Sample records for s3 gowdy models

  1. Cosmic Censorship for Gowdy Spacetimes.

    PubMed

    Ringström, Hans

    2010-01-01

    Due to the complexity of Einstein's equations, it is often natural to study a question of interest in the framework of a restricted class of solutions. One way to impose a restriction is to consider solutions satisfying a given symmetry condition. There are many possible choices, but the present article is concerned with one particular choice, which we shall refer to as Gowdy symmetry. We begin by explaining the origin and meaning of this symmetry type, which has been used as a simplifying assumption in various contexts, some of which we shall mention. Nevertheless, the subject of interest here is strong cosmic censorship. Consequently, after having described what the Gowdy class of spacetimes is, we describe, as seen from the perspective of a mathematician, what is meant by strong cosmic censorship. The existing results on cosmic censorship are based on a detailed analysis of the asymptotic behavior of solutions. This analysis is in part motivated by conjectures, such as the BKL conjecture, which we shall therefore briefly describe. However, the emphasis of the article is on the mathematical analysis of the asymptotics, due to its central importance in the proof and in the hope that it might be of relevance more generally. The article ends with a description of the results that have been obtained concerning strong cosmic censorship in the class of Gowdy spacetimes.

  2. Covariance in self-dual inhomogeneous models of effective quantum geometry: Spherical symmetry and Gowdy systems

    NASA Astrophysics Data System (ADS)

    Ben Achour, Jibril; Brahma, Suddhasattwa

    2018-06-01

    When applying the techniques of loop quantum gravity (LQG) to symmetry-reduced gravitational systems, one first regularizes the scalar constraint using holonomy corrections, prior to quantization. In inhomogeneous system, where a residual spatial diffeomorphism symmetry survives, such modification of the gauge generator generating time reparametrization can potentially lead to deformations or anomalies in the modified algebra of first-class constraints. When working with self-dual variables, it has already been shown that, for spherically symmetric geometry coupled to a scalar field, the holonomy-modified constraints do not generate any modifications to general covariance, as one faces in the real variables formulation, and can thus accommodate local degrees of freedom in such inhomogeneous models. In this paper, we extend this result to Gowdy cosmologies in the self-dual Ashtekar formulation. Furthermore, we show that the introduction of a μ ¯-scheme in midisuperspace models, as is required in the "improved dynamics" of LQG, is possible in the self-dual formalism while being out of reach in the current effective models using real-valued Ashtekar-Barbero variables. Our results indicate the advantages of using the self-dual variables to obtain a covariant loop regularization prior to quantization in inhomogeneous symmetry-reduced polymer models, additionally implementing the crucial μ ¯-scheme, and thus a consistent semiclassical limit.

  3. The Glimm scheme for perfect fluids on plane-symmetric Gowdy spacetimes

    NASA Astrophysics Data System (ADS)

    Barnes, A. P.; Lefloch, P. G.; Schmidt, B. G.; Stewart, J. M.

    2004-11-01

    We propose a new, augmented formulation of the coupled Euler Einstein equations for perfect fluids on plane-symmetric Gowdy spacetimes. The unknowns of the augmented system are the density and velocity of the fluid and the first- and second-order spacetime derivatives of the metric. We solve the Riemann problem for the augmented system, allowing propagating discontinuities in both the fluid variables and the first- and second-order derivatives of the geometry coefficients. Our main result, based on Glimm's random choice scheme, is the existence of solutions with bounded total variation of the Euler Einstein equations, up to the first time where a blow-up singularity (unbounded first-order derivatives of the geometry coefficients) occurs. We demonstrate the relevance of the augmented system for numerical relativity. We also consider general vacuum spacetimes and solve a Riemann problem, by relying on a theorem by Rendall on the characteristic value problem for the Einstein equations.

  4. Superspace models for S-3

    NASA Astrophysics Data System (ADS)

    McKeon, D. G. C.

    2003-11-01

    The simplest supersymmetric extension of the group SO(4) is discussed. The superalgebra is realized in a superspace whose Bosonic subspace is the surface of a sphere S-3 embedded in four-dimensional Euclidean space. By using Fermionic coordinates in this superspace, which are chiral symplectic Majorana spinors, it proves possible to devise superfield models involving a complex scalar, a pair of chiral symplectic Majorana spinors, and a complex auxiliary scalar. Kinetic terms involve operators that are isometry generators on S-3.

  5. Quantum graviton creation in a model universe

    NASA Technical Reports Server (NTRS)

    Berger, B. K.

    1974-01-01

    Consideration of the mechanism of production of gravitons in the empty, anisotropic, spatially inhomogeneous Gowdy three-torus cosmology. The Gowdy cosmology is an exact solution of the vacuum Einstein equations and is obtained as a generalization of the homogeneous empty Bianchi Type I (Kasner) cosmology by permitting the metric components to depend on one of the space variables in addition to time. The Hamiltonian methods of Arnowitt, Deser, and Misner are employed to identify the dynamical variables which are to be quantized. The WKB regime solution is identical to that found by Doroshkevich, Zel'dovich, and Novikov (DZN) for a universe containing collisionless anisotropic radiation. Using a procedure similar to that of Parker (1971) or Zel'dovich and Starobinskii (1971) for defining quantum number, it is found that the DZN large-time radiation consists of quanta (gravitons) created from an initial vacuum. The quantum behavior is much like the semiclassical enhancement of quantum number with the added feature of creation of quanta from vacuum fluctuations.

  6. S3 and S4 abundances and improved chemical kinetic model for the lower atmosphere of Venus

    NASA Astrophysics Data System (ADS)

    Krasnopolsky, Vladimir A.

    2013-07-01

    Mixing ratios of S3 and S4 are obtained from reanalysis of the spectra of true absorption in the visible range retrieved by Maiorov et al. (Maiorov, B.S. et al. [2005]. Solar Syst. Res. 39, 267-282) from the Venera 11 observations. These mixing ratios are fS3 = 11 ± 3 ppt at 3-10 km and 18 ± 3 ppt at 10-19 km, fS4 = 4 ± 4 ppt at 3-10 km and 6 ± 2 ppt at 10-19 km, and show a steep decrease in both S3 and S4 above 19 km. Photolysis rates of S3 and S4 at various altitudes are calculated using the Venera 11 spectra and constant photolysis yields as free parameters. The chemical kinetic model for the Venus lower atmosphere (Krasnopolsky, V.A. [2007]. Icarus 191, 25-37) has been improved by inclusion of the S4 cycle from Yung et al. (Yung, Y.L. et al. [2009]. J. Geophys. Res. 114, E00B34), reduction of the H2SO4 and CO fluxes at the upper boundary of 47 km by a factor of 4 in accord with the recent photochemical models for the middle atmosphere, by using a closed lower boundary for OCS instead of a free parameter for this species at the surface, and some minor updates. Our model with the S4 cycle but without the SO3 + 2 OCS reaction suggested by Krasnopolsky and Pollack (Krasnopolsky, V.A., Pollack, J.B. [1994]. Icarus 109, 58-78) disagrees with the observations of OCS, CO, S3, and S4. However, inclusion of the S4 cycle improves the model fit to all observational constraints. The best-fit activation energy of 7800 K for thermolysis of S4 supports the S4 enthalpy from Mills (Mills, K.C. [1974]. Thermodynamic Data for Inorganic Sulfides, Selenides and Tellurides. Butterworths, London). Chemistry of the Venus lower atmosphere is initiated by disequilibrium products H2SO4 and CO from the middle atmosphere, photolysis of S3 and S4, and thermochemistry in the lowest scale height. The chemistry is mostly driven by sulfur that is formed in a slow reaction SO + SO, produces OCS, and results in dramatic changes in abundances of OCS, CO, and free sulfur allotropes. The SX + OCS

  7. 75 FR 16361 - Airworthiness Directives; CFM International, S.A. Models CFM56-3 and -3B Turbofan Engines

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-01

    ..., S.A. Models CFM56-3 and -3B Turbofan Engines AGENCY: Federal Aviation Administration (FAA...), for certain CFM International, S.A. models CFM56-3 and -3B turbofan engines. That proposed AD would... inspection compliance threshold, to correct the engine model designations affected, and to clarify some of...

  8. Thoracoscopic anatomical subsegmentectomy of the right S2b + S3 using a 3D printing model with rapid prototyping.

    PubMed

    Nakada, Takeo; Akiba, Tadashi; Inagaki, Takuya; Morikawa, Toshiaki

    2014-10-01

    Thoracoscopic segmentectomies and subsegmentectomies are more difficult than lobectomy because of the complexity of the procedure; therefore, preoperative decision-making and surgical procedure planning are essential. In the literature, we could successfully perform thoracoscopic anatomical subsegmentectomy of the right S2b + S3 using a 3D printing model with rapid prototyping. This innovative surgical support model is extremely useful for planning a surgical procedure and identifying the surgical margin. © The Author 2014. Published by Oxford University Press on behalf of the European Association for Cardio-Thoracic Surgery. All rights reserved.

  9. The Sim-SEQ Project: Comparison of Selected Flow Models for the S-3 Site

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mukhopadhyay, Sumit; Doughty, Christine A.; Bacon, Diana H.

    Sim-SEQ is an international initiative on model comparison for geologic carbon sequestration, with an objective to understand and, if possible, quantify model uncertainties. Model comparison efforts in Sim-SEQ are at present focusing on one specific field test site, hereafter referred to as the Sim-SEQ Study site (or S-3 site). Within Sim-SEQ, different modeling teams are developing conceptual models of CO2 injection at the S-3 site. In this paper, we select five flow models of the S-3 site and provide a qualitative comparison of their attributes and predictions. These models are based on five different simulators or modeling approaches: TOUGH2/EOS7C, STOMP-CO2e,more » MoReS, TOUGH2-MP/ECO2N, and VESA. In addition to model-to-model comparison, we perform a limited model-to-data comparison, and illustrate how model choices impact model predictions. We conclude the paper by making recommendations for model refinement that are likely to result in less uncertainty in model predictions.« less

  10. Neutrino mass model with S3 symmetry and seesaw interplay

    NASA Astrophysics Data System (ADS)

    Pramanick, Soumita; Raychaudhuri, Amitava

    2016-12-01

    We develop a seesaw model for neutrino masses and mixing with an S3×Z3 symmetry. It involves an interplay of type-I and type-II seesaw contributions of which the former is subdominant. The S3×Z3 quantum numbers of the fermion and scalar fields are chosen such that the type-II seesaw generates a mass matrix which incorporates the atmospheric mass splitting and sets θ23=π /4 . The solar splitting and θ13 are absent, while the third mixing angle can achieve any value, θ120. Specific choices of θ120 are of interest, e.g., 35.3° (tribimaximal), 45.0° (bimaximal), 31.7° (golden ratio), and 0° (no solar mixing). The role of the type-I seesaw is to nudge all the above into the range indicated by the data. The model results in novel interrelationships between these quantities due to their common origin, making it readily falsifiable. For example, normal (inverted) ordering is associated with θ23 in the first (second) octant. C P violation is controlled by phases in the right-handed neutrino Majorana mass matrix, Mν R . In their absence, only normal ordering is admissible. When Mν R is complex, the Dirac C P phase, δ , can be large, i.e., ˜±π /2 , and inverted ordering is also allowed. The preliminary results from T2K and NOVA which favor normal ordering and δ ˜-π /2 are indicative, in this model, of a lightest neutrino mass of 0.05 eV or more.

  11. An effective 2-band eg model of sulfur hydride H3S for high-Tc superconductivity

    NASA Astrophysics Data System (ADS)

    Nishiguchi, Kazutaka; Teranishi, Shingo; Miyao, Satoaki; Matsushita, Goh; Kusakabe, Koichi

    To understand high transition temperature (Tc) superconductivity in sulfur hydride H3S, we propose an effective 2-band model having the eg symmetry as the minimal model for H3S. Two eg orbitals centered on a sulfur S atom are chosen for the smallest representation of relevant bands with the van-Hove singularity around the Fermi levels except for the Γ-centered small hole pockets by the sulfur 3 p orbitals. By using the maximally localized Wannier functions, we derive the minimal effective model preserving the body-centered cubic (bcc) crystal symmetry of the H3S phase having the highest Tc ( 203 K under pressures) among the other polymorphs of H3S.

  12. 3D Computer Models of T- x- y Diagrams, Forming the Fe-Ni-Co-FeS-NiS-CoS Subsystem

    NASA Astrophysics Data System (ADS)

    Lutsyk, V. I.; Vorob'eva, V. P.

