; VII. Analysis of vibration and deformation; VIII. Optimization, optimal design; IX. Integrated diagnostics; X. Failure analysis; XI. Tribology in mechatronic systems; XII. Analysis of signals; XIII. Measurement techniques; XIV. Multifunctional and smart materials;

  18. The Negotiation of Basel III

    DEFF Research Database (Denmark)

    Just, Sine Nørholm

    2015-01-01

    While the Basel Accords of 1988 and 2004 (Basel I and Basel II) ostensibly set out to regulate bank risk at the international level, they were effectively in the grip of neoliberal beliefs in the self-regulating potential of free markets. In 2009–2011, the Basel Accords were revised once more wit...... agency, the empirical argument is substantiated through textual–intertextual analysis of the rhetorical circulation of affective signs in the Basel III negotiations....

  19. Disconnecting XRCC1 and DNA ligase III.

    Science.gov (United States)

    Katyal, Sachin; McKinnon, Peter J

    2011-07-15

    DNA strand break repair is essential for the prevention of multiple human diseases, particularly those which feature neuropathology. To further understand the pathogenesis of these syndromes, we recently developed animal models in which the DNA single-strand break repair (SSBR) components, XRCC1 and DNA Ligase III (LIG3), were inactivated in the developing nervous system. Although biochemical evidence suggests that inactivation of XRCC1 and LIG3 should share common biological defects, we found profound phenotypic differences between these two models, implying distinct biological roles for XRCC1 and LIG3 during DNA repair. Rather than a key role in nuclear DNA repair, we found LIG3 function was central to mitochondrial DNA maintenance. Instead, our data indicate that DNA Ligase 1 is the main DNA ligase for XRCC1-mediated DNA repair. These studies refine our understanding of DNA SSBR and the etiology of neurological disease.

  20. Disconnecting XRCC1 and DNA ligase III

    Science.gov (United States)

    Katyal, Sachin

    2011-01-01

    DNA strand break repair is essential for the prevention of multiple human diseases, particularly those which feature neuropathology. To further understand the pathogenesis of these syndromes, we recently developed animal models in which the DNA single-strand break repair (SSBR) components, XRCC1 and DNA Ligase III (LIG3), were inactivated in the developing nervous system. Although biochemical evidence suggests that inactivation of XRCC1 and LIG3 should share common biological defects, we found profound phenotypic differences between these two models, implying distinct biological roles for XRCC1 and LIG3 during DNA repair. Rather than a key role in nuclear DNA repair, we found LIG3 function was central to mitochondrial DNA maintenance. Instead, our data indicate that DNA Ligase 1 is the main DNA ligase for XRCC1-mediated DNA repair. These studies refine our understanding of DNA SSBR and the etiology of neurological disease. PMID:21636980

  1. Organometallic neptunium(III) complexes

    Science.gov (United States)

    Dutkiewicz, Michał S.; Farnaby, Joy H.; Apostolidis, Christos; Colineau, Eric; Walter, Olaf; Magnani, Nicola; Gardiner, Michael G.; Love, Jason B.; Kaltsoyannis, Nikolas; Caciuffo, Roberto; Arnold, Polly L.

    2016-08-01

    Studies of transuranic organometallic complexes provide a particularly valuable insight into covalent contributions to the metal-ligand bonding, in which the subtle differences between the transuranium actinide ions and their lighter lanthanide counterparts are of fundamental importance for the effective remediation of nuclear waste. Unlike the organometallic chemistry of uranium, which has focused strongly on UIII and has seen some spectacular advances, that of the transuranics is significantly technically more challenging and has remained dormant. In the case of neptunium, it is limited mainly to NpIV. Here we report the synthesis of three new NpIII organometallic compounds and the characterization of their molecular and electronic structures. These studies suggest that NpIII complexes could act as single-molecule magnets, and that the lower oxidation state of NpII is chemically accessible. In comparison with lanthanide analogues, significant d- and f-electron contributions to key NpIII orbitals are observed, which shows that fundamental neptunium organometallic chemistry can provide new insights into the behaviour of f-elements.

  2. Evaluation of sorptive flotation technique for enhanced removal of radioactive Eu(III) from aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Ezzat, Amir; Saad, Ebtissam A. [Ain Shams Univ., Cairo (Egypt). Chemistry Dept.; Mahmoud, Mamdoh R. [Atomic Energy Authority, Cairo (Egypt). Nuclear Chemistry Dept.; Soliman, Mohamed A. [Atomic Energy Authority, Cairo (Egypt). Egypt Second Research Reactor; Kandil, Abdelhakim [Helwan Univ., Cairo (Egypt). Chemistry Dept.

    2017-06-01

    The present study aims at the removal of Eu(III) from aqueous solutions by sorptive flotation process. This process involves adsorption of Eu(III) onto bentonite and kaolinite clays followed by floatation using sodium dodecyl sulfate (SDS) and cetyltrimethylammonium bromide (CTAB) collectors. The effect of adsorption parameters (pH, contact time, clay weight, Eu(III) concentration, ionic strength) as well as flotation parameters (collector and frother concentrations, bubbling time, concentrations of foreign cations and anions) on the removal efficiency of Eu(III) were studied. The obtained results show that Eu(III) ions are removed efficiently (R% ∝ 95%) at pH=4 after 1 h shaking with clay and 15 min floatation. The adsorption kinetics of Eu(III) onto the employed clays followed the pseudo-second-order model and the equilibrium data fitted well to the Freundlich isotherm model.

  3. Antithrombin III and the nephrotic syndrome.

    Science.gov (United States)

    Jørgensen, K A; Stoffersen, E

    1979-05-01

    Plasma and urinary antithrombin III (AT-III) was measured in 15 cases of nephrotic syndrome. Plasma AT-III correlated well with serum albumin, but poorly with proteinuria, whereas urinary AT-III correlated well to proteinuria. The plasma AT-III level had a mean similar to 25 healthy controls, but the range was significantly wider. A case with nephrotic syndrome and left renal vein thrombosis is reported. The urinary output of AT-III rose and the plasma level fell with the activity of the disease. Although AT-III and albumin have similar molecule weight, their renal clearance was found to be different. It is suggested that urinary loss of AT-III plays a role in the hypercoagulable state sometimes found in the nephrotic syndrome.

  4. The Many Worlds of Hugh Everett III

    CERN Document Server

    ,

    2011-01-01

    A review of Peter Byrne's biography of Hugh Everett III, "The Many Worlds of Hugh Everett III: Multiple Universes, Mutual Assured Destruction, and the Meltdown of a Nuclear Family", (Oxford University Press, 2010).

  5. Advanced experimental analysis of controls on microbial Fe(III) oxide reduction. First year progress report

    Energy Technology Data Exchange (ETDEWEB)

    Roden, E.E.; Urrutia, M.M.

    1997-07-01

    'The authors have made considerable progress toward a number of project objectives during the first several months of activity on the project. An exhaustive analysis was made of the growth rate and biomass yield (both derived from measurements of cell protein production) of two representative strains of Fe(III)-reducing bacteria (Shewanellaalga strain BrY and Geobactermetallireducens) growing with different forms of Fe(III) as an electron acceptor. These two fundamentally different types of Fe(III)-reducing bacteria (FeRB) showed comparable rates of Fe(III) reduction, cell growth, and biomass yield during reduction of soluble Fe(III)-citrate and solid-phase amorphous hydrous ferric oxide (HFO). Intrinsic growth rates of the two FeRB were strongly influenced by whether a soluble or a solid-phase source of Fe(III) was provided: growth rates on soluble Fe(III) were 10--20 times higher than those on solid-phase Fe(III) oxide. Intrinsic FeRB growth rates were comparable during reduction of HF0 and a synthetic crystalline Fe(III) oxide (goethite). A distinct lag phase for protein production was observed during the first several days of incubation in solid-phase Fe(III) oxide medium, even though Fe(III) reduction proceeded without any lag. No such lag between protein production and Fe(III) reduction was observed during growth with soluble Fe(III). This result suggested that protein synthesis coupled to solid-phase Fe(III) oxide reduction in batch culture requires an initial investment of energy (generated by Fe(III) reduction), which is probably needed for synthesis of materials (e.g. extracellular polysaccharides) required for attachment of the cells to oxide surfaces. This phenomenon may have important implications for modeling the growth of FeRB in subsurface sedimentary environments, where attachment and continued adhesion to solid-phase materials will be required for maintenance of Fe(III) reduction activity. Despite considerable differences in the rate and

  6. How Do Executive Functions Fit with the Cattell-Horn-Carroll Model? Some Evidence from a Joint Factor Analysis of the Delis-Kaplan Executive Function System and the Woodcock-Johnson III Tests of Cognitive Abilities

    Science.gov (United States)

    Floyd, Randy G.; Bergeron, Renee; Hamilton, Gloria; Parra, Gilbert R.

    2010-01-01

    This study investigated the relations among executive functions and cognitive abilities through a joint exploratory factor analysis and joint confirmatory factor analysis of 25 test scores from the Delis-Kaplan Executive Function System and the Woodcock-Johnson III Tests of Cognitive Abilities. Participants were 100 children and adolescents…

  7. The core helium flash revisited. III. From Population I to Population III stars

    Science.gov (United States)

    Mocák, M.; Campbell, S. W.; Müller, E.; Kifonidis, K.

    2010-09-01

    Context. Degenerate ignition of helium in low-mass stars at the end of the red giant branch phase leads to dynamic convection in their helium cores. One-dimensional (1D) stellar modeling of this intrinsically multi-dimensional dynamic event is likely to be inadequate. Previous hydrodynamic simulations imply that the single convection zone in the helium core of metal-rich Pop I stars grows during the flash on a dynamic timescale. This may lead to hydrogen injection into the core and to a double convection zone structure as known from one-dimensional core helium flash simulations of low-mass Pop III stars. Aims: We perform hydrodynamic simulations of the core helium flash in two and three dimensions to better constrain the nature of these events. To this end we study the hydrodynamics of convection within the helium cores of a 1.25 M_⊙ metal-rich Pop I star (Z = 0.02), and, for the first time, a 0.85 M_⊙ metal-free Pop III star (Z = 0) near the peak of the flash. These models possess single and double convection zones, respectively. Methods: We use 1D stellar models of the core helium flash computed with state-of-the-art stellar evolution codes as initial models for our multidimensional hydrodynamic study, and simulate the evolution of these models with the Riemann solver based hydrodynamics code Herakles, which integrates the Euler equations coupled with source terms corresponding to gravity and nuclear burning. Results: The hydrodynamic simulation of the Pop I model involving a single convection zone covers 27 h of stellar evolution, while the hydrodynamic simulations of a double convection zone, in the Pop III model, span 1.8 h of stellar life. We find differences between the predictions of mixing length theory and our hydrodynamic simulations. The simulation of the single convection zone in the Pop I model shows a strong growth of the size of the convection zone due to turbulent entrainment. We therefore predict that for the Pop I model a hydrogen injection

  8. Optical properties of the Eu(III)-La(III)-complex-doped polyolefine film and rod samples

    Science.gov (United States)

    Pogreb, Roman; Popov, Oleg; Lirtsman, Vlad; Pyshkin, Oleg; Kazachkov, Alexander; Musin, Albina; Finkelshtein, Binyamin; Shmukler, Yuri; Davidov, Dan; Bormashenko, Edward

    2005-04-01

    The work is devoted to luminescent properties of trivalent lanthanide complexes dispersed in thermoplastic host matrices. Polyethylene-based film and polypropylene-based rod both doped with these complexes were manufactured using an extrusion technique. Two kinds of dopants were used: Eu(III)-thenoyltrifluoroacetone-1,10-phenanthroline complex (Eu(III)) and Eu(III)-La(III)-1,10-phenanthroline complex (Eu(III)-La(III)). Comparison was made between these samples regarding absorption, excitation, emission and a lifetime of luminescence. Dependence of emission intensity on the excitation energy was determined. Emission spectra of the films were studied at room and helium temperatures. Optical properties of Eu(III) samples are different from Eu(III)-La(III) samples. Significant difference in spectra of these two types of samples may be attributed to the La(III) action.

  9. Development of demographic norms for four new WAIS-III/WMS-III indexes.

    Science.gov (United States)

    Lange, Rael T; Chelune, Gordon J; Taylor, Michael J; Woodward, Todd S; Heaton, Robert K

    2006-06-01

    Following the publication of the third edition Wechsler scales (i.e., WAIS-III and WMS-III), demographically corrected norms were made available in the form of a computerized scoring program (i.e., WAIS-III/WMS-III/WIAT-II Scoring Assistant). These norms correct for age, gender, ethnicity, and education. Since then, four new indexes have been developed: the WAIS-III General Ability Index, the WMS-III Delayed Memory Index, and the two alternate Immediate and Delayed Memory Indexes. The purpose of this study was to develop demographically corrected norms for the four new indexes using the standardization sample and education oversample from the WAIS-III and WMS-III. These norms were developed using the same methodology as the demographically corrected norms made available in the WAIS-III/WMS-III/WIAT-II Scoring Assistant.

  10. Subsurface dimerization in III-V semiconductor (001) surfaces

    DEFF Research Database (Denmark)

    Kumpf, C.; Marks, L.D.; Ellis, D.

    2001-01-01

    We present the atomic structure of the c(8 X 2) reconstructions of InSb-, InAs-, and GaAs-(001) surfaces as determined by surface x-ray diffraction using direct methods. Contrary to common belief, group III dimers are not prominent on the surface, instead subsurface dimerization of group m atoms ...... takes place in the second bilayer, accompanied by a major rearrangement of the surface atoms above the dimers to form linear arrays. By varying the occupancies of four surface sites the (001)-c(8 X 2) reconstructions of III-V semiconductors can be described in a unified model....

  11. REVIEW OF THE NEGOTIATION OF THE MODEL PROTOCOL ADDITIONAL TO THE AGREEMENT(S) BETWEEN STATE(S) AND THE INTERNATIONAL ATOMIC ENERGY AGENCY FOR THE APPLICATION OF SAFEGUARDS, INFCIRC/540 (Corrected) VOLUME III/III, IAEA COMMITTEE 24, DEVELOPMENT OF INFCIRC/540, ARTICLE-BY-ARTICLE REVIEW (1996-1997).

    Energy Technology Data Exchange (ETDEWEB)

    Rosenthal, M.D.; Houck, F.

    2010-01-01

    In this section of the report, the development of INFCIRC/540 is traced by a compilation of citations from the IAEA documents presented to the Board of Governors and the records of discussions in the Board that took place prior to the establishment of Committee 24 as well as the documents and discussions of that committee. The evolution of the text is presented separately for each article or, for the more complex articles, for each paragraph or group of paragraphs of the article. This section covers all articles, including those involving no issues. Background, issues, interpretations and conclusions, which were addressed in Volumes I, II, and III are not repeated here. The comments by states that are included are generally limited to objections and suggested changes. Requests for clarification or elaboration have been omitted, although it is recognized that such comments were sometimes veiled objections.

  12. Solvolysis of the Tumor-Inhibiting Ru(III)-Complex trans-Tetrachlorobis(Indazole)Ruthenate(III)

    OpenAIRE

    Pieper, Thomas; Peti, Wolfgang; Keppler, Bernhard K.

    2000-01-01

    The ruthenium(III) complex Hlnd trans-[RuCl4,(ind)2], with two trans-standing indazole (ind) ligands bound to ruthenium via nitrogen, shows remarkable activity in different tumor models in vitro and in vivo. The solvolysis of the complex trans-[RuCl4,(ind)2]- has been investigated by means of spectroscopic techniques (UV/vis, NMR)in different solvents. We investigated the indazolium as well as the sodium salt, the latter showing improved solubility in water. In aqueous acetonitrile and ethano...

  13. Local and Global Radiative Feedback from Population III Star Formation

    CERN Document Server

    O'Shea, Brian W

    2010-01-01

    We present an overview of recent work that focuses on understanding the radiative feedback processes that are potentially important during Population III star formation. Specifically, we examine the effect of the Lyman-Werner (photodissociating) background on the early stages of primordial star formation, which serves to delay the onset of star formation in a given halo but never suppresses it entirely. We also examine the effect that both photodissociating and ionizing radiation in I-fronts from nearby stellar systems have on the formation of primordial protostellar clouds. Depending on the strength of the incoming radiation field and the central density of the halos, Pop III star formation can be suppressed, unaffected, or even enhanced. Understanding these and other effects is crucial to modeling Population III star formation and to building the earliest generations of galaxies in the Universe.

  14. Some Considerations Regarding the Implementation of Basel III

    Directory of Open Access Journals (Sweden)

    Mihai Dorel Vlad

    2016-09-01

    Full Text Available Basel III represents a basic revision of the banking industry regulatory and supervisory framework for the future, the objective being the stability consolidation of the financial system. The objective of this article is to analyze the impact of the Basel III implementation upon the banking system at the European level, and respectively, upon the banking system of Romania. Basel III standards have been elaborated as a response of the 2008 financial crisis and are considered as vital for the assurance of financial institution capitalization against future financial shocks. The new standards have as an object the improvement of risk management, increased requirements of transparency and publication of credit institutions, as well as solving the banks problems of systemical importance. The measures that the credit institutions could adopt in order to mitigate the impact of alignment to the new standards are adjusting the business model and restructuring bank balance sheets.

  15. The Challenges of Basel III for Romanian Banking System

    Directory of Open Access Journals (Sweden)

    Anca Elena NUCU

    2011-12-01

    Full Text Available Basel III represents a fundamental review of the regulatory and supervision framework of the banking industry in the future, the aim being to strengthen the stability of the financial system. The purpose of this paper is to analyze the impact of Basel III introduction upon the banking system at European level, respectively, upon the Romanian banking system. If at European level it is estimated a substantial deficit in capital and liquidity, with major impact on profitability indicators, the impact of Basel III upon banking system in Romania is considered to be limited. The measures which credit institutions could take to mitigate the impact of alignment with the new standards are business model adjustment and balance sheet restructuring.

  16. Antithrombin III for critically ill patients

    DEFF Research Database (Denmark)

    Allingstrup, Mikkel; Wetterslev, Jørn; Ravn, Frederikke B

    2016-01-01

    , bleeding events, the effect on sepsis and disseminated intravascular coagulation (DIC) and the length of stay in the intensive care unit (ICU) and in hospital in general.  Search methods: We searched the following databases from inception to 27 August 2015: Cochrane Central Register of Controlled Trials...... data and resolved any disagreements by discussion. We presented pooled estimates of the intervention effects on dichotomous outcomes as risk ratios (RR) with 95% confidence intervals (CI). We performed subgroup analyses to assess risk of bias, the effect of AT III in different populations (sepsis......). For participants with severe sepsis and DIC the RR for mortality was non-significant, 0.95 (95% Cl 0.88 to 1.03, I2 statistic = 0%, fixed-effect model, 12 trials, 2858 participants, moderate quality of evidence). We conducted 14 subgroup and sensitivity analyses with respect to the different domains of risk...

  17. Possible Population III Remnants at Redshift 3.5

    CERN Document Server

    Crighton, Neil H M; Murphy, Michael T

    2015-01-01

    The first stars, known as Population III (PopIII), produced the first heavy elements, thereby enriching their surrounding pristine gas. Previous detections of metals in intergalactic gas clouds, however, find a heavy element enrichment larger than $1/1000$ times that of the solar environment, higher than expected for PopIII remnants. In this letter we report the discovery of a Lyman limit system (LLS) at $z=3.53$ with the lowest metallicity seen in gas with discernable metals, $10^{-3.41\\pm0.26}$ times the solar value, at a level expected for PopIII remnants. We make the first relative abundance measurement in such low metallicity gas: the carbon-to-silicon ratio is $10^{-0.26\\pm0.17}$ times the solar value. This is consistent with models of gas enrichment by a PopIII star formation event early in the Universe, but also consistent with later, Population II enrichment. The metals in all three components comprising the LLS, which has a velocity width of 400 km s$^{-1}$, are offset in velocity by $\\sim+6$ km s$^...

  18. Transformational III-V Electronics

    KAUST Repository

    Nour, Maha A.

    2014-04-01

    Flexible electronics using III-V materials for nano-electronics with high electron mobility and optoelectronics with direct band gap are attractive for many applications. This thesis describes a complementary metal oxide semiconductor (CMOS) compatible process for transforming traditional III-V materials based electronics into flexible one. The thesis reports releasing 200 nm of Gallium Arsenide (GaAs) from 200 nm GaAs / 300 nm Aluminum Arsenide (AlAs) stack on GaAs substrate using diluted hydrofluoric acid (HF). This process enables releasing a single top layer compared to peeling off all layers with small sizes at the same time. This is done utilizing a network of release holes that contributes to the better transparency (45 % at 724 nm wavelengths) observed. Fabrication of metal oxide semiconductor capacitor (MOSCAPs) on GaAs is followed by releasing it to have devices on flexible 200 nm GaAs. Similarly, flexible GaSb and InP fabrication process is also reported to transform traditional electronics into large-area flexible electronics.

  19. Archform comparisons between skeletal class II and III malocclusions.

    Science.gov (United States)

    Zou, Wei; Wu, JiaQi; Jiang, JiuHui; Xu, TianMin; Li, CuiYing

    2014-01-01

    The purpose of this cross-sectional research was to explore the relationship of the mandibular dental and basal bone archforms between severe Skeletal Class II (SC2) and Skeletal Class III (SC3) malocclusions. We also compared intercanine and intermolar widths in these two malocclusion types. Thirty-three virtual pretreatment mandibular models (Skeletal Class III group) and Thirty-five Skeletal Class II group pretreatment models were created with a laser scanning system. FA (the midpoint of the facial axis of the clinical crown)and WALA points (the most prominent point on the soft-tissue ridge)were employed to produce dental and basal bone archforms, respectively. Gained scatter diagrams of the samples were processed by nonlinear regression analysis via SPSS 17.0. The mandibular dental and basal bone intercanine and intermolar widths were significantly greater in the Skeletal Class III group compared to the Skeletal Class II group. In both groups, a moderate correlation existed between dental and basal bone arch widths in the canine region, and a high correlation existed between dental and basal bone arch widths in the molar region. The coefficient of correlation of the Skeletal Class III group was greater than the Skeletal Class II group. Fourth degree, even order power functions were used as best-fit functions to fit the scatter plots. The radius of curvature was larger in Skeletal Class III malocclusions compared to Skeletal Class II malocclusions (rWALA3>rWALA2>rFA3>rFA2). In conclusion, mandibular dental and basal intercanine and intermolar widths were significantly different between the two groups. Compared with Skeletal Class II subjects, the mandibular archform was more flat for Skeletal Class III subjects.

  20. Formation pathway of Population III coalescing binary black holes through stable mass transfer

    Science.gov (United States)

    Inayoshi, Kohei; Hirai, Ryosuke; Kinugawa, Tomoya; Hotokezaka, Kenta

    2017-07-01

    We study the formation of stellar mass binary black holes (BBHs) originating from Population III (PopIII) stars, performing stellar evolution simulations for PopIII binaries with mesa. We find that a significant fraction of PopIII binaries form massive BBHs through stable mass transfer between two stars in a binary, without experiencing common envelope phases. We investigate necessary conditions required for PopIII binaries to form coalescing BBHs with a semi-analytical model calibrated by the stellar evolution simulations. The BBH formation efficiency is estimated for two different initial conditions for PopIII binaries with large and small separations, respectively. Consequently, in both models, ˜10 per cent of the total PopIII binaries form BBHs only through stable mass transfer and ˜10 per cent of these BBHs merge due to gravitational wave emission within the Hubble time. Furthermore, the chirp mass of merging BBHs has a flat distribution over 15 ≲ Mchirp/M⊙ ≲ 35. This formation pathway of PopIII BBHs is presumably robust because stable mass transfer is less uncertain than common envelope evolution, which is the main formation channel for Population II BBHs. We also test the hypothesis that the BBH mergers detected by LIGO originate from PopIII stars using the total number of PopIII stars formed in the early universe as inferred from the optical depth measured by Planck. We conclude that the PopIII BBH formation scenario can explain the mass-weighted merger rate of the LIGO's O1 events with the maximal PopIII formation efficiency inferred from the Planck measurement, even without BBHs formed by unstable mass transfer or common envelope phases.

  1. Discontinuities and bands alignments of strain-balanced III-V-N/III-V-Bi heterojunctions for mid-infrared photodetectors

    Science.gov (United States)

    Chakir, K.; Bilel, C.; Habchi, M. M.; Rebey, A.

    2017-02-01

    We have developed a 10- and 14-band anticrossing (BAC) models to investigate the band structures of dilute nitrides and dilute bismides alloys. In fact, the addition of Bi or N to III-V semiconductors causes a significant reduction in the band gap energy and an enhancement of the spin-orbit splitting energy. Further, the conduction and valence offsets between III-V-N/III-V-Bi were also investigated for different nitrogen and bismuth concentrations. For III-V-N/III-V-Bi heterojunctions, the strain-balanced criteria were undertaken by the zero stress analysis. The band alignment of strain-balanced GaAsN/GaAsBi, InPN/InPBi and InAsN/InAsBi is a type II. For InSbN/InSbBi heterostructure, the band lineup can be type I or II.