    2017-12-01

    3D computer models of Fe-Ni-Co, Fe-Ni-FeS-NiS, Fe-Co-FeS-CoS, Ni-Co-NiS-CoS T- x- y diagrams have been designed. The geometric structure (35 surfaces, two-phase surface of the reaction type change, 17 phase regions) of the Fe-Ni-FeS-NiS T- x- y diagram is investigated in detail. The liquidus hypersurfaces prediction of the Fe-Ni-Co-FeS-NiS-CoS subsystem is represented.

  13. Model structure of the stream salmonid simulator (S3)—A dynamic model for simulating growth, movement, and survival of juvenile salmonids

    USGS Publications Warehouse

    Perry, Russell W.; Plumb, John M.; Jones, Edward C.; Som, Nicholas A.; Hetrick, Nicholas J.; Hardy, Thomas B.

    2018-04-06

    Fisheries and water managers often use population models to aid in understanding the effect of alternative water management or restoration actions on anadromous fish populations. We developed the Stream Salmonid Simulator (S3) to help resource managers evaluate the effect of management alternatives on juvenile salmonid populations. S3 is a deterministic stage-structured population model that tracks daily growth, movement, and survival of juvenile salmon. A key theme of the model is that river flow affects habitat availability and capacity, which in turn drives density dependent population dynamics. To explicitly link population dynamics to habitat quality and quantity, the river environment is constructed as a one-dimensional series of linked habitat units, each of which has an associated daily time series of discharge, water temperature, and usable habitat area or carrying capacity. The physical characteristics of each habitat unit and the number of fish occupying each unit, in turn, drive survival and growth within each habitat unit and movement of fish among habitat units.The purpose of this report is to outline the underlying general structure of the S3 model that is common among different applications of the model. We have developed applications of the S3 model for juvenile fall Chinook salmon (Oncorhynchus tshawytscha) in the lower Klamath River. Thus, this report is a companion to current application of the S3 model to the Trinity River (in review). The general S3 model structure provides a biological and physical framework for the salmonid freshwater life cycle. This framework captures important demographics of juvenile salmonids aimed at translating management alternatives into simulated population responses. Although the S3 model is built on this common framework, the model has been constructed to allow much flexibility in application of the model to specific river systems. The ability for practitioners to include system-specific information for the

  14. An empirical model of L-band scintillation S4 index constructed by using FORMOSAT-3/COSMIC data

    NASA Astrophysics Data System (ADS)

    Chen, Shih-Ping; Bilitza, Dieter; Liu, Jann-Yenq; Caton, Ronald; Chang, Loren C.; Yeh, Wen-Hao

    2017-09-01

    Modern society relies heavily on the Global Navigation Satellite System (GNSS) technology for applications such as satellite communication, navigation, and positioning on the ground and/or aviation in the troposphere/stratosphere. However, ionospheric scintillations can severely impact GNSS systems and their related applications. In this study, a global empirical ionospheric scintillation model is constructed with S4-index data obtained by the FORMOSAT-3/COSMIC (F3/C) satellites during 2007-2014 (hereafter referred to as the F3CGS4 model). This model describes the S4-index as a function of local time, day of year, dip-latitude, and solar activity using the index PF10.7. The model reproduces the F3/C S4-index observations well, and yields good agreement with ground-based reception of satellite signals. This confirms that the constructed model can be used to forecast global L-band scintillations on the ground and in the near surface atmosphere.

  15. U.S. EPA MODELS-3/CMAQ - STATUS AND APPLICATIONS

    EPA Science Inventory

    An advanced third-generation air quality modeling system has been developed by the Atmospheric Modeling Division of the U.S. EPA. The air quality simulation model at the heart of the system is known as the Community Multiscale Air Quality (CMAQ) Model. It is comprehensive in ...

  16. A 3D human neural cell culture system for modeling Alzheimer’s disease

    PubMed Central

    Kim, Young Hye; Choi, Se Hoon; D’Avanzo, Carla; Hebisch, Matthias; Sliwinski, Christopher; Bylykbashi, Enjana; Washicosky, Kevin J.; Klee, Justin B.; Brüstle, Oliver; Tanzi, Rudolph E.; Kim, Doo Yeon

    2015-01-01

    Stem cell technologies have facilitated the development of human cellular disease models that can be used to study pathogenesis and test therapeutic candidates. These models hold promise for complex neurological diseases such as Alzheimer’s disease (AD) because existing animal models have been unable to fully recapitulate all aspects of pathology. We recently reported the characterization of a novel three-dimensional (3D) culture system that exhibits key events in AD pathogenesis, including extracellular aggregation of β-amyloid and accumulation of hyperphosphorylated tau. Here we provide instructions for the generation and analysis of 3D human neural cell cultures, including the production of genetically modified human neural progenitor cells (hNPCs) with familial AD mutations, the differentiation of the hNPCs in a 3D matrix, and the analysis of AD pathogenesis. The 3D culture generation takes 1–2 days. The aggregation of β-amyloid is observed after 6-weeks of differentiation followed by robust tau pathology after 10–14 weeks. PMID:26068894

  17. Toward reliable modeling of S-nitrosothiol chemistry: Structure and properties of methyl thionitrite (CH3SNO), an S-nitrosocysteine model

    NASA Astrophysics Data System (ADS)

    Khomyakov, Dmitry G.; Timerghazin, Qadir K.

    2017-07-01

    Methyl thionitrite CH3SNO is an important model of S-nitrosated cysteine aminoacid residue (CysNO), a ubiquitous biological S-nitrosothiol (RSNO) involved in numerous physiological processes. As such, CH3SNO can provide insights into the intrinsic properties of the —SNO group in CysNO, in particular, its weak and labile S—N bond. Here, we report an ab initio computational investigation of the structure and properties of CH3SNO using a composite Feller-Peterson-Dixon scheme based on the explicitly correlated coupled cluster with single, double, and perturbative triple excitations calculations extrapolated to the complete basis set limit, CCSD(T)-F12/CBS, with a number of additive corrections for the effects of quadruple excitations, core-valence correlation, scalar-relativistic and spin-orbit effects, as well as harmonic zero-point vibrational energy with an anharmonicity correction. These calculations suggest that the S—N bond in CH3SNO is significantly elongated (1.814 Å) and has low stretching frequency and dissociation energy values, νS—N = 387 cm-1 and D0 = 32.4 kcal/mol. At the same time, the S—N bond has a sizable rotation barrier, △E0≠ = 12.7 kcal/mol, so CH3SNO exists as a cis- or trans-conformer, the latter slightly higher in energy, △E0 = 1.2 kcal/mol. The S—N bond properties are consistent with the antagonistic nature of CH3SNO, whose resonance representation requires two chemically opposite (antagonistic) resonance structures, CH3S+=N—O- and CH3S-/NO+, which can be probed using external electric fields and quantified using the natural resonance theory approach (NRT). The calculated S—N bond properties slowly converge with the level of correlation treatment, with the recently developed distinguished cluster with single and double excitations approximation (DCSD-F12) performing significantly better than the coupled cluster with single and double excitations (CCSD-F12), although still inferior to the CCSD(T)-F12 method that

  18. Development of wound healing models to study TGFβ3's effect on SMA.

    PubMed

    Sriram, Sriniwas; Tran, Jennifer A; Guo, Xiaoqing; Hutcheon, Audrey E K; Kazlauskas, Andrius; Zieske, James D

    2017-08-01

    The goal of this study was to test the efficacy of transforming growth factor beta 3 (TGFβ3) in reducing α-smooth muscle actin (SMA) expression in two models-an ex vivo organ culture and an in vitro 3D cell construct-both of which closely mimic an in vivo environment. For the ex vivo organ culture system, a central 6.0 mm corneal keratectomy was performed on freshly excised rabbit globes The corneas were then excised, segregated into groups treated with 1.0 ng/ml TGFβ1 or β3 (T1 or T3, respectively), and cultured for 2 weeks. The corneas were assessed for levels of haze and analyzed for SMA mRNA levels. For the 3D in vitro model, rabbit corneal fibroblasts (RbCFs) were cultured for 4 weeks on poly-transwell membranes in Eagle's minimum essential media (EMEM) + 10% FBS + 0.5 mM vitamin C ± 0.1 ng/ml T1 or T3. At the end of 4 weeks, the constructs were processed for analysis by indirect-immunofluorescence (IF) and RT-qPCR. The RT-qPCR data showed that SMA mRNA expression in T3 samples for both models was significantly lower (p < 0.05) than T1 treatment (around 3-fold in ex vivo and 2-fold in constructs). T3 also reduced the amount of scarring in ex vivo corneas as compared with the T1 samples. IF data from RbCF constructs confirmed that T3-treated samples had up to 4-fold (p < 0.05) lower levels of SMA protein expression than samples treated with T1. These results show that T3 when compared to T1 decreases the expression of SMA in both ex vivo organ culture and in vitro 3D cell construct models. Understanding the mechanism of T3's action in these systems and how they differ from simple cell culture models, may potentially help in developing T3 as an anti-scarring therapy. Copyright © 2017. Published by Elsevier Ltd.

  19. Efficient (3S)-Acetoin and (2S,3S)-2,3-Butanediol Production from meso-2,3-Butanediol Using Whole-Cell Biocatalysis.

    PubMed

    He, Yuanzhi; Chen, Feixue; Sun, Meijing; Gao, Huifang; Guo, Zewang; Lin, Hui; Chen, Jiebo; Jin, Wensong; Yang, Yunlong; Zhang, Liaoyuan; Yuan, Jun

    2018-03-19

    (3 S )-Acetoin and (2 S ,3 S )-2,3-butanediol are important platform chemicals widely applied in the asymmetric synthesis of valuable chiral chemicals. However, their production by fermentative methods is difficult to perform. This study aimed to develop a whole-cell biocatalysis strategy for the production of (3 S )-acetoin and (2 S ,3 S )-2,3-butanediol from meso -2,3-butanediol. First, E. coli co-expressing (2 R ,3 R )-2,3-butanediol dehydrogenase, NADH oxidase and Vitreoscilla hemoglobin was developed for (3 S )-acetoin production from meso -2,3-butanediol. Maximum (3 S )-acetoin concentration of 72.38 g/L with the stereoisomeric purity of 94.65% was achieved at 24 h under optimal conditions. Subsequently, we developed another biocatalyst co-expressing (2 S ,3 S )-2,3-butanediol dehydrogenase and formate dehydrogenase for (2 S ,3 S )-2,3-butanediol production from (3 S )-acetoin. Synchronous catalysis together with two biocatalysts afforded 38.41 g/L of (2 S ,3 S )-butanediol with stereoisomeric purity of 98.03% from 40 g/L meso -2,3-butanediol. These results exhibited the potential for (3 S )-acetoin and (2 S ,3 S )-butanediol production from meso -2,3-butanediol as a substrate via whole-cell biocatalysis.

  20. The ν 3 and 2ν 3 bands of 32S 16O 3, 32S 18O 3, 34S 16O 3, and 34S 18O 3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sharpe, Steven W.; Blake, Thomas A.; Sams, Robert L.