  2. Kinetics of Microbial Fe(III) Reduction: From the Laboratory to the Field

    Science.gov (United States)

    Bonneville, S.; van Cappellen, P.; Behrends, T.; Hyacinthe, C.

    2005-12-01

    A kinetic model for the direct microbial reduction of Fe(III)solids in the presence of excess electron donor is presented. The model assumes a two-step mechanism: (i) mutual attachment of Fe(III) solids and cells, and (ii) reduction of Fe(III) centers at the surface of attached mineral particles. The validity of the model is tested using Shewanella putrefaciens and nanohematite as model dissimilatory iron reducing bacteria and Fe(III) solid, respectively. The results demonstrate that the iron reduction rates correlate linearly with the relative coverage of the cell surface by nanohematite, hence supporting a direct electron transfer from membrane-bound reductases to the mineral surface. The model is extended to the reduction by S. putrefaciens of other Fe(III) oxyhydroxides, as well as Fe(III)-rich natural sediments. The maximum reduction rates per cell of Fe(III)oxyhydroxides are shown to correlate with the solubility of the solid phases, while the half-saturation constants depend on the solid to cell ratio. The implications of the laboratory-based kinetics for including microbial iron reduction in reactive transport models of natural porous media are discussed.

  3. Figuras III, de Gerard Genette

    OpenAIRE

    Castany Prado, Bernat

    2008-01-01

    Borges decía que son clásicos aquellos libros que uno conoce antes de haberlos leído. Quizás en este sentido (sin duda en muchos otros) podemos afirmar que Figuras III, de Gérard Genette ,es un clásico. Se trata, sin embargo, de un libro de lectura lenta y, en ocasiones, confusa que quizás sea necesario resumir y sistematizar. El propósito de esta reseña, claro está, no es sustituir la lectura individual del mismo, sino , en todo caso, como si de una guía de viajes se tratase, introducir y an...

  4. The core helium flash revisited III. From Pop I to Pop III stars

    CERN Document Server

    Mocak, Miroslav; Mueller, Ewald; Kifonidis, Konstantinos

    2010-01-01

    Degenerate ignition of helium in low-mass stars at the end of the red giant branch phase leads to dynamic convection in their helium cores. One-dimensional (1D) stellar modeling of this intrinsically multi-dimensional dynamic event is likely to be inadequate. Previous hydrodynamic simulations imply that the single convection zone in the helium core of metal-rich Pop I stars grows during the flash on a dynamic timescale. This may lead to hydrogen injection into the core, and a double convection zone structure as known from one-dimensional core helium flash simulations of low-mass Pop III stars. We perform hydrodynamic simulations of the core helium flash in two and three dimensions to better constrain the nature of these events. To this end we study the hydrodynamics of convection within the helium cores of a 1.25 \\Msun metal-rich Pop I star (Z=0.02), and a 0.85 \\Msun metal-free Pop III star (Z=0) near the peak of the flash. These models possess single and double convection zones, respectively. We use 1D stell...

  5. DOE/NNSA perspective safeguard by design: GEN III/III+ light water reactors and beyond

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Paul Y [Los Alamos National Laboratory

    2010-12-10

    An overview of key issues relevant to safeguards by design (SBD) for GEN III/IV nuclear reactors is provided. Lessons learned from construction of typical GEN III+ water reactors with respect to SBD are highlighted. Details of SBD for safeguards guidance development for GEN III/III+ light water reactors are developed and reported. This paper also identifies technical challenges to extend SBD including proliferation resistance methodologies to other GEN III/III+ reactors (except HWRs) and GEN IV reactors because of their immaturity in designs.

  6. A new family of [Cu(II)Ln(III)M(V)] heterotrimetallic complexes (Ln = La, Gd, Tb; M = Mo, W): model systems to probe exchange interactions and single-molecule magnet properties.

    Science.gov (United States)

    Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M; Jeon, Ie-Rang; Mathonière, Corine; Clérac, Rodolphe; Andruh, Marius

    2016-05-01

    Four isostructural trinuclear 3d-4f-4(5)d heterotrimetallic complexes, with the general formula [L(2)CuLn(H2O)5(μ-NC)M(CN)7], were obtained from the association of binuclear 3d-4f complexes and {M(V)(CN)8}(3-) metalloligands (M = Mo, Ln = La ; M = W, Ln = La ; M = Mo, Ln = Gd ; M = Mo; Ln = Tb , where H2L(2) = 1,2-ethanediylbis(2-iminomethylene-6-methoxy-phenol)). The metalloligand coordinates through a single-cyanido group at the apical position of the copper(ii) ion belonging to the {Cu(II)Ln(III)} binuclear complex. The analysis of the magnetic data for the La(iii) derivatives (compounds and ), in the 1.85-300 K temperature range, shows a weak ferromagnetic exchange interaction between Cu(II) and Mo(V)/W(V) ions across the cyanido bridge (JCuM/kB = 3.6(6) K; g = 2.23(5) for and JCuM/kB = 3.8(6) K, g = 2.21(5) for , with H = -2JCuMSCu·SM). These results were used to simulate the magnetic properties of compound , using the isotropic spin Hamiltonian H = -2JCuMoSCu·SMo - 2JCuGdSCu·SGd. The resulting magnetic interaction between Cu(II) and Gd(III) ions via the phenoxo-bridge was found to be weakly ferromagnetic (JCuGd/kB = +4.5(2) K with JCuMo/kB = +3.6(2) K, gGd = gCu = 2.00 and gMo = 1.98). The dc magnetic properties for compound also show a predominant ferromagnetic interaction, while the ac magnetic measurements indicate the presence of the slow relaxation of the magnetization below 3.5 K.

  7. AUTOCLASS III - AUTOMATIC CLASS DISCOVERY FROM DATA

    Science.gov (United States)

    Cheeseman, P. C.

    1994-01-01

    The program AUTOCLASS III, Automatic Class Discovery from Data, uses Bayesian probability theory to provide a simple and extensible approach to problems such as classification and general mixture separation. Its theoretical basis is free from ad hoc quantities, and in particular free of any measures which alter the data to suit the needs of the program. As a result, the elementary classification model used lends itself easily to extensions. The standard approach to classification in much of artificial intelligence and statistical pattern recognition research involves partitioning of the data into separate subsets, known as classes. AUTOCLASS III uses the Bayesian approach in which classes are described by probability distributions over the attributes of the objects, specified by a model function and its parameters. The calculation of the probability of each object's membership in each class provides a more intuitive classification than absolute partitioning techniques. AUTOCLASS III is applicable to most data sets consisting of independent instances, each described by a fixed length vector of attribute values. An attribute value may be a number, one of a set of attribute specific symbols, or omitted. The user specifies a class probability distribution function by associating attribute sets with supplied likelihood function terms. AUTOCLASS then searches in the space of class numbers and parameters for the maximally probable combination. It returns the set of class probability function parameters, and the class membership probabilities for each data instance. AUTOCLASS III is written in Common Lisp, and is designed to be platform independent. This program has been successfully run on Symbolics and Explorer Lisp machines. It has been successfully used with the following implementations of Common LISP on the Sun: Franz Allegro CL, Lucid Common Lisp, and Austin Kyoto Common Lisp and similar UNIX platforms; under the Lucid Common Lisp implementations on VAX/VMS v5

  8. Characterization of ribonuclease III from Brucella.

    Science.gov (United States)

    Wu, Chang-Xian; Xu, Xian-Jin; Zheng, Ke; Liu, Fang; Yang, Xu-Dong; Chen, Chuang-Fu; Chen, Huan-Chun; Liu, Zheng-Fei

    2016-04-01

    Bacterial ribonuclease III (RNase III) is a highly conserved endonuclease, which plays pivotal roles in RNA maturation and decay pathways by cleaving double-stranded structure of RNAs. Here we cloned rncS gene from the genomic DNA of Brucella melitensis, and analyzed the cleavage properties of RNase III from Brucella. We identified Brucella-encoding small RNA (sRNA) by high-throughput sequencing and northern blot, and found that sRNA of Brucella and Homo miRNA precursor (pre-miRNA) can be bound and cleaved by B.melitensis ribonuclease III (Bm-RNase III). Cleavage activity of Bm-RNase III is bivalent metal cations- and alkaline buffer-dependent. We constructed several point mutations in Bm-RNase III, whose cleavage activity indicated that the 133th Glutamic acid residue was required for catalytic activity. Western blot revealed that Bm-RNase III was differently expressed in Brucella virulence strain 027 and vaccine strain M5-90. Collectively, our data suggest that Brucella RNase III can efficiently bind and cleave stem-loop structure of small RNA, and might participate in regulation of virulence in Brucella.

  9. Malocclusion class III treatment in teething decidua.

    OpenAIRE

    Chávez Sevillano, Manuel Gustavo; Departamento Académico de Estomatología Pediátrica, Facultad de Odontología de la Universidad Nacional Mayor de San Marcos, Lima, Perú.

    2014-01-01

    According as age increases, growth decreases and Class III skeletal patterns become more stable. The objective of Class III malocclusion’s treatment in primary dentition is to get a favorable environment to achieve a better dentofacial development. This article’s objective is to give a theorical summary about treatment of Class III malocclusions in primary dentition, and to present a case report. A medida que aumenta la edad, la cuantía de crecimiento disminuye y las clases III esquelética...

  10. Limits on Population III star formation with the most iron-poor stars

    Science.gov (United States)

    de Bennassuti, M.; Salvadori, S.; Schneider, R.; Valiante, R.; Omukai, K.

    2017-02-01

    We study the impact of star-forming minihaloes, and the initial mass function (IMF) of Population III (Pop III) stars, on the Galactic halo metallicity distribution function (MDF) and on the properties of C-enhanced and C-normal stars at [Fe/H] sampling of the Pop III IMF. We find that only when star-forming minihaloes are included the low-Fe tail of the MDF is correctly reproduced, showing a plateau that is built up by C-enhanced metal-poor stars imprinted by primordial faint supernovae. The incomplete sampling of the Pop III IMF in inefficiently star-forming minihaloes (50 per cent level by PISNe are thus extremely rare, corresponding to ≈0.25 per cent of the total stellar population at [Fe/H] < -2, which is consistent with recent observations. The low-Fe tail of the MDF strongly depends on the Pop III IMF shape and mass range. Given the current statistics, we find that a flat Pop III IMF model with mPopIII = [10-300] M⊙ is disfavoured by observations. We present testable predictions for Pop III stars extending down to lower masses, with mPopIII = [0.1-300] M⊙.

  11. Simultaneous oxidation and adsorption of As(III) from water by cerium modified chitosan ultrafine nanobiosorbent.

    Science.gov (United States)

    Zhang, Lingfan; Zhu, Tianyi; Liu, Xin; Zhang, Wenqing

    2016-05-05

    Since most existing arsenic removal adsorbents are difficult to effectively remove arsenite (As(III)), an urgent need is to develop an efficient adsorbent for removing As(III) from contaminated water. In this study, a novel ultrafine nanobiosorbent of cerium modified chitosan (Ce-CNB) with simultaneous oxidation and adsorption As(III) performance has been successfully developed. The resulting Ce-CNB with or without As(III) adsorption was characterized by FTIR, XRD, SEM, EDS, TEM, EMI and XPS analysis. Batch of adsorption experiments were performed to investigate the effects of various conditions on the As(III) adsorption. The adsorption behaviors were well described by the Langmuir isotherm and the pseudo-second-order kinetic model, with the maximum adsorption capacities of 57.5 mg g(-1). The adsorption mechanisms for As(III) were (i) formed monodentate and bidentate complexes between hydroxyl groups and arsenite; and (ii) partial As(III) oxidized to As(V) followed by simultaneously adsorbed on the surface of Ce-CNB. This novel nanocomposite can be reused while maintaining a high removal efficiency and can be applied to treat 5.8L of As(III)-polluted water with the effluent concentration lower than the World Health Organization standard, which suggests its great potential to remove As(III) from contaminated water.