    2003-12-01

    The fifth of a series of publications on the high resolution rotation-vibration spectra of sulfur trioxide reports the results of a systematic study of the v3(é) and 2v3(A1'+E') infrared bands of the four symmetric top isotopomers 32S 16O 3, 34S 16O 3, 32S 18O 3, and 34S 18O 3. An internal coupling between the l = 0 and l = +2 levels of the 2v3 (A1'+E') states was observed. This small perturbation results in a level crossing between K-l = 9 and 12, in consequence of which the band origins of the A1', l=0 “ghost” states could be determined tomore » a high degree of accuracy. Ground and upper state rotational as well as vibrational anharmonicity constants are reported. The constants for the center-of-mass substituted species 32S 16O 3 and 34S 16O 3 vary only slightly, as do the constants for the 32S 18O 3, 34S 18O 3 pair. The S-O bond lengths for the vibrational ground states of the species 32S 16O 3, 34S 16O 3, 32S 18O 3 and 34S 18O 3, are, respectively, 141.981992(6), 141.979412(20), 150.605240(73), and 150.602348(73) pm, where the uncertainties, given in parentheses, are two standard deviations and refer to the last digits of the associated quantity.« less

  1. Effects of S 38093, an antagonist/inverse agonist of histamine H3 receptors, in models of neuropathic pain in rats.

    PubMed

    Chaumette, T; Chapuy, E; Berrocoso, E; Llorca-Torralba, M; Bravo, L; Mico, J A; Chalus, M; Eschalier, A; Ardid, D; Marchand, F; Sors, A

    2018-01-01

    Histamine H3 receptors are mainly expressed on CNS neurons, particularly along the nociceptive pathways. The potential involvement of these receptors in pain processing has been suggested using H3 receptor inverse agonists. The antinociceptive effect of S 38093, a novel inverse agonist of H3 receptors, has been evaluated in several neuropathic pain models in rat and compared with those of gabapentin and pregabalin. While S 38093 did not change vocalization thresholds to paw pressure in healthy rats, it exhibited a significant antihyperalgesic effect in the Streptozocin-induced diabetic (STZ) neuropathy model after acute and chronic administration and, in the chronic constriction injury (CCI) model only after chronic administration, submitted to the paw-pressure test. Acute S 38093 administration at all doses tested displayed a significant cold antiallodynic effect in a model of acute or repeated administration of oxaliplatin-induced neuropathy submitted to cold tail immersion, cold allodynia being the main side effect of oxaliplatin in patients. The effect of S 38093 increased following chronic administration (i.e. twice a day during 5 days) in the CCI and STZ models except in the oxaliplatin models where its effect was already maximal from the first administration The kinetics and size of effect of S 38093 were similar to gabapentin and/or pregabalin. Finally, the antinociceptive effect of S 38093 could be partially mediated by α2 adrenoreceptors desensitization in the locus coeruleus. These results highlight the interest of S 38093 to relieve neuropathic pain and warrant clinical trials especially in chemotherapeutic agent-induced neuropathic pain. S 38093, a new H3 antagonist/inverse agonist, displays antiallodynic and antihyperalgesic effect in neuropathic pain, especially in oxaliplatin-induced neuropathy after chronic administration. This effect of S 38093 in neuropathic pain could be partly mediated by α2 receptors desensitization in the locus coeruleus

  2. ACIRF User’s Guide for the General Model (Version 3.5)

    DTIC Science & Technology

    1992-06-01

    61 3c Example ACIRF formatted output for the frozen-in model (summary of measured realization statistics for antenr.. 2...must be delta correlated in angle, delay, and Doppler frequency: < z(KL,O)o) *(Kijj",o) = S(K±,T, O)D) 5(KL-K’) 8(T-r’) 8(0D-Oab) .( 61 ) The first-order... 61 , and the central limit theorem could be invoked to argue that h(p,r,t) and hA(p,rt) are zero- mean, normally-distributed complex quantities. Indeed

  3. Research Area 3: Mathematics (3.1 Modeling of Complex Systems)

    DTIC Science & Technology

    2017-10-31

    RESEARCH AREA 3: MATHEMATICS (3.1 Modeling of Complex Systems). Proposal should be directed to Dr. John Lavery The views, opinions and/or findings...so designated by other documentation. 9. SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS (ES) U.S. Army Research Office P.O. Box 12211 Research ...Title: RESEARCH AREA 3: MATHEMATICS (3.1 Modeling of Complex Systems). Proposal should be directed to Dr. John Lavery Report Term: 0-Other Email

  4. He 3 ( α , γ ) Be 7 and H 3 ( α , γ ) Li 7 astrophysical S factors from the no-core shell model with continuum

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dohet-Eraly, Jeremy; Navratil, Petr; Quaglioni, Sofia

    The 3He(α,γ) 7Be and 3H(α,γ) 7Li astrophysical S factors are calculated within the no-core shell model with continuum using a renormalized chiral nucleon–nucleon interaction. The 3He(α,γ) 7Be astrophysical S factors agree reasonably well with the experimental data while the 3H(α,γ) 7Li ones are overestimated. The seven-nucleon bound and resonance states and the α + 3He/ 3H elastic scattering are also studied and compared with experiment. Here, the low-lying resonance properties are rather well reproduced by our approach. At low energies, the s-wave phase shift, which is non-resonant, is overestimated.

  5. Compilation, design tests: Energetic particles Satellite S-3 including design tests for S-3A, S-3B and S-3C

    NASA Technical Reports Server (NTRS)

    Ledoux, F. N.

    1973-01-01

    A compilation of engineering design tests which were conducted in support of the Energetic Particle Satellite S-3, S-3A, and S-3b programs. The purpose for conducting the tests was to determine the adequacy and reliability of the Energetic Particles Series of satellites designs. The various tests consisted of: (1) moments of inertia, (2) functional reliability, (3) component and structural integrity, (4) initiators and explosives tests, and (5) acceptance tests.

  6. Strings on AdS_3 x S^3 and the Plane-Wave Limit. Issues on PP-Wave/CFT Holography

    NASA Astrophysics Data System (ADS)

    Zapata, Oswaldo

    2005-10-01

    In this thesis we give explicit results for bosonic string amplitudes on AdS_3 x S^3 and the corresponding plane-wave limit. We also analyze the consequences of our approach for understanding holography in this set up, as well as its possible generalization to other models.

  7. FAST TRACK COMMUNICATION: Generalized geometrical model for photoionization of polarized atoms: II. Magnetic dichroism in the 3p photoemission from the K 3p64s 2S1/2 ground state

    NASA Astrophysics Data System (ADS)

    Grum-Grzhimailo, A. N.; Cubaynes, D.; Heinecke, E.; Hoffmann, P.; Zimmermann, P.; Meyer, M.

    2010-10-01

    The generalized geometrical model for photoionization from polarized atoms is extended to include mixing of configurations in the initial atomic and/or the final photoion states. The theoretical results for angle-resolved linear and circular magnetic dichroism are in good agreement with new high-resolution photoelectron data for 3p-1 photoionization of potassium atoms polarized in the K 3p64s 2S1/2 ground state by laser optical pumping.

  8. H2 S3(1) and S4(1) transitions in the atmospheres of Neptune and Uranus - Observations and analysis

    NASA Technical Reports Server (NTRS)

    Smith, Wm. Hayden; Baines, Kevin H.

    1990-01-01

    The present observational results for Neptune's S3(1) and S4(1) H2 lines show the former line's measured equivalent width to be the same as for this feature in Uranus, repeating the equality already established between the two planets for the latter feature. It is also noted that the observed ratio of the H2 S3(0)/S3(1) lines for Neptune's atmosphere is reproduced by models belonging to the family of models created by Baines and Smith (1990); by comparison with the earlier Uranus models of Baines and Bergstrahl (1986), the greater continuum absorption of Neptune is responsible for the increased S3(0)/S3(1) line ratio near 0.82 microns.

  9. Transition probabilities for the 3s2 3p(2P0)-3s3p2(4P) intersystem lines of Si II

    NASA Technical Reports Server (NTRS)

    Calamai, Anthony G.; Smith, Peter L.; Bergeson, S. D.

    1993-01-01

    Intensity ratios of lines of the spin-changing 'intersystem' multiplet of S II (4P yields 2P0) at 234 nm have been used to determine electron densities and temperatures in a variety of astrophysical environments. However, the accuracy of these diagnostic calculations have been limited by uncertainties associated with the available atomic data. We report the first laboratory measurement, using an ion-trapping technique, of the radiative lifetimes of the three metastable levels of the 3s3p2 4P term of Si II. Our results are 104 +/- 16, 406 +/- 33, and 811 +/- 77 micro-s for lifetimes of the J = 1/2, 5/2, and 3/2 levels, respectively. A-values were derived from our lifetimes by use of measured branching fractions. Our A-values, which differ from calculated values by 30 percent or more, should give better agreement between modeled and observed Si II line ratios.

  10. A novel (S)-(+)-decursin derivative, (S)-(+)-3-(3,4-dihydroxy-phenyl)-acrylic acid 2,2-dimethyl-8-oxo-3,4-dihydro-2H,8H-pyrano[3,2-g]chromen-3-yl-ester, inhibits ovalbumin-induced lung inflammation in a mouse model of asthma.

    PubMed

    Yang, Eun Ju; Song, Gyu-Yong; Lee, Ji-Sook; Yun, Chi-Young; Kim, In Sik

    2009-03-01

    (S)-(+)-Decursin is a coumarin compound present in herbal extracts that has various biological activities. (S)-(+)-Decursin attenuates pathophysiologic progression in cancer, bacterial infection and neuropathy. Asthma is an inflammatory disease associated with increased infiltration of leukocytes, especially eosinophils, and secretion of mucus into the airways. Although (S)-(+)-decursin, as well as (S)-(+)-decursin analogues, have various pharmacological properties, the effect of these compounds on asthma is not known. In the present study, we synthesized (S)-(+)-3-(3,4-dihydroxy-phenyl)-acrylic acid 2,2-dimethyl-8-oxo-3,4-dihydro-2H,8H-pyrano[3,2-g]chromen-3-yl-ester (compound 6, C6) from (S)-(+)-decursin and examined if C6 had any inhibitory effects on lung inflammation in a mouse model of ovalbumin-induced asthma. C6 significantly inhibited the leukocytosis (p < 0.01) and eosinophilia (p < 0.05) in bronchoalveolar lavage (BAL) fluid. Examination of lung tissues stained with hematoxylin and eosin and periodic acid Schiff reagents showed that C6 suppressed the increased infiltration of inflammatory cells and elevated mucus hypersecretion. Protein levels of interleukin (IL)-5 (p < 0.05) and eotaxin (p < 0.01) were significantly reduced in BAL fluid by C6. C6 also significantly reduced total and ovalbumin-specific immunoglobulin E (IgE) levels in BAL fluid (p < 0.01) as well as that in serum (p < 0.05). C6 may have pharmacological effects for asthma and may be a potent therapeutic agent for the treatment of allergic airway diseases.

  11. Exactly solvable quantum cosmologies from two killing field reductions of general relativity

    NASA Astrophysics Data System (ADS)

    Husain, Viqar; Smolin, Lee

    1989-11-01

    An exact and, possibly, general solution to the quantum constraints is given for the sector of general relativity containing cosmological solutions with two space-like, commuting, Killing fields. The dynamics of these model space-times, which are known as Gowdy space-times, is formulated in terms of Ashtekar's new variables. The quantization is done by using the recently introduced self-dual and loop representations. On the classical phase space we find four explicit physical observables, or constants of motion, which generate a GL(2) symmetry group on the space of solutions. In the loop representations we find that a complete description of the physical state space, consisting of the simultaneous solutions to all of the constraints, is given in terms of the equivalence classes, under Diff(S1), of a pair of densities on the circle. These play the same role that the link classes play in the loop representation solution to the full 3+1 theory. An infinite dimensional algebra of physical observables is found on the physical state space, which is a GL(2) loop algebra. In addition, by freezing the local degrees of freedom of the model, we find a finite dimensional quantum system which describes a set of degenerate quantum cosmologies on T3 in which the length of one of the S1's has gone to zero, while the area of the remaining SS1 is quantized in units of the Planck area. The quantum kinematics of this sector of the model is identical to that of a one-plaquette SU(2) lattice gauge theory.

  12. Integrating O/S models during conceptual design, part 3

    NASA Technical Reports Server (NTRS)

    Ebeling, Charles E.

    1994-01-01

    Space vehicles, such as the Space Shuttle, require intensive ground support prior to, during, and after each mission. Maintenance is a significant part of that ground support. All space vehicles require scheduled maintenance to ensure operability and performance. In addition, components of any vehicle are not one-hundred percent reliable so they exhibit random failures. Once detected, a failure initiates unscheduled maintenance on the vehicle. Maintenance decreases the number of missions which can be completed by keeping vehicles out of service so that the time between the completion of one mission and the start of the next is increased. Maintenance also requires resources such as people, facilities, tooling, and spare parts. Assessing the mission capability and resource requirements of any new space vehicle, in addition to performance specification, is necessary to predict the life cycle cost and success of the vehicle. Maintenance and logistics support has been modeled by computer simulation to estimate mission capability and resource requirements for evaluation of proposed space vehicles. The simulation was written with Simulation Language for Alternative Modeling II (SLAM II) for execution on a personal computer. For either one or a fleet of space vehicles, the model simulates the preflight maintenance checks, the mission and return to earth, and the post flight maintenance in preparation to be sent back into space. THe model enables prediction of the number of missions possible and vehicle turn-time (the time between completion of one mission and the start of the next) given estimated values for component reliability and maintainability. The model also facilitates study of the manpower and vehicle requirements for the proposed vehicle to meet its desired mission rate. This is the 3rd part of a 3 part technical report.