  12. Galleria mellonella apolipophorin III - an apolipoprotein with anti-Legionella pneumophila activity.

    Science.gov (United States)

    Zdybicka-Barabas, Agnieszka; Palusińska-Szysz, Marta; Gruszecki, Wiesław I; Mak, Paweł; Cytryńska, Małgorzata

    2014-10-01

    The greater wax moth Galleria mellonella has been exploited worldwide as an alternative model host for studying pathogenicity and virulence factors of different pathogens, including Legionella pneumophila, a causative agent of a severe form of pneumonia called Legionnaires' disease. An important role in the insect immune response against invading pathogens is played by apolipophorin III (apoLp-III), a lipid- and pathogen associated molecular pattern-binding protein able to inhibit growth of some Gram-negative bacteria, including Legionella dumoffii. In the present study, anti-L. pneumophila activity of G. mellonella apoLp-III and the effects of the interaction of this protein with L. pneumophila cells are demonstrated. Alterations in the bacteria cell surface occurring upon apoLp-III treatment, revealed by Fourier transform infrared (FTIR) spectroscopy and atomic force microscopy, are also documented. ApoLp-III interactions with purified L. pneumophila LPS, an essential virulence factor of the bacteria, were analysed using electrophoresis and immunoblotting with anti-apoLp-III antibodies. Moreover, FTIR spectroscopy was used to gain detailed information on the type of conformational changes in L. pneumophila LPS and G. mellonella apoLp-III induced by their mutual interactions. The results indicate that apoLp-III binding to components of bacterial cell envelope, including LPS, may be responsible for anti-L. pneumophila activity of G. mellonella apoLp-III.

  13. LuIII parvovirus selectively and efficiently targets, replicates in, and kills human glioma cells.

    Science.gov (United States)

    Paglino, Justin C; Ozduman, Koray; van den Pol, Anthony N

    2012-07-01

    Because productive infection by parvoviruses requires cell division and is enhanced by oncogenic transformation, some parvoviruses may have potential utility in killing cancer cells. To identify the parvovirus(es) with the optimal oncolytic effect against human glioblastomas, we screened 12 parvoviruses at a high multiplicity of infection (MOI). MVMi, MVMc, MVM-G17, tumor virus X (TVX), canine parvovirus (CPV), porcine parvovirus (PPV), rat parvovirus 1A (RPV1A), and H-3 were relatively ineffective. The four viruses with the greatest oncolytic activity, LuIII, H-1, MVMp, and MVM-G52, were tested for the ability, at a low MOI, to progressively infect the culture over time, causing cell death at a rate higher than that of cell proliferation. LuIII alone was effective in all five human glioblastomas tested. H-1 progressively infected only two of five; MVMp and MVM-G52 were ineffective in all five. To investigate the underlying mechanism of LuIII's phenotype, we used recombinant parvoviruses with the LuIII capsid replacing the MVMp capsid or with molecular alteration of the P4 promoter. The LuIII capsid enhanced efficient replication and oncolysis in MO59J gliomas cells; other gliomas tested required the entire LuIII genome to exhibit enhanced infection. LuIII selectively infected glioma cells over normal glial cells in vitro. In mouse models, human glioblastoma xenografts were selectively infected by LuIII when administered intratumorally; LuIII reduced tumor growth by 75%. LuIII also had the capacity to selectively infect subcutaneous or intracranial gliomas after intravenous inoculation. Intravenous or intracranial LuIII caused no adverse effects. Intracranial LuIII caused no infection of mature mouse neurons or glia in vivo but showed a modest infection of developing neurons.

  14. Simultaneous oxidation and adsorption of As(III) from water by cerium modified chitosan ultrafine nanobiosorbent

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Lingfan [School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237 (China); Research Center of Analysis and Test, East China University of Science and Technology, Shanghai 200237 (China); Zhu, Tianyi [School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237 (China); Liu, Xin, E-mail: liuxin@ecust.edu.cn [School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237 (China); Zhang, Wenqing, E-mail: zhwqing@ecust.edu.cn [School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai 200237 (China)

    2016-05-05

    Highlights: • A novel ultrafine nanobiosorbent of cerium modified chitosan (Ce-CNB) was prepared. • The Ce-CNB possessed properties for simultaneous oxidation and adsorption As(III). • Adsorption of As(III) by Ce-CNB was in high efficiency. • Mechanisms for As(III) adsorption on Ce-CNB were elucidated. - Abstract: Since most existing arsenic removal adsorbents are difficult to effectively remove arsenite (As(III)), an urgent need is to develop an efficient adsorbent for removing As(III) from contaminated water. In this study, a novel ultrafine nanobiosorbent of cerium modified chitosan (Ce-CNB) with simultaneous oxidation and adsorption As(III) performance has been successfully developed. The resulting Ce-CNB with or without As(III) adsorption was characterized by FTIR, XRD, SEM, EDS, TEM, EMI and XPS analysis. Batch of adsorption experiments were performed to investigate the effects of various conditions on the As(III) adsorption. The adsorption behaviors were well described by the Langmuir isotherm and the pseudo-second-order kinetic model, with the maximum adsorption capacities of 57.5 mg g{sup −1}. The adsorption mechanisms for As(III) were (i) formed monodentate and bidentate complexes between hydroxyl groups and arsenite; and (ii) partial As(III) oxidized to As(V) followed by simultaneously adsorbed on the surface of Ce-CNB. This novel nanocomposite can be reused while maintaining a high removal efficiency and can be applied to treat 5.8 L of As(III)-polluted water with the effluent concentration lower than the World Health Organization standard, which suggests its great potential to remove As(III) from contaminated water.

  15. Heterotrimetallic coordination polymers: {Cu(II)Ln(III)Fe(III)} chains and {Ni(II)Ln(III)Fe(III)} layers: synthesis, crystal structures, and magnetic properties.

    Science.gov (United States)

    Alexandru, Maria-Gabriela; Visinescu, Diana; Andruh, Marius; Marino, Nadia; Armentano, Donatella; Cano, Joan; Lloret, Francesc; Julve, Miguel

    2015-03-27

    The use of the [Fe(III) (AA)(CN)4](-) complex anion as metalloligand towards the preformed [Cu(II) (valpn)Ln(III)](3+) or [Ni(II) (valpn)Ln(III) ](3+) heterometallic complex cations (AA=2,2'-bipyridine (bipy) and 1,10-phenathroline (phen); H2 valpn=1,3-propanediyl-bis(2-iminomethylene-6-methoxyphenol)) allowed the preparation of two families of heterotrimetallic complexes: three isostructural 1D coordination polymers of general formula {[Cu(II) (valpn)Ln(III) (H2O)3 (μ-NC)2 Fe(III) (phen)(CN)2 {(μ-NC)Fe(III) (phen)(CN)3}]NO3 ⋅7 H2O}n (Ln=Gd (1), Tb (2), and Dy (3)) and the trinuclear complex [Cu(II) (valpn)La(III) (OH2 )3 (O2 NO)(μ-NC)Fe(III) (phen)(CN)3 ]⋅NO3 ⋅H2O⋅CH3 CN (4) were obtained with the [Cu(II) (valpn)Ln(III)](3+) assembling unit, whereas three isostructural heterotrimetallic 2D networks, {[Ni(II) (valpn)Ln(III) (ONO2 )2 (H2 O)(μ-NC)3 Fe(III) (bipy)(CN)]⋅2 H2 O⋅2 CH3 CN}n (Ln=Gd (5), Tb (6), and Dy (7)) resulted with the related [Ni(II) (valpn)Ln(III) ](3+) precursor. The crystal structure of compound 4 consists of discrete heterotrimetallic complex cations, [Cu(II) (valpn)La(III) (OH2)3 (O2 NO)(μ-NC)Fe(III) (phen)(CN)3 ](+), nitrate counterions, and non-coordinate water and acetonitrile molecules. The heteroleptic {Fe(III) (bipy)(CN)4} moiety in 5-7 acts as a tris-monodentate ligand towards three {Ni(II) (valpn)Ln(III)} binuclear nodes leading to heterotrimetallic 2D networks. The ferromagnetic interaction through the diphenoxo bridge in the Cu(II)-Ln(III) (1-3) and Ni(II)-Ln(III) (5-7) units, as well as through the single cyanide bridge between the Fe(III) and either Ni(II) (5-7) or Cu(II) (4) account for the overall ferromagnetic behavior observed in 1-7. DFT-type calculations were performed to substantiate the magnetic interactions in 1, 4, and 5. Interestingly, compound 6 exhibits slow relaxation of the magnetization with maxima of the out-of-phase ac signals below 4.0 K in the lack of a dc field, the values of the pre

  16. Photoluminescence profile imaging of Eu(III), Tb(III) and Eu(III)/Tb(III)-doped yttrium oxide nanosheets and nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Insu [Department of Chemistry, Yeungnam University, Gyeongsan, Gyeongbuk 712749 (Korea, Republic of); Kang, Jun-Gill, E-mail: jgkang@cnu.ac.kr [Department of Chemistry, Chungnam National University, Daejeon 305764 (Korea, Republic of); Sohn, Youngku, E-mail: youngkusohn@ynu.ac.kr [Department of Chemistry, Yeungnam University, Gyeongsan, Gyeongbuk 712749 (Korea, Republic of)

    2015-01-15

    Eu(III), Tb(III) and Eu(III)/Tb(III)-doped Y{sub 2}O{sub 3} nanosheets and nanorods were prepared by hydrothermal synthesis and post-thermal treatment. Their morphology, crystallinity, photoluminescence and UV–visible absorption profiles were fully examined by scanning electron microscopy (SEM), X-ray diffraction (XRD) crystallography, photoluminescence imaging and UV–vis absorption spectroscopy. The as-prepared samples commonly showed the crystal structure of Y{sub 4}O(OH){sub 9}NO{sub 3}, which crystallized to cubic phase Y{sub 2}O{sub 3} after 550 °C-thermal annealing. The sharp emissions of Eu(III) between 580 and 720 nm were attributed to {sup 5}D{sub 0}→{sup 7}F{sub J} (J=0,1,2,3,4) transitions, and those of Tb(III) between 450 and 720 nm were attributed to {sup 5}D{sub 4}→{sup 7}F{sub J} (J=6,5,4,3) transitions. Energy transfer from Tb(III) to Eu(III) was confirmed by the photoluminescence decay dynamics. In the cubic Y{sub 2}O{sub 3} structure, Eu(III) was embedded at the C{sub 2} symmetry site and dominated by the {sup 5}D{sub 0}→{sup 7}F{sub 2} transition. Conversely, Tb(III) was oxidized to non-luminescent Tb(IV) in the cubic structure. - Highlights: • Eu(III), Tb(III)-doped and codoped Y complex nanorods and nanosheets prepared by a hydrothermal method. • Eu(III), Tb(III)-doped and codoped Y{sub 2}O{sub 3} nanorods and nanosheets prepared by a post-annealing method. • Photoluminescence imaging profiles were fully obtained. • Tb(III) oxidized to Tb(IV) upon thermal annealing in cubic Y{sub 2}O{sub 3} matrix.

  17. High frequency III-V nanowire MOSFETs

    Science.gov (United States)

    Lind, Erik

    2016-09-01

    III-V nanowire transistors are promising candidates for very high frequency electronics applications. The improved electrostatics originating from the gate-all-around geometry allow for more aggressive scaling as compared with planar field-effect transistors, and this can lead to device operation at very high frequencies. The very high mobility possible with In-rich devices can allow very high device performance at low operating voltages. GaN nanowires can take advantage of the large band gap for high voltage operation. In this paper, we review the basic physics and device performance of nanowire field- effect transistors relevant for high frequency performance. First, the geometry of lateral and vertical nanowire field-effect transistors is introduced, with special emphasis on the parasitic capacitances important for nanowire geometries. The basic important high frequency transistor metrics are introduced. Secondly, the scaling properties of gate-all-around nanowire transistors are introduced, based on geometric length scales, demonstrating the scaling possibilities of nanowire transistors. Thirdly, to model nanowire transistor performance, a two-band non-parabolic ballistic transistor model is used to efficiently calculate the current and transconductance as a function of band gap and nanowire size. The intrinsic RF metrics are also estimated. Finally, experimental state-of-the-art nanowire field-effect transistors are reviewed and benchmarked, lateral and vertical transistor geometries are explored, and different fabrication routes are highlighted. Lateral devices have demonstrated operation up to 350 GHz, and vertical devices up to 155 GHz.

  18. Competitive adsorption of As(III), As(V), Sb(III) and Sb(V) onto ferrihydrite in multi-component systems: Implications for mobility and distribution.

    Science.gov (United States)

    Qi, Pengfei; Pichler, Thomas

    2017-05-15

    The simultaneous adsorption behavior and competitive interactions between As(III), As(V), Sb(III) and Sb(V) by ferrihydrite were evaluated in multi-component (binary, ternary, quaternary) systems. In binary systems, Sb(III) had a stronger inhibitory influence on As(III) adsorption than Sb(V) did, and As(V) had a stronger inhibitory effect on Sb(V) adsorption than As(III) did. In ternary systems, NO3(-), PO4(3-) and SO4(2-) did not compete with the adsorption of As(III) and Sb(III). NO3(-) and SO4(2-) also had no distinct effect on the adsorption of As(V) and Sb(V), while PO4(3-) competed with As(V) and Sb(V) for surface sites. In quaternary systems, the simultaneous adsorption behavior of the four redox species was pH dependent. Sb(III) always showed the strongest adsorption affinity regardless of pH. At pH 3.5 As(III) showed the lowest affinity could be due to the presence and negative effect of Sb(III) and As(V). The Freundlich model provided a good fit for the simultaneous adsorption data under quaternary conditions. The study of competitive/simultaneous adsorption of the four possible redox species onto ferrihydrite contributed to a better understanding of their distribution, mobility and fate in the environment. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Synthesis and in vitro microbial evaluation of La(III), Ce(III), Sm(III) and Y(III) metal complexes of vitamin B6 drug

    Science.gov (United States)

    Refat, Moamen S.; Al-Azab, Fathi M.; Al-Maydama, Hussein M. A.; Amin, Ragab R.; Jamil, Yasmin M. S.

    2014-06-01

    Metal complexes of pyridoxine mono hydrochloride (vitamin B6) are prepared using La(III), Ce(III), Sm(III) and Y(III). The resulting complexes are investigated. Some physical properties, conductivity, analytical data and the composition of the four pyridoxine complexes are discussed. The elemental analysis shows that the formed complexes of La(III), Ce(III), Sm(III) and Y(III) with pyridoxine are of 1:2 (metal:PN) molar ratio. All the synthesized complexes are brown in color and possess high melting points. These complexes are partially soluble in hot methanol, dimethylsulfoxide and dimethylformamide and insoluble in water and some other organic solvents. Elemental analysis data, spectroscopic (IR, UV-vis. and florescence), effective magnetic moment in Bohr magnetons and the proton NMR suggest the structures. However, definite particle size is determined by invoking the X-ray powder diffraction and scanning electron microscopy data. The results obtained suggested that pyridoxine reacted with metal ions as a bidentate ligand through its phenolate oxygen and the oxygen of the adjacent group at the 4‧-position. The molar conductance measurements proved that the pyridoxine complexes are electrolytic in nature. The kinetic and thermodynamic parameters such as: Ea, ΔH*, ΔS* and ΔG* were estimated from the DTG curves. The antibacterial evaluation of the pyridoxine and their complexes were also performed against some gram positive, negative bacteria as well as fungi.

  20. Synthesis, spectroscopic and antimicrobial studies of La(III), Ce(III), Sm(III) and Y(III) Metformin HCl chelates

    Science.gov (United States)

    Refat, Moamen S.; Al-Azab, Fathi M.; Al-Maydama, Hussein M. A.; Amin, Ragab R.; Jamil, Yasmin M. S.; Kobeasy, Mohamed I.

    2015-05-01

    Metal complexes of Metformin hydrochloride were prepared using La(III), Ce(III), Sm(III) and Y(III). The resulting complexes were discussed and synthesized to serve as potential insulin-mimetic. Some physical properties and analytical data of the four complexes were checked. The elemental analysis shows that La(III), Ce(III) Sm(III) and Y(III) formed complexes with Metformin in 1:3 (metal:MF) molar ratio. All the synthesized complexes are white and possess high melting points. These complexes are soluble in dimethylsulfoxide and dimethylformamide, partially soluble in hot methanol and insoluble in water and some other organic solvents. From the spectroscopic (infrared, UV-vis and florescence), effective magnetic moment and elemental analyses data, the formula structures are suggested. The results obtained suggested that Metformin reacted with metal ions as a bidentate ligand through its two imino groups. The molar conductance measurements proved that the Metformin complexes are slightly electrolytic in nature. The kinetic thermodynamic parameters such as: E∗, ΔH∗, ΔS∗ and ΔG∗ were estimated from the DTG curves. The antibacterial evaluations of the Metformin and their complexes were also performed against some gram positive, negative bacteria as well as fungi.

  1. Iron(III) spin crossover compounds

    NARCIS (Netherlands)

    van Koningsbruggen, PJ; Maeda, Y; Oshio, H

    2004-01-01

    In this chapter, selected results obtained so far on Fe(III) spin crossover compounds are summarized and discussed. Fe(III) spin transition materials of ligands containing chalcogen donor atoms are considered with emphasis on those of N,N-disubstituted-dithiocarbamates, N,N-disubstituted-XY-carbamat

  2. Genetics Home Reference: mucolipidosis III gamma

    Science.gov (United States)

    ... inside lysosomes, including mucolipidosis III gamma , are called lysosomal storage disorders. The signs and symptoms of mucolipidosis III gamma are most likely due to the shortage of digestive enzymes inside lysosomes and the effects these enzymes have outside the cell. Learn more ...

  3. Explorations: Title III ESEA Programs in Iowa.

    Science.gov (United States)

    Iowa State Dept. of Public Instruction, Des Moines.

    Seventy projects funded by the Elementary and Secondary Education Act, Title III, and providing the funds to public school districts to demonstrate the feasibility of educational innovations, are described in this document about Iowa Title III exemplary programs. Projects are subdivided according to planning grants, operational grants, guidance…

  4. Genes, genetics, and Class III malocclusion.

    Science.gov (United States)

    Xue, F; Wong, R W K; Rabie, A B M

    2010-05-01

    To present current views that are pertinent to the investigation of the genetic etiology of Class III malocclusion. Class III malocclusion is thought to be a polygenic disorder that results from an interaction between susceptibility genes and environmental factors. However, research on family pedigrees has indicated that Class III malocclusion might also be a monogenic dominant phenotype. Recent studies have reported that genes that encode specific growth factors or other signaling molecules are involved in condylar growth under mechanical strain. These genes, which include Indian hedgehog homolog (IHH), parathyroid-hormone like hormone (PTHLH), insulin-like growth factor-1 (IGF-1), and vascular endothelial growth factor (VEGF), and variations in their levels of expression play an important role in the etiology of Class III malocclusion. In addition, genome-wide scans have revealed chromosomal loci that are associated with Class III malocclusion. It is likely that chromosomal loci 1p36, 12q23, and 12q13 harbor genes that confer susceptibility to Class III malocclusion. In a case-control association study, we identified erythrocyte membrane protein band 4.1 (EPB41) to be a new positional candidate gene that might be involved in susceptibility to mandibular prognathism. Most of the earlier studies on the genetic etiology of Class III malocclusion have focused on the patterns of inheritance of this phenotype. Recent investigations have focused on understanding the genetic variables that affect Class III malocclusion and might provide new approaches to uncovering the genetic etiology of this phenotype.

  5. Standards in neurosonology. Part III

    Directory of Open Access Journals (Sweden)

    Joanna Wojczal

    2016-06-01

    Full Text Available The paper presents standards related to ultrasound imaging of the cerebral vasculature and structures. The aim of this paper is to standardize both the performance and description of ultrasound imaging of the extracranial and intracranial cerebral arteries as well as a study of a specific brain structure, i.e. substantia nigra hyperechogenicity. The following aspects are included in the description of standards for each ultrasonographic method: equipment requirements, patient preparation, study technique and documentation as well as the required elements of ultrasound description. Practical criteria for the diagnosis of certain pathologies in accordance with the latest literature were also presented. Furthermore, additional comments were included in some of the sections. Part I discusses standards for the performance, documentation and description of different ultrasound methods (Duplex, Doppler. Part II and III are devoted to standards for specific clinical situations (vasospasm, monitoring after the acute stage of stroke, detection of a right-to-left shunts, confirmation of the arrest of the cerebral circulation, an assessment of the functional efficiency of circle of Willis, an assessment of the cerebrovascular vasomotor reserve as well as the measurement of substantia nigra hyperechogenicity.

  6. Standards in neurosonology. Part III.

    Science.gov (United States)

    Wojczal, Joanna; Tomczyk, Tomasz; Luchowski, Piotr; Kozera, Grzegorz; Kaźmierski, Radosław; Stelmasiak, Zbigniew

    2016-06-01

    The paper presents standards related to ultrasound imaging of the cerebral vasculature and structures. The aim of this paper is to standardize both the performance and description of ultrasound imaging of the extracranial and intracranial cerebral arteries as well as a study of a specific brain structure, i.e. substantia nigra hyperechogenicity. The following aspects are included in the description of standards for each ultrasonographic method: equipment requirements, patient preparation, study technique and documentation as well as the required elements of ultrasound description. Practical criteria for the diagnosis of certain pathologies in accordance with the latest literature were also presented. Furthermore, additional comments were included in some of the sections. Part I discusses standards for the performance, documentation and description of different ultrasound methods (Duplex, Doppler). Part II and III are devoted to standards for specific clinical situations (vasospasm, monitoring after the acute stage of stroke, detection of a right-to-left shunts, confirmation of the arrest of the cerebral circulation, an assessment of the functional efficiency of circle of Willis, an assessment of the cerebrovascular vasomotor reserve as well as the measurement of substantia nigra hyperechogenicity).

  7. Magnetooptical investigations on ferromagnetic III-V-semiconductors; Magnetooptische Untersuchungen an ferromagnetischen III-V-Halbleitern

    Energy Technology Data Exchange (ETDEWEB)

    Winter, Andreas

    2009-07-23

    Magnetooptical Kerr effect (MOKE) and Magnetic Circular Dichroism (MCD) have been used to investigate magnetic as well as bandstructure properties of diluted magnetic III-V-semiconductors containing Mn. In these ferromagnetic systems it has been found that the strength of the observed effects depends linearly on the magnetization of the samples with no influence of the external magnetic field. The magnetooptical effects allowed the recording of hysteresis loops of GaMnAs, GaMnSb, InMnAs and InMnSb samples for different temperatures and in the case of GaMnAs also for different alignments of the external magnetic field with respect to the easy axis of magnetization. The Stoner-Wohlfahrt-Model has been used to describe the resulting shapes of the loops yielding the magnetic anisotropy parameters of the samples. For magnetically saturated samples, spectra of MOKE and MCD have been recorded. Contrary to pure III-V-semiconductors, which exhibit lots of sharp resonances due to interband transitions between Landau levels, III-Mn-V-semi-conductors how only very few (or just one) considerably broad resonance(s). Their spectral position(s) do(es) neither depend upon the magnetic field as it would be the case for pure III-V-semiconductors nor the magnetization. Only the amplitude increases linearly with the magnetization. Utilizing a kp-theory it has been possible to describe the observed dependencies. Valence- and conduction-band are split into Landau levels by the external magnetic field and, in addition to the Zeeman-effect, the spin-levels are split by the exchange interaction between the localized electrons of the Mn ions and the free carriers which is proportional to the magnetization of the samples. This splitting is much bigger than the Landau level splitting. Due to an inhomogeneous distribution of the Mn ions and due to the high carrier density the Landau levels are strongly broadened and their structure is not observable. Owing to the high carrier-concentration in

  8. PEMBERITAAN PENCALONAN RUHUT SITOMPUL MENJADI KETUA KOMISI III DPR RI (Analisis Framing Pemberitaan Pencalonan Ruhut Sitompul Menjadi Ketua Komisi III DPR RI Di Surat Kabar Harian Sindo)

    OpenAIRE

    Barus, B M Vikana Nove Riahta

    2014-01-01

    Penelitian ini mengkaji pemberitaan tentang pencalonan nama Ruhut Sitompul untuk menjadi pimpinan baru di Komisi III DPR RI di Surat Kabar Harian Sindo khususnya biro Yogya. Sehingga, rumusan masalah dari penelitian ini adalah bagaimana surat kabar harian Sindo mengemas pemberitaan pencalonan Ruhut Sitompul menjadi ketua komisi III DPR RI. Berangkat dari cara pengemasan atau pembingkaian media terhadap berita ini, penelitian kemudian menggunakan model framing milik Zhongdang Pan dan Gerald M....

  9. Liquidity Stress-Tester: Do Basel III and Unconventional Monetary Policy Work?

    OpenAIRE

    Jan Willem van den End

    2010-01-01

    This paper presents a macro stress-testing model for liquidity risks of banks, incorporating the proposed Basel III liquidity regulation, unconventional monetary policy and credit supply effects. First and second round (feedback) effects of shocks are simulated by a Monte Carlo approach. Banks react according to the Basel III standards, endogenising liquidity risk. The model shows how banks' reactions interact with extended refinancing operations and asset purchases by the central bank. The r...