  13. Fricke S-duality in CHL models

    DOE PAGES

    Persson, Daniel; Volpato, Roberto

    2015-12-23

    In this study, we consider four dimensional CHL models with sixteen spacetime supersymmetries obtained from orbifolds of type IIA superstring on K3×T 2 by a Z N symmetry acting (possibly) non-geometrically on K3. We show that most of these models (in particular, for geometric symmetries) are self-dual under a weak-strong duality acting on the heterotic axio-dilaton modulus S by a “Fricke involution” S → -1/NS. This is a novel symmetry of CHL models that lies outside of the standard SL(2,Z)-symmetry of the parent theory, heterotic strings on T 6. For self-dual models this implies that the lattice of purely electricmore » charges is N-modular, i.e. isometric to its dual up to a rescaling of its quadratic form by N. We verify this prediction by determining the lattices of electric and magnetic charges in all relevant examples. We also calculate certain BPS-saturated couplings and verify that they are invariant under the Fricke S-duality. For CHL models that are not self-dual, the strong coupling limit is dual to type IIA compactified on T 6/Z N, for some Z N-symmetry preserving half of the spacetime supersymmetries.« less

  14. MODELS-3 (CMAQ). NARSTO NEWS (VOL. 3, NO. 2, SUMMER/FALL 1999)

    EPA Science Inventory

    A revised version of the U.S. EPA's Models-3/CMAQ system was released on June 30, 1999. Models-3 consists of a sophisticated computational framework for environmental models allowing for much flexibility in the communications between component parts of the system, in updating or ...

  15. Supergravity backgrounds for deformations of AdS n × S n supercoset string models

    DOE PAGES

    Lunin, O.; Roiban, R.; Tseytlin, A. A.

    2014-12-11

    We considermore » type IIB supergravity backgrounds corresponding to the deformed AdS n × S n × T 10 - 2 n supercoset string models of the type constructed in arXiv:1309.5850[2] which depend on one deformation parameter κ. In AdS 2 × S 2 case we find that the deformed metric can be extended to a full supergravity solution with non-trivial dilaton, RR scalar and RR 5-form strength. The solution depends on a free parameter a that should be chosen as a particular function of κ to correspond to the deformed supercoset model. In AdS 3 × S 3 case the full solution supported by the dilaton, RR scalar and RR 3-form strength exists only in the two special cases, a = 0 and a = 1 . We conjecture that there may be a more general one-parameter solution supported by several RR fields that for particular a = a ( κ ) corresponds to the supercoset model. In the most complicated deformed AdS 5 × S 5 case we were able to find only the expressions for the dilaton and the RR scalar. The full solution is likely to be supported by a combination of the 5-form and 3-form field strengths. We comment on the singularity structure of the resulting metric and exact dilaton field.« less

  16. Supergravity backgrounds for deformations of AdS n × S n supercoset string models

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lunin, O.; Roiban, R.; Tseytlin, A. A.

    We considermore » type IIB supergravity backgrounds corresponding to the deformed AdS n × S n × T 10 - 2 n supercoset string models of the type constructed in arXiv:1309.5850[2] which depend on one deformation parameter κ. In AdS 2 × S 2 case we find that the deformed metric can be extended to a full supergravity solution with non-trivial dilaton, RR scalar and RR 5-form strength. The solution depends on a free parameter a that should be chosen as a particular function of κ to correspond to the deformed supercoset model. In AdS 3 × S 3 case the full solution supported by the dilaton, RR scalar and RR 3-form strength exists only in the two special cases, a = 0 and a = 1 . We conjecture that there may be a more general one-parameter solution supported by several RR fields that for particular a = a ( κ ) corresponds to the supercoset model. In the most complicated deformed AdS 5 × S 5 case we were able to find only the expressions for the dilaton and the RR scalar. The full solution is likely to be supported by a combination of the 5-form and 3-form field strengths. We comment on the singularity structure of the resulting metric and exact dilaton field.« less

  17. Phase diagrams of the sections As/sub 2/S/sub 3/-Tl/sub 3/AsS/sub 4/, Tl/sub 3/AsS/sub 4/-S, and Tl/sub 3/AsS/sub 4/-Tl/sub 2/S of the ternary system As-Tl-S

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vorob'ev, Yu.I.; Velikova, N.G.; Kirilenko, V.V.

    1987-12-01

    Using DTA and XPA methods, microstructural investigations, and microhardness measurements, phase diagrams of the quasibinary sections As/sub 2/S/sub 3/-Tl/sub 3/AsS/sub 4/, Tl/sub 3/AsS/sub 4/-S, and Tl/sub 3/AsS/sub 4/-Tl/sub 2/S, are characterized by five ternary compounds Tl/sub 3/As/sub 5/S/sub 10/, Tl/sub 9/As/sub 5/S/sub 15/, Tl/sub 9/As/sub 3/S/sub 13/, Tl/sub 3/AsS/sub 6/, and Tl/sub 8/As/sub 2/S/sub 9/, which decompose by peritectic reactions at 198, 307, 408, 362, and 318/degree/C, respectively. Interplanar spacings and line intensities are given for the detected compounds. Glass formation is considered in the Tl-As-S system.

  18. Temperature behaviour of optical parameters in (Ag3AsS3)0.3(As2S3)0.7 thin films

    NASA Astrophysics Data System (ADS)

    Kutsyk, Mykhailo M.; Ráti, Yosyp Y.; Izai, Vitalii Y.; Makauz, Ivan I.; Studenyak, Ihor P.; Kökényesi, Sandor; Komada, Paweł; Zhailaubayev, Yerkin; Smailov, Nurzhigit

    2015-12-01

    (Ag3AsS3)0.3(As2S3)0.7 thin films were deposited onto a quartz substrate by rapid thermal evaporation. The optical transmission spectra of thin films were measured in the temperature range 77-300 K. It is shown that the absorption edge spectra are described by the Urbach rule. The temperature behaviour of absorption spectra was studied, the temperature dependences of energy position of absorption edge and Urbach energy were investigated. The influence of transition from three-dimensional glass to the two-dimensional thin film as well as influence of Ag3AsS3 introduction into As2S3 on the optical parameters of (Ag3AsS3)0.3(As2S3)0.7 were analysed. The spectral and temperature behaviour or refractive index for (Ag3AsS3)0.3(As2S3)0.7 thin film were studied.

  19. Broken S 3S 3R flavor symmetry and leptonic CP violation

    NASA Astrophysics Data System (ADS)

    Si, Zong-guo; Yang, Xing-hua; Zhou, Shun

    2017-11-01

    In the framework of the canonical seesaw model, we present a simple but viable scenario to explicitly break an S 3S 3R flavor symmetry in the leptonic sector. It turns out that the leptonic flavor mixing matrix is completely determined by the mass ratios of the charged leptons (i.e., m e/m μ and m μ/m τ) and those of light neutrinos (i.e., m 1/m 2 and m 2/m 3). The latest global-fit results of the three neutrino mixing angles {θ 12, θ 13, θ 23} and two neutrino mass-squared differences at the 3σ level are used to constrain the parameter space of {m 1/m 2,m 2/m 3}. The predictions for the mass spectrum and flavor mixing are highlighted: (1) the neutrino mass spectrum shows a hierarchical pattern and a normal ordering, e.g., m 1≈2.2 meV, m 2≈8.8 meV and m 3≈52.7 meV (2) only the first octant of θ 23 is allowed, namely, 41.8°≲θ 23≲43.3° (3) the Dirac CP-violating phase δ≈-22° deviates significantly from the maximal value -90°. All these predictions are ready to be tested in ongoing and forthcoming neutrino oscillation experiments. Moreover, we demonstrate that the cosmological matter-antimatter asymmetry can be explained via resonant leptogenesis, including the individual lepton-flavor effects. In our scenario, leptonic CP violation at low- and high-energy scales is closely connected. Supported by NNSFC (11325525), National Recruitment Program for Young Professionals and CAS Center for Excellence in Particle Physics (CCEPP)

  20. Quantum descriptions of singularities leading to pair creation. [of gravitons

    NASA Technical Reports Server (NTRS)

    Misner, C. W.

    1974-01-01

    A class of cosmological models is analyzed which provide a mathematically convenient (but idealized) description of a cosmological singularity that develops into a pair creation epoch and terminates in an adiabatic expansion with redshifting particle energies. This class of models was obtained by Gowdy (1971, 1974) as a set of exact solutions of the classical empty space Einstein equations describing inhomogeneous universes populated only by gravitational waves. It is shown that these models can be used to exhibit simplified models of quantized gravitational fields, and that a quantum description can be given arbitrarily near a cosmological singularity. Graviton pair creation occurs, and can be seen to convert anisotropic expansion rates into the energy of graviton pairs.

  1. User’s Guide for Naval Material Command’s Life Cycle Cost (FLEX) Model.

    DTIC Science & Technology

    1982-04-01

    MATERIAL COMMANDl’S 3 LIFE CYCLE COST (FLEX) MODEL Icc FoIuhrInomto -- -- P ea eCo tc Pleale Cona, ______ _____-Thims document rc~ ofl 5C72 -lot REPORT...Material Command’s Life Cycle Cost (FLEX) Prep. 4/82 ___ Model ______________ ______________ 7. Author(s) S. Performing Organization Rapt. No. R. Dress (ESA...WANG 1I. Abstract (Limit: 200 words) The FLEX-9E life cycle cost comp~uter model is a user-oriented methodology accommodating most cost structures and

  2. Safety assessment of [3S, 3'S]-astaxanthin--Subchronic toxicity study in rats.

    PubMed

    Buesen, R; Schulte, S; Strauss, V; Treumann, S; Becker, M; Gröters, S; Carvalho, S; van Ravenzwaay, B

    2015-07-01

    Astaxanthin, a naturally occurring xanthophyll, is commercially used as a coloring agent in salmon feed, but also marketed as a dietary supplement. The objective of this study was to investigate the subchronic toxicity of synthetic [3S, 3'S]-Astaxanthin in rats. A powder formulation containing approximately 20% [3S, 3'S]-Astaxanthin was administered via the diet to groups of 10 male and 10 female Wistar rats at concentrations of 5000, 15,000 and 50,000 ppm for a period of 13 weeks. A formulation of comparable composition but without [3S, 3'S]-Astaxanthin served as a placebo control. There were no effects observed on survival, clinical examinations, clinical pathology, estrous cycle as well as on sperm parameters. At terminal necropsy, a macroscopically visible brown-blue discoloration of the gastrointestinal contents was noted which was considered to be secondary to the violet-brown color of the test material. No other significant or dose-related abnormalities were found in the tissues collected at termination. Our observations support that ingestion of [3S, 3'S]-Astaxanthin of up to 700-920 mg/kg bw/day in rats in a gelatin/carbohydrate formulation is without adverse effects. Copyright © 2015 Elsevier Ltd. All rights reserved.

  3. A novel S-enantioselective amidase acting on 3,3,3-trifluoro-2-hydroxy-2-methylpropanamide from Arthrobacter sp. S-2.

    PubMed

    Fuhshuku, Ken-ichi; Watanabe, Shunsuke; Nishii, Tetsuro; Ishii, Akihiro; Asano, Yasuhisa

    2015-01-01

    A novel S-enantioselective amidase acting on 3,3,3-trifluoro-2-hydroxy-2-methylpropanamide was purified from Arthrobacter sp. S-2. The enzyme acted S-enantioselectively on 3,3,3-trifluoro-2-hydroxy-2-methylpropanamide to yield (S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid. Based on the N-terminal amino acid sequence of this amidase, the gene coding S-amidase was cloned from the genomic DNA of Arthrobacter sp. S-2 and expressed in an Escherichia coli host. The recombinant S-amidase was purified and characterized. Furthermore, the purified recombinant S-amidase with the C-His6-tag, which was expressed in E. coli as the C-His6-tag fusion protein, was used in the kinetic resolution of (±)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide to obtain (S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid and (R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

  4. Review of CTF s Fuel Rod Modeling Using FRAPCON-4.0 s Centerline Temperature Predictions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Toptan, Aysenur; Salko, Robert K; Avramova, Maria

    Coolant Boiling in Rod Arrays Two Fluid (COBRA-TF), or CTF1 [1], is a nuclear thermal hydraulic subchannel code used throughout academia and industry. CTF s fuel rod modeling is originally developed for VIPRE code [2]. Its methodology is based on GAPCON [3] and FRAP [4] fuel performance codes, and material properties are included from MATPRO handbook [5]. This work focuses on review of CTF s fuel rod modeling to address shortcomings in CTF s temperature predictions. CTF is compared to FRAPCON which is U.S. NRC s steady-state fuel performance code for light-water reactor fuel rods. FRAPCON calculates the changes inmore » fuel rod variables and temperatures including the eects of cladding hoop strain, cladding oxidation, hydriding, fuel irradiation swelling, densification, fission gas release and rod internal gas pressure. It uses fuel, clad and gap material properties from MATPRO. Additionally, it has its own models for fission gas release, cladding corrosion and cladding hydrogen pickup. It allows finite dierence or finite element approaches for its mechanical model. In this study, FRAPCON-4.0 [6] is used as a reference fuel performance code. In comparison, Halden Reactor Data for IFA432 Rod 1 and Rod 3. CTF simulations are performed in two ways; informing CTF with gap conductance value from FRAPCON, and using CTF s dynamic gap conductance model. First case is chosen to show temperature is predicted correctly with CTF s models for thermal and cladding conductivities once gap conductance is provided. Latter is to review CTF s dynamic gap conductance model. These Halden test cases are selected to be representative of cases with and without any physical contact between fuel-pellet and clad while reviewing functionality of CTF s dynamic gap conductance model. Improving the CTF s dynamic gap conductance model will allow prediction of fuel and cladding thermo-mechanical behavior under irradiation, and better temperature feedbacks from CTF in transient calculations.« less

  5. Electrical conductivity studies in (Ag3AsS3)x(As2S3)1-x superionic glasses and composites

    NASA Astrophysics Data System (ADS)

    Studenyak, I. P.; Neimet, Yu. Yu.; Kranjčec, M.; Solomon, A. M.; Orliukas, A. F.; Kežionis, A.; Kazakevičius, E.; Šalkus, T.