  10. Predicting Efficient Antenna Ligands for Tb(III) Emission

    Energy Technology Data Exchange (ETDEWEB)

    Samuel, Amanda P.S.; Xu, Jide; Raymond, Kenneth

    2008-10-06

    A series of highly luminescent Tb(III) complexes of para-substituted 2-hydroxyisophthalamide ligands (5LI-IAM-X) has been prepared (X = H, CH{sub 3}, (C=O)NHCH{sub 3}, SO{sub 3}{sup -}, NO{sub 2}, OCH{sub 3}, F, Cl, Br) to probe the effect of substituting the isophthalamide ring on ligand and Tb(III) emission in order to establish a method for predicting the effects of chromophore modification on Tb(III) luminescence. The energies of the ligand singlet and triplet excited states are found to increase linearly with the {pi}-withdrawing ability of the substituent. The experimental results are supported by time-dependent density functional theory (TD-DFT) calculations performed on model systems, which predict ligand singlet and triplet energies within {approx}5% of the experimental values. The quantum yield ({Phi}) values of the Tb(III) complex increases with the triplet energy of the ligand, which is in part due to the decreased non-radiative deactivation caused by thermal repopulation of the triplet. Together, the experimental and theoretical results serve as a predictive tool that can be used to guide the synthesis of ligands used to sensitize lanthanide luminescence.

  11. Type III restriction-modification enzymes: a historical perspective.

    Science.gov (United States)

    Rao, Desirazu N; Dryden, David T F; Bheemanaik, Shivakumara

    2014-01-01

    Restriction endonucleases interact with DNA at specific sites leading to cleavage of DNA. Bacterial DNA is protected from restriction endonuclease cleavage by modifying the DNA using a DNA methyltransferase. Based on their molecular structure, sequence recognition, cleavage position and cofactor requirements, restriction-modification (R-M) systems are classified into four groups. Type III R-M enzymes need to interact with two separate unmethylated DNA sequences in inversely repeated head-to-head orientations for efficient cleavage to occur at a defined location (25-27 bp downstream of one of the recognition sites). Like the Type I R-M enzymes, Type III R-M enzymes possess a sequence-specific ATPase activity for DNA cleavage. ATP hydrolysis is required for the long-distance communication between the sites before cleavage. Different models, based on 1D diffusion and/or 3D-DNA looping, exist to explain how the long-distance interaction between the two recognition sites takes place. Type III R-M systems are found in most sequenced bacteria. Genome sequencing of many pathogenic bacteria also shows the presence of a number of phase-variable Type III R-M systems, which play a role in virulence. A growing number of these enzymes are being subjected to biochemical and genetic studies, which, when combined with ongoing structural analyses, promise to provide details for mechanisms of DNA recognition and catalysis.

  12. Using the Antenna Effect as a Spectroscopic Tool; Photophysics and Solution Thermodynamics of the Model Luminescent Hydroxypyridonate Complex [EuIII(3,4,3-LI(1,2-HOPO))]-

    Energy Technology Data Exchange (ETDEWEB)

    Abergel, Rebecca J.; D' Aleo, Anthony; Ng Pak Leung, Clara; Shuh, David; Raymond, Kenneth

    2009-11-20

    While widely used in bioassays, the spectrofluorimetric method described here uses the antenna effect as a tool to probe the thermodynamic parameters of ligands that sensitize lanthanide luminescence. The Eu3+ coordination chemistry, solution thermodynamic stability and photophysical properties of the spermine-based hydroxypyridonate octadentate chelator 3,4,3-LI(1,2-HOPO) are reported. The complex [EuIII(3,4,3-LI(1,2-HOPO))]- luminesces with a long lifetime (805 mu s) and a quantum yield of 7.0percent in aqueous solution, at pH 7.4. These remarkable optical properties were exploited to determine the high (and proton-independent) stability of the complex (log beta 110 = 20.2(2)) and to define the influence of the ligand scaffold on the stability and photophysical properties.

  13. Subcellular location of horseradish peroxidase in horseradish leaves treated with La(III), Ce(III) and Tb(III).

    Science.gov (United States)

    Ye, Yaxin; Wang, Lihong; Huang, Xiaohua; Lu, Tianhong; Ding, Xiaolan; Zhou, Qing; Guo, Shaofen

    2008-11-01

    The agricultural application of rare-earth elements (REEs) would promote REEs inevitably to enter in the environment and then to threaten the environmental safety and human health. Therefore, the distribution of the REEs ion, (141)Ce(III) and effects of La(III), Ce(III) and Tb(III) on the distribution of horseradish peroxidase (HRP) in horseradish mesophyll cells were investigated with electron microscopic radioautography and transmission electron microscopic cytochemistry. It was found for the first time that REEs ions can enter into the mesophyll cells, deposit in both extra and intra-cellular. Compared to the normal condition, after the horseradish leaves treated with La(III) or Tb(III), HRP located on the tonoplast is decreased and HRP is mainly located on the cell wall, while HRP is mainly located on the plasma membrane after the horseradish leaves were treated with Ce(III). This also indicated that REEs ions may regulate the plant growth through changing the distribution of enzymes.

  14. Computational Analysis of the SRS Phase III Salt Disposition Alternatives

    Energy Technology Data Exchange (ETDEWEB)

    Dimenna, R.A.

    1999-10-07

    Completion of the Phase III evaluation and comparison of salt disposition alternatives was supported with enhanced computer models and analysis for each case on the ''short list'' of four options. SPEEDUP(TM) models and special purpose models describing mass and energy balances and flow rates were developed and used to predict performance and production characteristics for each of the options. Results from the computational analysis were a key part of the input used to select a primary and an alternate salt disposition alternative.

  15. Nucleation and initial radius of self-catalyzed III-V nanowires

    Science.gov (United States)

    Dubrovskii, V. G.; Borie, S.; Dagnet, T.; Reynes, L.; André, Y.; Gil, E.

    2017-02-01

    We treat theoretically the initial nucleation step of self-catalyzed III-V nanowires under simultaneously deposited group III and V vapor fluxes and with surface diffusion of a group III element. Our model is capable of describing the droplet size at which the very first nanowire monolayer nucleates depending on the element fluxes and surface temperature. This size determines the initial nanowire radius in growth techniques without pre-deposition of gallium. We show that useful self-catalyzed III-V nanowires can form only under the appropriately balanced V/III flux ratios and temperatures. Such balance is required to obtain nucleation from reasonably sized droplets that are neither too small under excessive arsenic flux nor too large in the arsenic-poor conditions.

  16. Mechanisms of Eu(III) and Cm(III) Association With Chlorella Vulgaris

    Science.gov (United States)

    Ozaki, T.; Kimura, T.; Ohnuki, T.; Francis, A. J.

    2002-12-01

    Association of Eu(III) and Cm(III) with Chlorella vulgaris and cellulose was studied by a batch method, time-resolved laser-induced fluorescence spectroscopy (TRLFS) and extended X-ray absorption fine structure (EXAFS). The kinetics study performed by a batch method showed that the maximum adsorption of Eu(III) and Cm(III) on C. vulgaris was attained within three minutes of contact time, and afterwards the percentage adsorption decreased with time due to exudates released from C. vulgaris with affinity for Eu(III) and Cm(III). TRLFS showed that the short-term adsorption of Eu(III) on C. vulgaris was attributed to their coordination with the cell wall components comprised of cellulose. TRLFS also demonstrated that Eu(III) coordinated with the functional groups of cellulose very weakly in spite of the large distribution coefficients observed. EXAFS analysis showed the local structure around the Eu(III) adsorbed on cellulose and with C. vulgaris was similar. These results indicate that the reactions both at cell surfaces through the adsorption as well as in solution phases through chelation with the exudates are important in estimating the environmental behavior of Eu(III) and Cm(III) in aqueous environments.

  17. The development and validation of a CT-based radiomics signature for the preoperative discrimination of stage I-II and stage III-IV colorectal cancer

    Science.gov (United States)

    He, Lan; Chen, Xin; Ma, Zelan; Dong, Di; Tian, Jie; Liang, Changhong; Liu, Zaiyi

    2016-01-01

    Objectives To investigative the predictive ability of radiomics signature for preoperative staging (I-IIvs.III-IV) of primary colorectal cancer (CRC). Methods This study consisted of 494 consecutive patients (training dataset: n=286; validation cohort, n=208) with stage I–IV CRC. A radiomics signature was generated using LASSO logistic regression model. Association between radiomics signature and CRC staging was explored. The classification performance of the radiomics signature was explored with respect to the receiver operating characteristics(ROC) curve. Results The 16-feature-based radiomics signature was an independent predictor for staging of CRC, which could successfully categorize CRC into stage I-II and III-IV (p <0.0001) in training and validation dataset. The median of radiomics signature of stage III-IV was higher than stage I-II in the training and validation dataset. As for the classification performance of the radiomics signature in CRC staging, the AUC was 0.792(95%CI:0.741-0.853) with sensitivity of 0.629 and specificity of 0.874. The signature in the validation dataset obtained an AUC of 0.708(95%CI:0.698-0.718) with sensitivity of 0.611 and specificity of 0.680. Conclusions A radiomics signature was developed and validated to be a significant predictor for discrimination of stage I-II from III-IV CRC, which may serve as a complementary tool for the preoperative tumor staging in CRC. PMID:27120787

  18. Human immune responsiveness to Lolium perenne pollen allergen Lol p III (rye III) is associated with HLA-DR3 and DR5.

    Science.gov (United States)

    Ansari, A A; Freidhoff, L R; Meyers, D A; Bias, W B; Marsh, D G

    1989-05-01

    A well-characterized allergen of Lolium perenne (perennial rye grass) pollen, Lol p III, has been used as a model antigen to study the genetic control of the human immune response. Associations between HLA type and IgE or IgG antibody (Ab) responsiveness to Lol p III were studied in two groups of skin-test-positive Caucasoid adults (N = 135 and 67). We found by nonparametric and parametric analyses that immune responsiveness to Lol p III was significantly associated with HLA-DR3 and DR5. No association was found between any DQ type and immune responsiveness to Lol p III. Geometric mean IgE or IgG Ab levels to Lol p III were not different between B8+, DR3+ subjects and B8-, DR3+ subjects, showing that HLA-B8 had no influence on the association. Lol p III IgG Ab data obtained on subjects after grass antigen immunotherapy showed that 100% of DR3 subjects and 100% of DR5 subjects were Ab+. A comparison of all the available protein sequences of DRB gene products showed that the first hypervariable region of DR3 and DR5 (and DRw6), and no other region, contains the sequence Glu9-Tyr-Ser-Thr-Ser13. Our observations are consistent with the possibility that immune responsiveness to the allergen Lol p III is associated with this amino acid sequence in the first hypervariable region of the DR beta 1 polypeptide chain.

  19. A disulfide-bond cascade mechanism for arsenic(III) S-adenosylmethionine methyltransferase

    Science.gov (United States)

    Marapakala, Kavitha; Packianathan, Charles; Ajees, A. Abdul; Dheeman, Dharmendra S.; Sankaran, Banumathi; Kandavelu, Palani; Rosen, Barry P.