    2014-01-01

    Compositional, frequency, and temperature studies of impedance and electrical conductivity in (Ag3AsS3)x(As2S3)1-x superionic glasses and composites were performed. Frequency range from 10 Hz to 3 × 109 Hz and temperature interval 300-400 K were used for the measurements. Compositional dependences of electrical conductivity and activation energy are analyzed; the most substantial changes are observed with the transition from (Ag3AsS3)0.4(As2S3)0.6 glass to (Ag3AsS3)0.5(As2S3)0.5 composite. With increase of Ag3AsS3 content, the investigated materials are found to have crystalline inclusions and show the two-phase composite nature. Addition of Ag3AsS3 leads to the increase of electrical conductivity whereas the activation energy decreases.

  6. Nonequilibrium dynamics of the O( N ) model on dS3 and AdS crunches

    NASA Astrophysics Data System (ADS)

    Kumar, S. Prem; Vaganov, Vladislav

    2018-03-01

    We study the nonperturbative quantum evolution of the interacting O( N ) vector model at large- N , formulated on a spatial two-sphere, with time dependent couplings which diverge at finite time. This model - the so-called "E-frame" theory, is related via a conformal transformation to the interacting O( N ) model in three dimensional global de Sitter spacetime with time independent couplings. We show that with a purely quartic, relevant deformation the quantum evolution of the E-frame model is regular even when the classical theory is rendered singular at the end of time by the diverging coupling. Time evolution drives the E-frame theory to the large- N Wilson-Fisher fixed point when the classical coupling diverges. We study the quantum evolution numerically for a variety of initial conditions and demonstrate the finiteness of the energy at the classical "end of time". With an additional (time dependent) mass deformation, quantum backreaction lowers the mass, with a putative smooth time evolution only possible in the limit of infinite quartic coupling. We discuss the relevance of these results for the resolution of crunch singularities in AdS geometries dual to E-frame theories with a classical gravity dual.

  7. MMDB: Entrez’s 3D-structure database

    PubMed Central

    Wang, Yanli; Anderson, John B.; Chen, Jie; Geer, Lewis Y.; He, Siqian; Hurwitz, David I.; Liebert, Cynthia A.; Madej, Thomas; Marchler, Gabriele H.; Marchler-Bauer, Aron; Panchenko, Anna R.; Shoemaker, Benjamin A.; Song, James S.; Thiessen, Paul A.; Yamashita, Roxanne A.; Bryant, Stephen H.

    2002-01-01

    Three-dimensional structures are now known within many protein families and it is quite likely, in searching a sequence database, that one will encounter a homolog with known structure. The goal of Entrez’s 3D-structure database is to make this information, and the functional annotation it can provide, easily accessible to molecular biologists. To this end Entrez’s search engine provides three powerful features. (i) Sequence and structure neighbors; one may select all sequences similar to one of interest, for example, and link to any known 3D structures. (ii) Links between databases; one may search by term matching in MEDLINE, for example, and link to 3D structures reported in these articles. (iii) Sequence and structure visualization; identifying a homolog with known structure, one may view molecular-graphic and alignment displays, to infer approximate 3D structure. In this article we focus on two features of Entrez’s Molecular Modeling Database (MMDB) not described previously: links from individual biopolymer chains within 3D structures to a systematic taxonomy of organisms represented in molecular databases, and links from individual chains (and compact 3D domains within them) to structure neighbors, other chains (and 3D domains) with similar 3D structure. MMDB may be accessed at http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=Structure. PMID:11752307

  8. The Mechanism and Dynamics of N-S Rifting in Southern Tibet: Insight From 3-D Thermomechanical Modeling

    NASA Astrophysics Data System (ADS)

    Pang, Yajin; Zhang, Huai; Gerya, Taras V.; Liao, Jie; Cheng, Huihong; Shi, Yaolin

    2018-01-01

    N-S trending rifts are widely distributed in southern Tibet, suggesting that this region is under E-W extension, behind the N-S collision between the Eurasia and India plates. Geophysical anomalies and Miocene magma extrusions indicate the presence of dispersed weak zones in the middle to lower crust in southern Tibet. These weak zones are partially located underneath the N-S rifting systems. In order to study the formation of rifts in collision zones, we have developed a high-resolution 3-D thermomechanical model of continental lithosphere with bidirectional compressional-extensional deformation, and spatially localized weak and low-density zones in the middle to lower crust. Our numerical experiments systematically reproduce the development of N-S trending rifts. Model results reveal that the weak middle to lower crust triggers the development of normal faults in the upper crust and surface uplift, whereas regions without such weak layer or with small-scale weak zones are characterized by strike-slip faulting. Geodynamic properties (density, depth, and geometry) of the weak middle to lower crust and Moho temperature notably influence the rifting pattern. In addition, rifting formation is critically controlled by large E-W extension, with the ratio of extensional to compressional strain rate larger than 1.5 in the model with continuous weak middle crust. Our simulated rifting patterns correlate well with the observations in southern Tibet; we conclude that a combination of the bidirectional compression-extension and the presence of locally weak middle to lower crust triggered the development of the rifting systems in southern Tibet.

  9. 3D Process-Oriented Gravity Modelling applied north of 49°S on the Argentine continental margin

    NASA Astrophysics Data System (ADS)

    Pedraza De Marchi, Ana C.; Ghidella, Marta E.; Tocho, Claudia N.

    2018-01-01

    The Process-Oriented Gravity Modelling (POGM) technique represents a useful way to distinguish the contribution that different geological processes make to the observed gravity in passive margins. The POGM is an innovative gravity modelling approach that can give us information about the role that processes such as sedimentation and magmatic underplating, together with their loading effects, may play in the evolution of a margin. In this work, the POGM methodology has been applied with in a 2D and 3D approach. 2D profiles spaced every one arc-minute in the area of the Argentine continental margin, between 38.5°S and 49°S latitude and 64°W and 50°W longitude, were used to generate the latter. The 3D POGM was also solved and the result was compared with that obtained from 2D profiles. The comparison with the observed anomaly, using the 3D approach from 2D profiles gave results with enhanced resolution. The best fit between the calculated and observed gravity anomaly is given by an effective elastic thickness of 15 km. A cortical thickness map obtained as a result of the POGM calculations shows basin areas characterized by a thinned crust and a structural variation where the continental-oceanic boundary (COB) could be indicated. Besides, results of POGM allow us to detect an alignment between the Valdés and Rawson basins and possibly a third basin as a probable aulacogen. A stretching factor analysis shows that in these basins a stretching period existed but it did not reach the stage of oceanic crust formation. A strong positive residue in the Colorado basin is shown by the flexural isostatic anomaly, suggesting that the basin may continue in subsidence.

  10. Minimal S U ( 3 ) × S U ( 3 ) symmetry breaking patterns

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bai, Yang; Dobrescu, Bogdan A.

    Here, we study the vacua of anmore » $$SU(3)\\times SU(3)$$-symmetric model with a bifundamental scalar. Structures of this type appear in various gauge theories such as the Renormalizable Coloron Model, which is an extension of QCD, or the Trinification extension of the electroweak group. In other contexts, such as chiral symmetry, $$SU(3)\\times SU(3)$$ is a global symmetry. As opposed to more general $$SU(N)\\times SU(N)$$ symmetric models, the $N=3$ case is special due to the presence of a trilinear scalar term in the potential. We find that the most general tree-level potential has only three types of minima: one that preserves the diagonal $SU(3)$ subgroup, one that is $$SU(2)\\times SU(2)\\times U(1)$$ symmetric, and a trivial one where the full symmetry remains unbroken. The phase diagram is complicated, with some regions where there is a unique minimum, and other regions where two minima coexist.« less

  11. Minimal S U ( 3 ) × S U ( 3 ) symmetry breaking patterns

    DOE PAGES

    Bai, Yang; Dobrescu, Bogdan A.

    2018-03-16

    Here, we study the vacua of anmore » $$SU(3)\\times SU(3)$$-symmetric model with a bifundamental scalar. Structures of this type appear in various gauge theories such as the Renormalizable Coloron Model, which is an extension of QCD, or the Trinification extension of the electroweak group. In other contexts, such as chiral symmetry, $$SU(3)\\times SU(3)$$ is a global symmetry. As opposed to more general $$SU(N)\\times SU(N)$$ symmetric models, the $N=3$ case is special due to the presence of a trilinear scalar term in the potential. We find that the most general tree-level potential has only three types of minima: one that preserves the diagonal $SU(3)$ subgroup, one that is $$SU(2)\\times SU(2)\\times U(1)$$ symmetric, and a trivial one where the full symmetry remains unbroken. The phase diagram is complicated, with some regions where there is a unique minimum, and other regions where two minima coexist.« less

  12. EXACT S-MATRICES FOR AdS3/CFT2

    NASA Astrophysics Data System (ADS)

    Ahn, Changrim; Bombardelli, Diego

    2013-12-01

    We propose exact S-matrices for the AdS3/CFT2 duality between type IIB strings on AdS3×S3×M4 with M4 = S3×S1 or T4 and the corresponding two-dimensional conformal field theories. We fix the two-particle S-matrices on the basis of the symmetries su(1|1) and su(1|1)×su(1|1). A crucial justification comes from the derivation of the all-loop Bethe ansatz matching exactly the recent conjecture proposed by Babichenko et al. [J. High Energy Phys.1003, 058 (2010), arXiv:0912.1723 [hep-th

  13. MODELS-3/CMAQ APPLICATIONS WHICH ILLUSTRATE CAPABILITY AND FUNCTIONALITY

    EPA Science Inventory

    The Models-3/CMAQ developed by the U.S. Environmental Protections Agency (USEPA) is a third generation multiscale, multi-pollutant air quality modeling system within a high-level, object-oriented computer framework (Models-3). It has been available to the scientific community ...

  14. [Atmospheric correction of visible-infrared band FY-3A/MERSI data based on 6S model].

    PubMed

    Wu, Yong-Li; Luan, Qing; Tian, Guo-Zhen

    2011-06-01

    Based on the observation data from the meteorological stations in Taiyuan City and its surrounding areas of Shanxi Province, the atmosphere parameters for 6S model were supplied, and the atmospheric correction of visible-infrared band (precision 250 meters) FY-3A/MERSI data was conducted. After atmospheric correction, the range of visible-infrared band FY-3A/MERSI data was widened, reflectivity increased, high peak was higher, and distribution histogram was smoother. In the meantime, the threshold value of NDVI data reflecting vegetation condition increased, and its high peak was higher, more close to the real data. Moreover, the color synthesis image of correction data showed more abundant information, its brightness increased, contrast enhanced, and the information reflected was more close to real.

  15. Tune-out wavelength for the 1 s 2 s3 S - 1 s 3 p 3 P transition of helium: relativistic effects

    NASA Astrophysics Data System (ADS)

    Drake, Gordon W. F.; Manalo, Jacob

    2017-04-01

    The tune-out wavelength is the wavelength at which the frequency dependent polarizability of an atom vanishes. It can be measured to very high precision by means of an interferometric comparison between two beams. This paper is part of a joint theoretical/ experimental project with K. Baldwin et al. (Australian National University) and L.-Y. Tang et al. (Wuhan Institute of Physics and Mathematics) to perform a high precision comparison between theory and experiment as a probe of atomic structure, including relativistic and quantum electrodynamic effects. We will report the results of calculations for the tune-out wavelength that is closest to the 1 s 2 s3 S - 1 s 3 p3 P transition of 4He. Our result for the M = 0 magnetic substate, obtained with a fully correlated Hylleraas basis set, is 413 . 079 958 51 (12) nm. This includes a leading relativistic contribution of - 0 . 059 218 5 (16) nm from the Breit interaction as a perturbation, and a relativistic recoil contribution of - 0 . 000 044 47 (17) nm. The results will be compared with recent relativistic CI calculations. Research supported by tha Natural Sciences and Engineering Research Council of Canada.

  16. Blockade of S100A3 activity inhibits murine hair growth.

    PubMed

    Guan, W; Deng, Q; Yu, X L; Yuan, Y S; Gao, J; Li, J J; Zhou, L; Xia, P; Han, G Y Q; Han, W; Yu, Y

    2015-10-28

    Using mouse gene expression microarray analysis, we obtained dynamic expression profiles of the whole genome in a depilation-induced hair growth mouse model. S100A3 expression increased during the anagen phase and returned to normal during the telogen phase. The effects of S100A3 blockade on the hair growth cycle were examined in mice after subcutaneous injection of an anti-mouse S100A3 antibody. Protein localization of S100A3 was confined to the hair shafts during the anagen phase and the sebaceous glands during the telogen phase. S100A3 blockade delayed hair follicle entry into the anagen phase, decreased hair elongation, and reduced the number of hair follicles in the subcutis, which correlated with the downregulated expression of hair growth induction-related genes in vivo. The present study demonstrates that anti-S100A3 antibody inhibits mouse hair growth, suggesting that S100A3 can be used as a target for hair loss treatment.

  17. S3: School Zone Safety System Based on Wireless Sensor Network

    PubMed Central

    Yoo, Seong-eun; Chong, Poh Kit; Kim, Daeyoung

    2009-01-01

    School zones are areas near schools that have lower speed limits and where illegally parked vehicles pose a threat to school children by obstructing them from the view of drivers. However, these laws are regularly flouted. Thus, we propose a novel wireless sensor network application called School zone Safety System (S3) to help regulate the speed limit and to prevent illegal parking in school zones. S3 detects illegally parked vehicles, and warns the driver and records the license plate number. To reduce the traveling speed of vehicles in a school zone, S3 measures the speed of vehicles and displays the speed to the driver via an LED display, and also captures the image of the speeding vehicle with a speed camera. We developed a state machine based vehicle detection algorithm for S3. From extensive experiments in our testbeds and data from a real school zone, it is shown that the system can detect all kinds of vehicles, and has an accuracy of over 95% for speed measurement. We modeled the battery life time of a sensor node and validated the model with a downscaled measurement; we estimate the battery life time to be over 2 years. We have deployed S3 in 15 school zones in 2007, and we have demonstrated the robustness of S3 by operating them for over 1 year. PMID:22454567

  18. Differentiation of individual selves facilitates group-level benefits of ultrasociality.

    PubMed

    Ainsworth, Sarah E; Baumeister, Roy F; Vohs, Kathleen D

    2016-01-01

    Gowdy & Krall's target article complements our recent theorizing on group behavior. In our comment, we elucidate complementary aspects of the two theories and highlight the importance of differentiation of selves for human groups to reap the benefits of ultrasociality. We propose that achieving optimal group outcomes depends on the differentiation of individual selves.

  19. NASA S-3 Viking Aircraft

    NASA Image and Video Library

    2010-04-07

    This photo shows NASA Glenn’s S-3 Viking Aircraft flying over downtown Cleveland, Ohio. The S-3 continues to conduct important research including regular flights over Lake Erie and other waterways to image algal blooms that have plagued the area’s waters.

  20. Implementing Network Common Data Form (netCDF) for the 3DWF Model

    DTIC Science & Technology

    2016-02-01

    format. In addition, data extraction from netCDF-formatted Weather Research and Forecasting ( WRF ) model results necessary for the 3DWF model’s wind...Requirement for the 3DWF Model 1 3. Implementing netCDF to the 3DWF Model 2 3.1 Weather Research and Forecasting ( WRF ) domain and results 3 3.2...Extracting Variables from netCDF Formatted WRF Data File 5 3.3 Converting the 3DWF’s Results into netCDF 11 4. Conclusion 14 5. References 15 Appendix

  1. Integrating O/S models during conceptual design, part 1

    NASA Technical Reports Server (NTRS)

    Ebeling, Charles E.

    1994-01-01

    The University of Dayton is pleased to submit this report to the National Aeronautics and Space Administration (NASA), Langley Research Center, which integrates a set of models for determining operational capabilities and support requirements during the conceptual design of proposed space systems. This research provides for the integration of the reliability and maintainability (R&M) model, both new and existing simulation models, and existing operations and support (O&S) costing equations in arriving at a complete analysis methodology. Details concerning the R&M model and the O&S costing model may be found in previous reports accomplished under this grant (NASA Research Grant NAG1-1327). In the process of developing this comprehensive analysis approach, significant enhancements were made to the R&M model, updates to the O&S costing model were accomplished, and a new simulation model developed. This is the 1st part of a 3 part technical report.

  2. Left-invariant Einstein metrics on S3 ×S3

    NASA Astrophysics Data System (ADS)

    Belgun, Florin; Cortés, Vicente; Haupt, Alexander S.; Lindemann, David

    2018-06-01

    The classification of homogeneous compact Einstein manifolds in dimension six is an open problem. We consider the remaining open case, namely left-invariant Einstein metrics g on G = SU(2) × SU(2) =S3 ×S3. Einstein metrics are critical points of the total scalar curvature functional for fixed volume. The scalar curvature S of a left-invariant metric g is constant and can be expressed as a rational function in the parameters determining the metric. The critical points of S, subject to the volume constraint, are given by the zero locus of a system of polynomials in the parameters. In general, however, the determination of the zero locus is apparently out of reach. Instead, we consider the case where the isotropy group K of g in the group of motions is non-trivial. When K ≇Z2 we prove that the Einstein metrics on G are given by (up to homothety) either the standard metric or the nearly Kähler metric, based on representation-theoretic arguments and computer algebra. For the remaining case K ≅Z2 we present partial results.

  3. Internally consistent database for sulfides and sulfosalts in the system Ag 2S-Cu 2S-ZnS-Sb 2S 3-As 2S 3

    NASA Astrophysics Data System (ADS)

    Sack, Richard O.

    2000-11-01

    An updated thermodynamic database for Ag 2S-Cu 2S-ZnS-Sb 2S 3-As 2S 3 sulfides and sulfosalts applicable to temperatures above 119°C is developed to calculate phase relations for polybasite-pearceite- and fahlore-bearing assemblages. It is based on pre-existing and new constraints on activity-composition, Ag-Cu and As-Sb partitioning, and other relations, and on experiments (200-300°C, evacuated silica tubes) conducted to define the stability of the polybasite-pearceite [(Ag 1- x,Cu x) 16(Sb 1- y,As y) 2S 11] + ZnS sphalerite assemblage with respect to assemblages containing (Ag,Cu) 2S sulfides coexisting with (Cu, Ag) 10Zn 2(Sb,As) 4S 13 fahlore sulfosalts. It was found that the thermodynamics of mixing of bcc- and hcp-(Ag,Cu) 2S solutions, which are fast-ion conductors, may be described by using site multiplicities of metals α Ag,Cu > 2 and temperature-dependent regular solution parameters. We obtained estimates for the Gibbs energies of formation for Ag 16Sb 2S 11 and Cu 16Sb 2S 11 polybasite endmembers from the simple sulfides (Ag 2S, Cu 2S, and Sb 2S 3) of -30.79 and -4.07 kJ/gfw at 200°C, and -32.04 and -0.59 kJ/gfw at 400°C, respectively, that are about one half kJ/gfw more positive and about 6 kJ/gfw more negative than those estimated by Harlov and Sack (1995b). The corresponding estimates for formation energies of Ag 10Zn 2Sb 4S 13 and Cu 10Zn 2Sb 4S 13 fahlores (-20.29 and -105.29 kJ/gfw at 200°C and -23.72 and -105.76 kJ/gfw at 400°C) are comparable to, and roughly 110 kJ/gfw more positive than, the corresponding estimates of Ebel and Sack (1994). We also determined that the Gibbs energies of the As-Sb exchange reactions: 1/4Ag 10Zn2Sb4S13+1/2Ag 16As2S11=1/2Ag 16Sb2S11+1/4Ag 10Zn2As4S13Sb-fahlorepearceitepolybasiteAs-fahlore and Ag3SbS3+1/2Ag 16As2S11=1/2Ag 16Sb2S11+Ag3AsS3pyrargyritepearceitepolybasiteproustite are, respectively, 8.75 and 0.40 kJ/gfw in the range 150-350°C, and these predictions are consistent with As-Sb partitioning relations

  4. MT3DMS: Model use, calibration, and validation

    USGS Publications Warehouse

    Zheng, C.; Hill, Mary C.; Cao, G.; Ma, R.

    2012-01-01

    MT3DMS is a three-dimensional multi-species solute transport model for solving advection, dispersion, and chemical reactions of contaminants in saturated groundwater flow systems. MT3DMS interfaces directly with the U.S. Geological Survey finite-difference groundwater flow model MODFLOW for the flow solution and supports the hydrologic and discretization features of MODFLOW. MT3DMS contains multiple transport solution techniques in one code, which can often be important, including in model calibration. Since its first release in 1990 as MT3D for single-species mass transport modeling, MT3DMS has been widely used in research projects and practical field applications. This article provides a brief introduction to MT3DMS and presents recommendations about calibration and validation procedures for field applications of MT3DMS. The examples presented suggest the need to consider alternative processes as models are calibrated and suggest opportunities and difficulties associated with using groundwater age in transport model calibration.

  5. Superconductivity in semimetallic B i 3 O 2 S 3

    DOE PAGES

    Li, L.; Parker, D.; Babkevich, P.; ...

    2015-03-12

    We report in this paper a further investigation on the thermodynamic and transport properties, and an assessment of theoretical calculations, for the BiS 2-layered Bi 3O 2S 3 superconductor. The polycrystalline sample is synthesized with a superconducting transition temperature of T c onset=5.75K and T c zero=4.03K (≈Tc mag) that drops to 3.3 K by applying a hydrostatic pressure of 6 kbar. Density-of-states (DOS) calculations give substantial hybridization between Bi, O, and S, with Bi the largest component of DOS, which supports the idea that the BiS 2 layer is relevant for producing electron-phonon coupling. An analysis of previously publishedmore » specific heat data for Bi 3O 2S 3 is additionally suggestive of a strong electron-phonon interaction in the Bi-O-S system. The analysis of the Seebeck coefficient results strongly suggests that Bi 3O 2S 3 is a semimetal. In fact, we found the semimetallic or narrow band gap behavior may occur in certain other materials in the BiS 2-layered class of materials, such as Bi 4O 4S 3.« less

  6. H Λ 3 and H - Λ ¯ 3 production in Pb–Pb collisions at s NN = 2.76  TeV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Adam, J.; Adamová, D.; Aggarwal, M. M.

    We measured the production of the hypertriton nucleimore » $$3\\atop{Λ}$$ and $$3\\atop{\\bar{Λ}}$$$\\bar{H}$$ for the first time in Pb-Pb collisions at √s NN = 2.76 TeVwith the ALICE experiment at LHC. The p T-integrated $$3\\atop{Λ}$$ yield in one unity of rapidity, dN/dy x B.R.(($$3\\atop{Λ}$$ -> 3He,π -)) = (3.86 ± 0.77(stat.) ± 0.68(syst.)) x 10 -5 in the 0-10% most central collisions, is consistent with the predictions from a statistical thermal model using the same temperature as for the light hadrons. Furthermore, the coalescence parameter B 3 shows a dependence on the transverse momentum, similar to the B 2 of deuterons and the B 3 of He 3 nuclei. The ratio of yields S 3 = $$3\\atop{Λ}$$/(He 3 x Lambda/p) was measured to be S 3 = 0.60 ± 0.13(stat.) ± 0.21(syst.) in 0-10% centrality events; this value is compared to different theoretical models. The measured S 3 is compatible with thermal model predictions. The $$3\\atop{Λ}$$ lifetime, τ = 181$$+54\\atop{-39}$$(stat.) ± 33(syst.) ps, that we measured, is in agreement within 1σ with the world average value.« less