    2015-01-01

    Methylation of the toxic metalloid arsenic is widespread in nature. Members of every kingdom have arsenic(III) S-adenosylmethionine (SAM) methyltransferase enzymes, which are termed ArsM in microbes and AS3MT in animals, including humans. Trivalent arsenic(III) is methylated up to three times to form methylarsenite [MAs(III)], dimethylarsenite [DMAs(III)] and the volatile trimethylarsine [TMAs(III)]. In microbes, arsenic methylation is a detoxification process. In humans, MAs(III) and DMAs(III) are more toxic and carcinogenic than either inorganic arsenate or arsenite. Here, new crystal structures are reported of ArsM from the thermophilic eukaryotic alga Cyanidioschyzon sp. 5508 (CmArsM) with the bound aromatic arsenicals phenylarsenite [PhAs(III)] at 1.80 Å resolution and reduced roxarsone [Rox(III)] at 2.25 Å resolution. These organoarsenicals are bound to two of four conserved cysteine residues: Cys174 and Cys224. The electron density extends the structure to include a newly identified conserved cysteine residue, Cys44, which is disulfide-bonded to the fourth conserved cysteine residue, Cys72. A second disulfide bond between Cys72 and Cys174 had been observed previously in a structure with bound SAM. The loop containing Cys44 and Cys72 shifts by nearly 6.5 Å in the arsenic(III)-bound structures compared with the SAM-bound structure, which suggests that this movement leads to formation of the Cys72–Cys174 disulfide bond. A model is proposed for the catalytic mechanism of arsenic(III) SAM methyltransferases in which a disulfide-bond cascade maintains the products in the trivalent state. PMID:25760600

  20. Association of Eu(III) and Cm(III) with Bacillus subtilis and Halobacterium salinarum

    Energy Technology Data Exchange (ETDEWEB)

    Ozaki, Takuo; Kimura, Takaumi; Ohnuki, Toshihiko; Yoshida, Zenko [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Gillow, Jeffrey B.; Francis, Arokiasamy J. [Brookhaven National Laboratory, Upton, NY (United States)

    2002-11-01

    Adsorption behavior of Eu(III) and Cm(III) by Bacillus subtilis and Halobacterium salinarum was investigated. Both microorganisms showed almost identical pH dependence on the distribution ratio (K{sub d}) of the metals examined, i.e., K{sub d} of Eu(III) and Cm(III) increased with an increase of pH. The coordination state of Eu(III) adsorbed on the microorganisms was studied by time-resolved laser-induced fluorescence spectroscopy (TRLFS). The coordination states of Eu(III) adsorbed on the B. subtilis and H. salinarum was of different characteristics. H. salinarum exhibited more outer-spherical interaction with Eu(III) than B. subtilis. (author)

  1. Lanthanide(III and Yttrium(III Complexes of Benzimidazole-2-Acetic Acid: Synthesis, Characterisation and Effect of La(III Complex on Germination of Wheat

    Directory of Open Access Journals (Sweden)

    2006-01-01

    Full Text Available The synthesis and characterisation of lanthanide(III and yttrium(III nitrate complexes of benzimidazole-2-acetic acid (HBIA are reported. The complexes have been characterised by elemental analysis, molar conductance, magnetic studies, IR, 1 H NMR, UV-visible, EPR, and TG/DTA studies. They have the stoichiometry [ Ln 3 ( BIA 2 ( NO 3 7 ( H 2 O 4 ]⋅3 H 2 O where Ln=La(III, Pr(III, Nd(II, Sm(III, Eu(III, Gd(III, Tb(III, Dy(III, and Y(III. The effect of La(III complex on germination, coleoptile, and root length of two local varieties of wheat DWR-195 and GW-349 for different treatment periods has been investigated. The complex was found to exhibit enhanced activity, compared to HBIA or metal salt alone at lower treatment periods.

  2. Antisense oligonucleotide inhibition of apolipoprotein C-III reduces plasma triglycerides in rodents, nonhuman primates, and humans.

    Science.gov (United States)

    Graham, Mark J; Lee, Richard G; Bell, Thomas A; Fu, Wuxia; Mullick, Adam E; Alexander, Veronica J; Singleton, Walter; Viney, Nick; Geary, Richard; Su, John; Baker, Brenda F; Burkey, Jennifer; Crooke, Stanley T; Crooke, Rosanne M

    2013-05-24

    Elevated plasma triglyceride levels have been recognized as a risk factor for the development of coronary heart disease. Apolipoprotein C-III (apoC-III) represents both an independent risk factor and a key regulatory factor of plasma triglyceride concentrations. Furthermore, elevated apoC-III levels have been associated with metabolic syndrome and type 2 diabetes mellitus. To date, no selective apoC-III therapeutic agent has been evaluated in the clinic. To test the hypothesis that selective inhibition of apoC-III with antisense drugs in preclinical models and in healthy volunteers would reduce plasma apoC-III and triglyceride levels. Rodent- and human-specific second-generation antisense oligonucleotides were identified and evaluated in preclinical models, including rats, mice, human apoC-III transgenic mice, and nonhuman primates. We demonstrated the selective reduction of both apoC-III and triglyceride in all preclinical pharmacological evaluations. We also showed that inhibition of apoC-III was well tolerated and not associated with increased liver triglyceride deposition or hepatotoxicity. A double-blind, placebo-controlled, phase I clinical study was performed in healthy subjects. Administration of the human apoC-III antisense drug resulted in dose-dependent reductions in plasma apoC-III, concomitant lowering of triglyceride levels, and produced no clinically meaningful signals in the safety evaluations. Antisense inhibition of apoC-III in preclinical models and in a phase I clinical trial with healthy subjects produced potent, selective reductions in plasma apoC-III and triglyceride, 2 known risk factors for cardiovascular disease. This compelling pharmacological profile supports further clinical investigations in hypertriglyceridemic subjects.

  3. Rapid photooxidation of Sb(III) in the presence of different Fe(III) species

    Science.gov (United States)

    Kong, Linghao; He, Mengchang; Hu, Xingyun

    2016-05-01

    The toxicity and mobility of antimony (Sb) are strongly influenced by the redox processes associated with Sb. Dissolved iron (Fe) is widely distributed in the environment as different species and plays a significant role in Sb speciation. However, the mechanisms of Sb(III) oxidation in the presence of Fe have remained unclear because of the complexity of Fe and Sb speciation. In this study, the mechanisms of Sb(III) photooxidation in the presence of different Fe species were investigated systematically. The photooxidation of Sb(III) occurred over a wide pH range, from 1 to 10. Oxygen was not a predominant or crucial factor in the Sb(III) oxidation process. The mechanism of Sb(III) photooxidation varied depending on the Fe(III) species. In acidic solution (pH 1-3), dichloro radicals (radCl2-) and hydroxyl radicals (radOH) generated by the photocatalysis of FeCl2+ and FeOH2+ were the main oxidants for Sb(III) oxidation. Fe(III) gradually transformed into the colloid ferric hydroxide (CFH) and ferrihydrite in circumneutral and alkaline solutions (pH 4-10). Photooxidation of Sb(III) occurred through electron transfer from Sb(III) to Fe(III) along with the reduction of Fe(III) to Fe(II) through a ligand-to-metal charge-transfer (LMCT) process. The photocatalysis of different Fe(III) species may play an important role in the geochemical cycle of Sb(III) in surface soil and aquatic environments.

  4. The mass distribution of Population III stars

    Science.gov (United States)

    Fraser, M.; Casey, A. R.; Gilmore, G.; Heger, A.; Chan, C.

    2017-06-01

    Extremely metal-poor (EMP) stars are uniquely informative on the nature of massive Population III stars. Modulo a few elements that vary with stellar evolution, the present-day photospheric abundances observed in EMP stars are representative of their natal gas cloud composition. For this reason, the chemistry of EMP stars closely reflects the nucleosynthetic yields of supernovae from massive Population III stars. Here we collate detailed abundances of 53 EMP stars from the literature and infer the masses of their Population III progenitors. We fit a simple initial mass function (IMF) to a subset of 29 of the inferred Population III star masses, and find that the mass distribution is well represented by a power-law IMF with exponent α = 2.35^{+0.29}_{-0.24}. The inferred maximum progenitor mass for supernovae from massive Population III stars is M_{max} = 87^{+13}_{-33} M⊙, and we find no evidence in our sample for a contribution from stars with masses above ˜120 M⊙. The minimum mass is strongly consistent with the theoretical lower mass limit for Population III supernovae. We conclude that the IMF for massive Population III stars is consistent with the IMF of present-day massive stars and there may well have formed stars much below the supernova mass limit that could have survived to the present day.

  5. Timely management of developing class III malocclusion

    Directory of Open Access Journals (Sweden)

    M R Yelampalli

    2012-01-01

    Full Text Available Timing of orthodontic treatment, especially for children with developing class III malocclusions, has always been somewhat controversial, and definitive treatment tends to be delayed for severe class III cases. Developing class III patients with moderate to severe anterior crossbite and deep bite may need early intervention in some selected cases. Class III malocclusion may develop in children as a result of an inherent growth abnormality, i.e. true class III malocclusion, or as a result of premature occlusal contacts causing forward functional shift of the mandible, which is known as pseudo class III malocclusion. These cases, if not treated at the initial stage of development, interfere with normal growth of the jaw bases and may result in severe facial deformities. The treatment should be carried out as early as possible for permitting normal growth of the skeletal bases. This paper deals with the selection of an appropriate appliance from the various current options available for early intervention in developing class III malocclusion through two case reports.

  6. Timely management of developing class III malocclusion.

    Science.gov (United States)

    Yelampalli, M R; Rachala, M R

    2012-01-01

    Timing of orthodontic treatment, especially for children with developing class III malocclusions, has always been somewhat controversial, and definitive treatment tends to be delayed for severe class III cases. Developing class III patients with moderate to severe anterior crossbite and deep bite may need early intervention in some selected cases. Class III malocclusion may develop in children as a result of an inherent growth abnormality, i.e. true class III malocclusion, or as a result of premature occlusal contacts causing forward functional shift of the mandible, which is known as pseudo class III malocclusion. These cases, if not treated at the initial stage of development, interfere with normal growth of the jaw bases and may result in severe facial deformities. The treatment should be carried out as early as possible for permitting normal growth of the skeletal bases. This paper deals with the selection of an appropriate appliance from the various current options available for early intervention in developing class III malocclusion through two case reports.

  7. Adsorption of As(III) from Aqueous Solutions by Novel Fe-Mg Type Hydrotalcite.

    Science.gov (United States)

    Ogata, Fumihiko; Kawasaki, Naohito

    2015-01-01

    Morphological and chemical evaluation of Fe-Mg hydrotalcite (Fe-HT) was performed using scanning electron microscopy, X-ray diffraction analysis, and electron microanalysis for application as an adsorbent for water treatment. The adsorption of arsenic III (As(III)) on Fe-HT was evaluated via examination of the effect of the contact time and analysis of the adsorption isotherm. The amount of As(III) adsorbed increased slightly with increasing temperature. The results of the adsorption isotherm studies suggested that As(III) adsorption can be well described by both the Freundlich and Langmuir equations. The adsorption of As(III) on Fe-HT reached equilibrium within 24 h, and the adsorption kinetic data fit the pseudo-second-order kinetic model better than the pseudo-first-order model. The amount of As(III) present on the surface of Fe-HT increased after As(III) adsorption, and the crystalline structure of Fe-HT was maintained after adsorption of As(III). The (003) and (006) peaks in the X-ray diffraction patterns were attributed to basal reflections, and these peaks shifted from respective 2θ values of 10.86 and 21.94° to 11.12 and 22.52°, indicating exchange of As(III) with chloride ions in Fe-HT with consequent narrowing of the inter-layer spacing. Collectively, these results suggest that Fe-HT is prospectively useful for the adsorption of As(III) from aqueous solutions.

  8. Solvolysis of the Tumor-Inhibiting Ru(III)-Complex trans-Tetrachlorobis(Indazole)Ruthenate(III).

    Science.gov (United States)

    Pieper, T; Peti, W; Keppler, B K

    2000-01-01

    The ruthenium(III) complex Hlnd trans-[RuCl(4),(ind)(2)], with two trans-standing indazole (ind) ligands bound to ruthenium via nitrogen, shows remarkable activity in different tumor models in vitro and in vivo. The solvolysis of the complex trans-[RuCl(4),(ind)(2)](-) has been investigated by means of spectroscopic techniques (UV/vis, NMR)in different solvents. We investigated the indazolium as well as the sodium salt, the latter showing improved solubility in water. In aqueous acetonitrile and ethanol the solvolysis results in one main solvento complex. The hydrolysis of the complex is more complicated and depends on the pH of the solution as well as on the buffer system.

  9. Continuous propagation of microalgae. III.

    Science.gov (United States)

    Hanson, D. T.; Fredrickson, A. G.; Tsuchiya, H. M.

    1971-01-01

    Data are presented which give the specific photosynthetic rate and the specific utilization rates of urea and carbon dioxide as functions of specific growth rate for Chlorella. A mathematical model expresses a set of mass balance relations between biotic and environmental materials. Criteria of validity are used to test this model. Predictive procedures are complemented by a particular model of microbial growth. Methods are demonstrated for predicting substrate utilization rates, production rates of extracellular metabolites, growth limiting conditions, and photosynthetic quotients from propagator variables.

  10. The Luminosity of Population III Star Clusters

    CERN Document Server

    DeSouza, Alexander L

    2015-01-01

    We analyze the time evolution of the luminosity of a cluster of Population III protostars formed in the early universe. We argue from the Jeans criterion that primordial gas can collapse to form a cluster of first stars that evolve relatively independently of one another (i.e., with negligible gravitational interaction). We model the collapse of individual protostellar clumps using 2+1D nonaxisymmetric numerical hydrodynamics simulations. Each collapse produces a protostar surrounded by a massive disk (i.e., $M_{\\rm disk} / M_{*} \\gtrsim 0.1$), whose evolution we follow for a further 30--40 kyr. Gravitational instabilities result in the fragmentation and the formation of gravitationally bound clumps within the disk. The accretion of these fragments by the host protostar produces accretion and luminosity bursts on the order of $10^6\\,\\LSun$. Within the cluster, we show that a simultaneity of such events across several protostellar cluster members can elevate the cluster luminosity to 5--10${\\times}$ greater th...