  7. H Λ 3 and H - Λ ¯ 3 production in Pb–Pb collisions at s NN = 2.76  TeV

    DOE PAGES

    Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

    2016-01-25

    We measured the production of the hypertriton nucleimore » $$3\\atop{Λ}$$ and $$3\\atop{\\bar{Λ}}$$$\\bar{H}$$ for the first time in Pb-Pb collisions at √s NN = 2.76 TeVwith the ALICE experiment at LHC. The p T-integrated $$3\\atop{Λ}$$ yield in one unity of rapidity, dN/dy x B.R.(($$3\\atop{Λ}$$ -> 3He,π -)) = (3.86 ± 0.77(stat.) ± 0.68(syst.)) x 10 -5 in the 0-10% most central collisions, is consistent with the predictions from a statistical thermal model using the same temperature as for the light hadrons. Furthermore, the coalescence parameter B 3 shows a dependence on the transverse momentum, similar to the B 2 of deuterons and the B 3 of He 3 nuclei. The ratio of yields S 3 = $$3\\atop{Λ}$$/(He 3 x Lambda/p) was measured to be S 3 = 0.60 ± 0.13(stat.) ± 0.21(syst.) in 0-10% centrality events; this value is compared to different theoretical models. The measured S 3 is compatible with thermal model predictions. The $$3\\atop{Λ}$$ lifetime, τ = 181$$+54\\atop{-39}$$(stat.) ± 33(syst.) ps, that we measured, is in agreement within 1σ with the world average value.« less

  8. Inflammation-induced S100A8 activates Id3 and promotes colorectal tumorigenesis.

    PubMed

    Zhang, Xuemei; Ai, Feiyan; Li, Xiayu; She, Xiaoling; Li, Nan; Tang, Anliu; Qin, Zailong; Ye, Qiurong; Tian, Li; Li, Guiyuan; Shen, Shourong; Ma, Jian

    2015-12-15

    The aberrant expression of S100A8 and S100A9 is linked to nonresolving inflammation and ultimately to carcinogenesis, whereas the underlying mechanism that allows inflammation to progress to specific cancer types remains unknown. Here, we report that S100A8 was induced by inflammation and then promoted colorectal tumorigenesis downstream by activating Id3 (inhibitor of differentiation 3). Using gene expression profiling and immunohistochemistry, we found that both S100A8 and S100A9 were upregulated in the chemically-induced colitis-associated cancer mouse model and in human colorectal cancer specimens. Furthermore, we showed that S100A8 and S100A9 acted as chemoattractant proteins by recruiting macrophages, promoting the proliferation and invasion of colon cancer cell, as well as spurring the cycle that culminates in the acceleration of cancer metastasis in a nude mouse model. S100A8 regulated colon cancer cell cycle and proliferation by inducing Id3 expression while inhibiting p21. Id3 expression was regulated by Smad5, which was directly phosphorylated by Akt1. Our study revealed a novel mechanism in which inflammation-induced S100A8 promoted colorectal tumorigenesis by acting upstream to activate the Akt1-Smad5-Id3 axis. © 2015 UICC.

  9. H3Λ and ‾ Λ bar 3H production in Pb-Pb collisions at √{sNN} = 2.76 TeV

    NASA Astrophysics Data System (ADS)

    Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahn, S. U.; Aimo, I.; Aiola, S.; Ajaz, M.; Akindinov, A.; Alam, S. N.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Anielski, J.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Armesto, N.; Arnaldi, R.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Bach, M.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Baldisseri, A.; Baltasar Dos Santos Pedrosa, F.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biswas, R.; Biswas, S.; Bjelogrlic, S.; Blanco, F.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botje, M.; Botta, E.; Böttger, S.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Buxton, J. T.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Cavicchioli, C.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Chunhui, Z.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; De, S.; De Caro, A.; de Cataldo, G.; de Cuveland, J.; De Falco, A.; De Gruttola, D.; De Marco, N.; De Pasquale, S.; Deisting, A.; Deloff, A.; Dénes, E.; D'Erasmo, G.; Di Bari, D.; Di Mauro, A.; Di Nezza, P.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Dobrowolski, T.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Engel, H.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Eschweiler, D.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Felea, D.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Frankenfeld, U.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gallio, M.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Germain, M.; Gheata, A.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Gomez Ramirez, A.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Grosse-Oetringhaus, J. F.; Grossiord, J.-Y.; Grosso, R.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gulkanyan, H.; Gunji, T.; Gupta, A.; Gupta, R.; Haake, R.; Haaland, Ø.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hansen, A.; Harris, J. W.; Hartmann, H.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Heide, M.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hilden, T. E.; Hillemanns, H.; Hippolyte, B.; Hosokawa, R.; Hristov, P.; Huang, M.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Ilkiv, I.; Inaba, M.; Ionita, C.; Ippolitov, M.; Irfan, M.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacobs, P. M.; Jadlovska, S.; Jahnke, C.; Jang, H. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jung, H.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kamin, J.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Khan, K. H.; Khan, M. M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Kileng, B.; Kim, B.; Kim, D. W.; Kim, D. J.; Kim, H.; Kim, J. S.; Kim, M.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobayashi, T.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Kox, S.; Koyithatta Meethaleveedu, G.; Kral, J.; Králik, I.; Kravčáková, A.; Krelina, M.; Kretz, M.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kugathasan, T.; Kuhn, C.; Kuijer, P. G.; Kulakov, I.; Kumar, J.; Kumar, L.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kushpil, S.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, G. R.; Lee, S.; Legrand, I.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; Leoncino, M.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loggins, V. R.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.; Luz, P. H. F. N. D.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manceau, L.; Manko, V.; Manso, F.; Manzari, V.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin, N. A.; Martin Blanco, J.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Martynov, Y.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Massacrier, L.; Mastroserio, A.; Masui, H.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; Mcdonald, D.; Meddi, F.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Minervini, L. M.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Morando, M.; Moreira De Godoy, D. A.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Murray, S.; Musa, L.; Musinsky, J.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Nattrass, C.; Nayak, K.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Olah, L.; Oleniacz, J.; Oliveira Da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, P.; Paić, G.; Pajares, C.; Pal, S. K.; Pan, J.; Pandey, A. K.; Pant, D.; Papcun, P.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Peitzmann, T.; Pereira Da Costa, H.; Pereira De Oliveira Filho, E.; Peresunko, D.; Pérez Lara, C. E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Read, K. F.; Real, J. S.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Rettig, F.; Revol, J.-P.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rivetti, A.; Rocco, E.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Romita, R.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salgado, C. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Sanchez Castro, X.; Šándor, L.; Sandoval, A.; Sano, M.; Santagati, G.; Sarkar, D.; Scapparone, E.; Scarlassara, F.; Scharenberg, R. P.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schuchmann, S.; Schukraft, J.; Schulc, M.; Schuster, T.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Seeder, K. S.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Seo, J.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, N.; Shigaki, K.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singha, S.; Singhal, V.; Sinha, B. C.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Søgaard, C.; Soltz, R.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; Spacek, M.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Srivastava, B. K.; Stachel, J.; Stan, I.; Stefanek, G.; Steinpreis, M.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Sultanov, R.; Šumbera, M.; Symons, T. J. M.; Szabo, A.; Szanto de Toledo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Takahashi, J.; Tanaka, N.; Tangaro, M. A.; Tapia Takaki, J. D.; Tarantola Peloni, A.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Thomas, D.; Tieulent, R.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vajzer, M.; Vala, M.; Valencia Palomo, L.; Vallero, S.; Van Der Maarel, J.; Van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vechernin, V.; Veen, A. M.; Veldhoen, M.; Velure, A.; Venaruzzo, M.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Verweij, M.; Vickovic, L.; Viesti, G.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Vinogradov, A.; Vinogradov, L.; Vinogradov, Y.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Vyushin, A.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Wang, Y.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Wessels, J. P.; Westerhoff, U.; Wiechula, J.; Wikne, J.; Wilde, M.; Wilk, G.; Wilkinson, J.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yaldo, C. G.; Yang, H.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yurchenko, V.; Yushmanov, I.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zhu, X.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.

    2016-03-01

    The production of the hypertriton nuclei H3Λ and ‾ Λ bar 3H has been measured for the first time in Pb-Pb collisions at √{sNN} = 2.76 TeV with the ALICE experiment at LHC. The pT-integrated H3Λ yield in one unity of rapidity, dN / dy ×B . R . (H3Λ →3He ,π-) = (3.86 ± 0.77 (stat.) ± 0.68 (syst.)) ×10-5 in the 0-10% most central collisions, is consistent with the predictions from a statistical thermal model using the same temperature as for the light hadrons. The coalescence parameter B3 shows a dependence on the transverse momentum, similar to the B2 of deuterons and the B3 of 3He nuclei. The ratio of yields S3 =H3Λ / (3He × Λ / p) was measured to be S3 = 0.60 ± 0.13 (stat.) ± 0.21 (syst.) in 0-10% centrality events; this value is compared to different theoretical models. The measured S3 is compatible with thermal model predictions. The measured H3Λ lifetime, τ =181-39+54 (stat.) ± 33 (syst.) ps is in agreement within 1σ with the world average value.

  10. MODFLOW-2000, the U.S. Geological Survey modular ground-water model : user guide to the LMT6 package, the linkage with MT3DMS for multi-species mass transport modeling

    USGS Publications Warehouse

    Zheng, Chunmiao; Hill, Mary Catherine; Hsieh, Paul A.

    2001-01-01

    MODFLOW-2000, the newest version of MODFLOW, is a computer program that numerically solves the three-dimensional ground-water flow equation for a porous medium using a finite-difference method. MT3DMS, the successor to MT3D, is a computer program for modeling multi-species solute transport in three-dimensional ground-water systems using multiple solution techniques, including the finite-difference method, the method of characteristics (MOC), and the total-variation-diminishing (TVD) method. This report documents a new version of the Link-MT3DMS Package, which enables MODFLOW-2000 to produce the information needed by MT3DMS, and also discusses new visualization software for MT3DMS. Unlike the Link-MT3D Packages that coordinated previous versions of MODFLOW and MT3D, the new Link-MT3DMS Package requires an input file that, among other things, provides enhanced support for additional MODFLOW sink/source packages and allows list-directed (free) format for the flow model produced flow-transport link file. The report contains four parts: (a) documentation of the Link-MT3DMS Package Version 6 for MODFLOW-2000; (b) discussion of several issues related to simulation setup and input data preparation for running MT3DMS with MODFLOW-2000; (c) description of two test example problems, with comparison to results obtained using another MODFLOW-based transport program; and (d) overview of post-simulation visualization and animation using the U.S. Geological Survey?s Model Viewer.

  11. Isometry group orbit quantization of spinning strings in AdS3 × S3

    NASA Astrophysics Data System (ADS)

    Heinze, Martin; Jorjadze, George; Megrelidze, Luka

    2015-03-01

    Describing the bosonic AdS3 × S3 particle and string in SU(1,1) × SU(2) group variables, we provide a Hamiltonian treatment of the isometry group orbits of solutions via analysis of the pre-symplectic form. For the particle we obtain a one-parameter family of orbits parameterized by creation-annihilation variables, which leads to the Holstein-Primakoff realization of the isometry group generators. The scheme is then applied to spinning string solutions characterized by one winding number in AdS3 and two winding numbers in S3. We find a two-parameter family of orbits, where quantization again provides the Holstein-Primakoff realization of the symmetry generators with an oscillator-type energy spectrum. Analyzing the minimal energy at strong coupling, we verify the spectrum of short strings at special values of winding numbers.

  12. S1PR3 Signaling Drives Bacterial Killing and Is Required for Survival in Bacterial Sepsis.

    PubMed

    Hou, JinChao; Chen, QiXing; Wu, XiaoLiang; Zhao, DongYan; Reuveni, Hadas; Licht, Tamar; Xu, MengLong; Hu, Hu; Hoeft, Andreas; Ben-Sasson, Shmuel A; Shu, Qiang; Fang, XiangMing

    2017-12-15

    Efficient elimination of pathogenic bacteria is a critical determinant in the outcome of sepsis. Sphingosine-1-phosphate receptor 3 (S1PR3) mediates multiple aspects of the inflammatory response during sepsis, but whether S1PR3 signaling is necessary for eliminating the invading pathogens remains unknown. To investigate the role of S1PR3 in antibacterial immunity during sepsis. Loss- and gain-of-function experiments were performed using cell and murine models. S1PR3 levels were determined in patients with sepsis and healthy volunteers. S1PR3 protein levels were up-regulated in macrophages upon bacterial stimulation. S1pr3 -/- mice showed increased mortality and increased bacterial burden in multiple models of sepsis. The transfer of wild-type bone marrow-derived macrophages rescued S1pr3 -/- mice from lethal sepsis. S1PR3-overexpressing macrophages further ameliorated the mortality rate of sepsis. Loss of S1PR3 led to markedly decreased bacterial killing in macrophages. Enhancing endogenous S1PR3 activity using a peptide agonist potentiated the macrophage bactericidal function and improved survival rates in multiple models of sepsis. Mechanically, the reactive oxygen species levels were decreased and phagosome maturation was delayed in S1pr3 -/- macrophages due to impaired recruitment of vacuolar protein-sorting 34 to the phagosomes. In addition, S1RP3 expression levels were elevated in monocytes from patients with sepsis. Higher levels of monocytic S1PR3 were associated with efficient intracellular bactericidal activity, better immune status, and preferable outcomes. S1PR3 signaling drives bacterial killing and is essential for survival in bacterial sepsis. Interventions targeting S1PR3 signaling could have translational implications for manipulating the innate immune response to combat pathogens.