  11. DSM-5 section III personality traits and section II personality disorders in a Flemish community sample.

    Science.gov (United States)

    Bastiaens, Tim; Smits, Dirk; De Hert, Marc; Vanwalleghem, Dominique; Claes, Laurence

    2016-04-30

    The Personality Inventory for DSM-5 (PID-5; Krueger et al., 2012) is a dimensional self-report questionnaire designed to measure personality pathology according to the criterion B of the DSM-5 Section III personality model. In the current issue of DSM, this dimensional Section III personality model co-exists with the Section II categorical personality model derived from DSM-IV-TR. Therefore, investigation of the inter-relatedness of both models across populations and languages is warranted. In this study, we first examined the factor structure and reliability of the PID-5 in a Flemish community sample (N=509) by means of exploratory structural equation modeling and alpha coefficients. Next, we investigated the predictive ability of section III personality traits in relation to section II personality disorders through correlations and stepwise regression analyses. Results revealed a five factor solution for the PID-5, with adequate reliability of the facet scales. The variance in Section II personality disorders could be predicted by their theoretically comprising Section III personality traits, but additional Section III personality traits augmented this prediction. Based on current results, we discuss the Section II personality disorder conceptualization and the Section III personality disorder operationalization.

  12. III-V semiconductor materials and devices

    CERN Document Server

    Malik, R J

    1989-01-01

    The main emphasis of this volume is on III-V semiconductor epitaxial and bulk crystal growth techniques. Chapters are also included on material characterization and ion implantation. In order to put these growth techniques into perspective a thorough review of the physics and technology of III-V devices is presented. This is the first book of its kind to discuss the theory of the various crystal growth techniques in relation to their advantages and limitations for use in III-V semiconductor devices.

  13. [Napoleon III's urogenital disease (1808-1873)].

    Science.gov (United States)

    Androutsos, G

    2000-02-01

    We tried through this paper to reconstitute the evolution of the urologic illness of Napoleon III, last emperor of France, the first symptoms of which appeared many years before the fatal war of 1870, which led to the dismembering of France. In this connection, we present Napoleon III's physicians and his cures, along with the diagnostic and therapeutic errors. The case of Napoleon III is a typical example of the influence the bad health of a sovereign can exercise on the destiny of his country.

  14. Analytical study, by modelling methods, of the alkali and alkaline earth cations influence on the stability and the reactivity of aluminium (III) oxides or halides complexes; Etude analytique, par des techniques de modelisation, de l`influence de cations alcalins ou alcalino-terreux sur la stabilite et la reactivite de complexes de l`aluminium(III) avec des ions halogenures ou oxydes

    Energy Technology Data Exchange (ETDEWEB)

    Bouyer, F.

    1995-10-05

    The electric power consumption in aluminium production and electrorefining processes is high. A study of the electrochemical processes can be very useful for a better understanding of phenomena in electrolytic baths and then for reducing the production costs. A structural and vibrational analysis of species which exist in ionic solutions has been carried out with software based on the functional density theory. Concerning the electrolyte used for the aluminium refining, the anions study has shown that the aluminium chloro-fluoride complexes are preferentially tetrahedral. Moreover, the aluminium oxyfluoride complexes structures (which come from the alumina dissolution in cryolitic media) have been analyzed in the same way and the preferential coordination numbers for aluminium and oxygen have been shown clearly. The anionic model (which is limited to the nearest aluminium neighbours) does not allow to account for the thermodynamics of the cryolitic media. A more elaborated model has then been found to obtain the cryolite structure. The reactions enthalpies have been estimated and have lead to the calculus of species concentration gradients in liquid phase. The counterions effects as for instance sodium and calcium have been investigated. A model for the gaseous phase allowing to know the preferential species has been given. At last, a statistic thermochemistry program has been conceived and developed. It gives the thermodynamical functions at all temperature for the different complexes and allows to reckon the reactions coefficients in gaseous phase as well as the partial pressures profiles with those of calcium and sodium fluorides. (O.M.) 204 refs.

  15. Solubility and transport of Cr(III) in a historically contaminated soil - Evidence of a rapidly reacting dimeric Cr(III) organic matter complex.

    Science.gov (United States)

    Löv, Åsa; Sjöstedt, Carin; Larsbo, Mats; Persson, Ingmar; Gustafsson, Jon Petter; Cornelis, Geert; Kleja, Dan B

    2017-09-20

    Chromium is a common soil contaminant and, although it has been studied widely, questions about its speciation and dissolutions kinetics remain unanswered. We combined information from an irrigation experiment performed with intact soil columns with data from batch experiments to evaluate solubility and mobilization mechanisms of Cr(III) in a historically contaminated soil (>65 years). Particulate and colloidal Cr(III) forms dominated transport in this soil, but their concentrations were independent of irrigation intensity (2-20 mm h(-1)). Extended X-ray absorption fine structure (EXAFS) measurements indicated that Cr(III) associated with colloids and particles, and with the solid phase, mainly existed as dimeric hydrolyzed Cr(III) bound to natural organic matter. Dissolution kinetics of this species were fast (≤1 day) at low pH (<3) and slightly slower (≤5 days) at neutral pH. Furthermore, it proved possible to describe the solubility of the dimeric Cr(III) organic matter complex with a geochemical equilibrium model using only generic binding parameters, opening the way for use of geochemical models in risk assessments of Cr(III)-contaminated sites. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  16. Extraction chromatographic separation of Am(III) and Eu(III) by TPEN-immobilized gel

    Energy Technology Data Exchange (ETDEWEB)

    Takeshita, K. [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro-ku, Tokyo 157-8550 (Japan); Ogata, T.; Oaki, H.; Inaba, Y. [Solutions Research Organization, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama, Kanagawa 226-8503 (Japan); Mori, A. [Department of Chemical Science and Engineering, Kobe University, 1-1 Rokkodai-cho, Nada-ku, Kobe 657-8501 (Japan); Yaita, T. [Tokai Research and Development Center, Japan Atomic Energy Agency, 2-4 Shirakata-shirane, Tokai-mura, Naka-gun, Ibaragi 319-1195 (Japan); Koyama, S.I. [Oarai Research and Development Center, Japan Atomic Energy Agency. 4002 Narita, Oarai-cho, Ibaraki 311-1393 (Japan)

    2013-07-01

    A TPEN derivative with 4 vinyl groups, N,N,N',N' -tetrakis-(4-propenyloxy-2-pyridylmethyl)ethylenediamine (TPPEN) was synthesized for the separation of trivalent minor actinides (Am(III)) and lanthanides (Eu(III)). A co-polymer gel with TPPEN and N-isopropylacrylamide (NIPA) showed a high separation factor of Am(III) over Eu(III) (SF[Am/Eu]), which was evaluated to be 26 at pH=5. Thin film of NIPA-TPPEN gel (average thickness: 2-40 nm) was immobilized on the pore surface in porous silica particles (particle diameter : 50 μm, average pore diameter : 50 and 300 nm) and a chromatographic column (diameter: 6 mm, height: 11 mm) packed with the gel-coated particles was prepared. A small amount of weakly acidic solution (pH=4) containing Am(III) and Eu(III) was supplied in the column and the elution tests of Am(III) and Eu(III) were carried out. Eu(III) was recovered separately by a weakly acidic eluent (pH=4) at 313 K and Am(III) by a highly acidic eluent (pH=2) at 298 K. These results suggest that the contentious separation of minor actinides and lanthanides is attainable by a new extraction chromatographic process with two columns adjusted to 298 K and 313 K. (authors)

  17. Sorption behavior of europium(III) and curium(III) on the cell surfaces of microorganisms

    Energy Technology Data Exchange (ETDEWEB)

    Ozaki, T.; Kimura, T.; Ohnuki, T.; Yoshida, Z. [Advanced Science Research Center, Japan Atomic Energy Research Inst., Ibaraki (Japan); Gillow, J.B.; Francis, A.J. [Environmental Sciences Dept., Brookhaven National Lab., Upton, NY (United States)

    2004-07-01

    We investigated the association of europium(III) and curium(III) with the microorganisms Chlorella vulgaris, Bacillus subtilis, Pseudomonas fluorescens, Halomonas sp., Halobacterium salinarum, and Halobacterium halobium. We determined the kinetics and distribution coefficients (K{sub d}) for Eu(III) and Cm(III) sorption at pH 3-5 by batch experiments, and evaluated the number of water molecules in the inner-sphere (N{sub H{sub 2}O}) and the degree of strength of ligand field (R{sub E/M}) for Eu(III) by time-resolved laser-induced fluorescence spectroscopy (TRLFS). Exudates from C. vulgaris, Halomonas sp., and H. halobium had an affinity for Eu(III) and Cm(III). The log K{sub d} of Eu(III) and Cm(III) showed that their sorption was not fully due to the exchange with three protons on the functional groups on cell surfaces. The halophilic microorganisms (Halomonas sp., Halobacterium salinarum, H. halobium) showed almost no pH dependence in log K{sub d}, indicating that an exchange with Na{sup +} on the functional groups was involved in their sorption. The {delta}N{sub H{sub 2}O} (= 9 - N{sub H{sub 2}O}) for Eu(III) on C. vulgaris was 1-3, while that for the other microorganisms was over 3, demonstrating that the coordination of Eu(III) with C. vulgaris was predominantly an outer-spherical process. The R{sub E/M} for Eu(III) on halophilic microorganisms was 2.5-5, while that for non-halophilic ones was 1-2.5. This finding suggests that the coordination environment of Eu(III) on the halophilic microorganisms is more complicated than that on the other three non-halophilic ones. (orig.)

  18. Extraction and separation of Nd(III), Sm(III), Dy(III), Fe(III), Ni(II), and Cs(I) from concentrated chloride solutions with N,N,N',N'-tetra(2-ethylhexyl) diglycolamide as new extractant

    Institute of Scientific and Technical Information of China (English)

    E.A. Mowafy; D. Mohamed

    2015-01-01

    The feasibility of using N,N,N',N'-tetra(2-ethylhexyl)diglycolamide (TEHDGA) in 75 vol.% n-dodecane-25 vol.% n-octanol as agents for the extraction and separation of Nd(III), Sm(III), Dy(III), Fe(III), Ni(II), and Cs(I) from concentrated chlo-ride solution was investigated. Different extraction behaviors were obtained towards rare earth elements (REE) studied and Fe(III), Ni(II) and Cs(I). Efficient separation of Nd(III), Sm(III) and Dy(III) from Fe(III), Ni(II), and Cs(I) was achieved by TEHDGA, depending on the HCl, HNO3 or H2SO4 concentration. A systematic investigation was carried out on the detailed extraction prop-erties of Nd(III), Sm(III), and Dy(III) with TEHDGA from chloride media. The IR spectra of the extracted species were investi-gated.

  19. Genetics Home Reference: mucolipidosis III alpha/beta

    Science.gov (United States)

    ... Health Conditions mucolipidosis III alpha/beta mucolipidosis III alpha/beta Enable Javascript to view the expand/collapse ... PDF Open All Close All Description Mucolipidosis III alpha/beta is a disorder that affects many parts ...

  20. Synthesis, thermal and spectroscopic behaviors of metal-drug complexes: La(III), Ce(III), Sm(III) and Y(III) amoxicillin trihydrate antibiotic drug complexes

    Science.gov (United States)

    Refat, Moamen S.; Al-Maydama, Hussein M. A.; Al-Azab, Fathi M.; Amin, Ragab R.; Jamil, Yasmin M. S.

    2014-07-01

    The metal complexes of Amoxicillin trihydrate with La(III), Ce(III), Sm(III) and Y(III) are synthesized with 1:1 (metal:Amox) molar ratio. The suggested formula structures of the complexes are based on the results of the elemental analyses, molar conductivity, (infrared, UV-visible and fluorescence) spectra, effective magnetic moment in Bohr magnetons, as well as the thermal analysis (TG), and characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM). The results obtained suggested that Amoxicillin reacted with metal ions as tridentate ligands, coordinating the metal ion through its amino, imino, and β-lactamic carbonyl. The kinetic thermodynamic parameters such as: Ea, ΔH*, ΔS* and ΔG* were estimated from the DTG curves.