  13. Alzheimer’s in 3D culture: Challenges and perspectives

    PubMed Central

    D'Avanzo, Carla; Aronson, Jenna; Kim, Young Hye; Choi, Se Hoon; Tanzi, Rudolph E.; Kim, Doo Yeon

    2015-01-01

    Summary Alzheimer’s disease (AD) is the most common cause of dementia, and there is currently no cure. The “β-amyloid cascade hypothesis” of AD is the basis of current understanding of AD pathogenesis and drug discovery. However, no AD models have fully validated this hypothesis. We recently developed a human stem cell culture model of AD by cultivating genetically modified human neural stem cells in a three-dimensional (3D) cell culture system. These cells were able to recapitulate key events of AD pathology including β-amyloid plaques and neurofibrillary tangles. In this review, we will discuss the progress and current limitations of AD mouse models and human stem cell models as well as explore the breakthroughs of 3D cell culture systems. We will also share our perspective on the potential of dish models of neurodegenerative diseases for studying pathogenic cascades and therapeutic drug discovery. PMID:26252541

  14. FIRST RESULTS FROM OPERATIONAL TESTING OF THE U.S. EPA MODELS-3 COMMUNITY MULTISCALE MODEL FOR AIR QUALITY (CMAQ)

    EPA Science Inventory

    The Models 3 / Community Multiscale Model for Air Quality (CMAQ) has been designed for one-atmosphere assessments for multiple pollutants including ozone (O3), particulate matter (PM10, PM2.5), and acid / nutrient deposition. In this paper we report initial results of our evalu...

  15. Methods of using (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid

    DOEpatents

    Silverman, Richard B; Dewey, Stephen L; Miller, Steven

    2015-03-03

    (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid also known as CPP-115 or its pharmaceutically acceptable salts can be used to treat addiction and neurological disorders such as epilepsy without side effects such as visual field defects caused by vigabatrin (Sabril).

  16. Reactivity of Cubane-Type [(OC)(3)MFe(3)S(4)(SR)(3)](3-) Clusters (M = Mo, W): Interconversion with Cuboidal [Fe(3)S(4)](0) Clusters and Electron Transfer.

    PubMed

    Raebiger, James W.; Crawford, Charles A.; Zhou, Jian; Holm, R. H.

    1997-03-12

    The title clusters, several examples of which have been reported earlier, have been prepared by two different methods and subjected to structural and reactivity studies. The compounds (Et(4)N)(3)[(OC)(3)MFe(3)S(4)(Smes)(3)].MeCN (M = Mo/W) are isomorphous and crystallize in monoclinic space group P2(1)/n with a = 13.412(1)/13.297(1) Å, b = 19.0380(1)/18.9376(3) Å, c = 26.4210(1)/26.2949(1) Å, beta = 97.87(1)/97.549(1) degrees, and Z = 4. The clusters contain long M-S (2.62/2.59 Å) and M-Fe (3.22/3.19 Å) bonds, consistent with the reported structure of [(OC)(3)MoFe(3)S(4)(SEt)(3)](3-) (3). Reaction of [(OC)(3)MoFe(3)S(4)(LS(3))](3-) (7) with CO in the presence of NaPF(6) affords cuboidal [Fe(3)S(4)(LS(3))](3-) (9), also prepared in this laboratory by another route as a synthetic analogue of protein-bound [Fe(3)S(4)](0) clusters. The clusters [Fe(3)S(4)(SR)(3)](3-) (R = mes, Et), of limited stability, were generated by the same reaction. Treatment of 9 with [M(CO)(3)(MeCN)(3)] affords 7 and its M = W analogue. The clusters [(OC)(3)MFe(3)S(4)(SR)(3)](3-) form a four-member electron transfer series in which the 3- cluster can be once reduced (4-) and twice oxidized (2-, 1-) to afford clusters of the indicated charges. The correct assignment of redox couple to potential in the redox series of six clusters is presented, correcting an earlier misassignment of the redox series of 3. Carbonyl stretching frequencies are shown to be sensitive to cluster oxidation state, showing that the M sites and Fe(3)S(4) fragments are electronically coupled despite the long bond distances. (LS(3) = 1,3,5-tris((4,6-dimethyl-3-mercaptophenyl)thio)-2,4,6-tris(p-tolylthio)benzenate(3-); mes = mesityl.)

  17. AdSS(5) mirror model as a string sigma model.

    PubMed

    Arutyunov, Gleb; van Tongeren, Stijn J

    2014-12-31

    Doing a double Wick rotation in the world sheet theory of the light cone AdSS(5) superstring results in an inequivalent, so-called mirror theory that plays a central role in the field of integrability in the AdS-CFT correspondence. We show that this mirror theory can be interpreted as the light cone theory of a free string on a different background. This background is related to dS5×H(5) by a double T-duality, and has hidden supersymmetry. The geometry can also be extracted from an integrable deformation of the AdSS(5) sigma model, and we prove the observed mirror duality of these deformed models at the bosonic level as a byproduct. While we focus on AdSS(5), our results apply more generally.

  18. Effect of Zb states on ϒ (3 S )→ϒ (1 S )π π decays

    NASA Astrophysics Data System (ADS)

    Chen, Yun-Hua; Daub, Johanna T.; Guo, Feng-Kun; Kubis, Bastian; Meißner, Ulf-G.; Zou, Bing-Song

    2016-02-01

    Within the framework of dispersion theory, we analyze the dipion transitions between the lightest ϒ states, ϒ (n S )→ϒ (m S )π π with m 3 . In particular, we consider the possible effects of two intermediate bottomoniumlike exotic states Zb(10610 ) and Zb(10650 ). The π π rescattering effects are taken into account in a model-independent way using dispersion theory. We confirm that matching the dispersive representation to the leading chiral amplitude alone cannot reproduce the peculiar two-peak π π mass spectrum of the decay ϒ (3 S )→ϒ (1 S )π π . The existence of the bottomoniumlike Zb states can naturally explain this anomaly. We also point out the necessity of a proper extraction of the coupling strengths for the Zb states to ϒ (n S )π , which is only possible if a Flatté-like parametrization is used in the data analysis for the Zb states.

  19. sdg boson model in the SU(3) scheme

    NASA Astrophysics Data System (ADS)

    Akiyama, Yoshimi

    1985-02-01

    Basic properties of the interacting boson model with s-, d- and g-bosons are investigated in rotational nuclei. An SU(3)-seniority scheme is found for the classification of physically important states according to a group reduction chain U(15) ⊃ SU(3). The capability of describing rotational bands increases enormously in comparison with the ordinary sd interacting boson model. The sdg boson model is shown to be able to describe the so-called anharmonicity effect recently observed in the 168Er nucleus.

  20. 3-D Model of the Human Respiratory System

    EPA Science Inventory

    The U.S. EPA’s Office of Research and Development (ORD) has developed a 3-D computational fluid dynamics (CFD) model of the human respiratory system that allows for the simulation of particulate based contaminant deposition and clearance, while being adaptable for age, ethnicity,...

  1. AsS-Tl/sub 3/AsS/sub 4/ and AsS-Tl/sub 2/S systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vorob'ev, Yu.I.; Velikova, N.G.; Kirilenko, V.V.

    1987-11-01

    Using DTA and XPA as well as microstructural analysis and microhardness measurements, the AsS-Tl/sub 3/AsS/sub 4/ and AsS-Tl/sub 2/S phase diagrams are studied. Two new ternary compounds, Tl/sub 2/As/sub 3/S/sub 4/ and Tl/sub 2/As/sub 2/S/sub 3/, are revealed and their interplanar distances are calculated.

  2. Near-thermal reactions of Au(+)(1S,3D) with CH3X (X = F,Cl).

    PubMed

    Taylor, William S; Matthews, Cullen C; Hicks, Ashley J; Fancher, Kendall G; Chen, Li Chen

    2012-01-26

    Reactions of Au(+)((1)S) and Au(+)((3)D) with CH(3)F and CH(3)Cl have been carried out in a drift cell in He at a pressure of 3.5 Torr at both room temperature and reduced temperatures in order to explore the influence of the electronic state of the metal on reaction outcomes. State-specific product channels and overall two-body rate constants were identified using electronic state chromatography. These results indicate that Au(+)((1)S) reacts to yield an association product in addition to AuCH(2)(+) in parallel steps with both neutrals. Product distributions for association vs HX elimination were determined to be 79% association/21% HX elimination for X = F and 50% association/50% HX elimination when X = Cl. Reaction of Au(+)((3)D) with CH(3)F also results in HF elimination, which in this case is thought to produce (3)AuCH(2)(+). With CH(3)Cl, Au(+)((3)D) reacts to form AuCH(3)(+) and CH(3)Cl(+) in parallel steps. An additional product channel initiated by Au(+)((3)D) is also observed with both methyl halides, which yields CH(2)X(+) as a higher-order product. Kinetic measurements indicate that the reaction efficiency for both Au(+) states is significantly greater with CH(3)Cl than with CH(3)F. The observed two-body rate constant for depletion of Au(+)((1)S) by CH(3)F represents less than 5% of the limiting rate constant predicted by the average dipole orientation model (ADO) at room temperature and 226 K, whereas CH(3)Cl reacts with Au(+)((1)S) at the ADO limit at both room temperature and 218 K. Rate constants for depletion of Au(+)((3)D) by CH(3)F and CH(3)Cl were measured at 226 and 218 K respectively, and indicate that Au(+)((3)D) is consumed at approximately 2% of the ADO limit by CH(3)F and 69% of the ADO limit by CH(3)Cl. Product formation and overall efficiency for all four reactions are consistent with previous experimental results and available theoretical models.

  3. Dielectron widths of the Gamma(1S,2S,3S) resonances.

    PubMed

    Rosner, J L; Adam, N E; Alexander, J P; Berkelman, K; Cassel, D G; Duboscq, J E; Ecklund, K M; Ehrlich, R; Fields, L; Galik, R S; Gibbons, L; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Mahlke-Krüger, H; Meyer, T O; Onyisi, P U E; Patterson, J R; Peterson, D; Phillips, E A; Pivarski, J; Riley, D; Ryd, A; Sadoff, A J; Schwarthoff, H; Shi, X; Stroiney, S; Sun, W M; Wilksen, T; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Patel, R; Potlia, V; Stoeck, H; Yelton, J; Rubin, P; Cawlfield, C; Eisenstein, B I; Karliner, I; Kim, D; Lowrey, N; Naik, P; Sedlack, C; Selen, M; White, E J; Wiss, J; Shepherd, M R; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Gong, D T; Hietala, J; Kubota, Y; Klein, T; Lang, B W; Poling, R; Scott, A W; Smith, A; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Arms, K; Severini, H; Dytman, S A; Love, W; Mehrabyan, S; Savinov, V; Aquines, O; Li, Z; Lopez, A; Mendez, H; Ramirez, J; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shipsey, I P J; Xin, B; Adams, G S; Anderson, M; Cummings, J P; Danko, I; Napolitano, J; He, Q; Insler, J; Muramatsu, H; Park, C S; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Stroynowski, R; Artuso, M; Blusk, S; Butt, J; Li, J; Menaa, N; Mountain, R; Nisar, S; Randrianarivony, K; Redjimi, R; Sia, R; Skwarnicki, T; Stone, S; Wang, J C; Zhang, K; Csorna, S E; Bonvicini, G; Cinabro, D; Dubrovin, M; Lincoln, A; Asner, D M; Edwards, K W; Briere, R A; Chen, J; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E

    2006-03-10

    We determine the dielectron widths of the Gamma(1S), Gamma(2S), and Gamma(3S) resonances with better than 2% precision by integrating the cross section of e+e- -->Gamma over the e+e- center-of-mass energy. Using e+e- energy scans of the Gamma resonances at the Cornell Electron Storage Ring and measuring Gamma production with the CLEO detector, we find dielectron widths of 1.252+/-0.004(sigma(stat))+/-0.019(sigma(syst)) keV, 0.581+/-0.004+/-0.009 keV, and 0.413+/-0.004+/-0.006 keV for the Gamma(1S), Gamma(2S), and Gamma(3S), respectively.

  4. Precision Laser Spectroscopic Measurement of Helium -4(1S2S S(3) to 1S2P P(3)) Lamb Shift and Fine Structure

    NASA Astrophysics Data System (ADS)

    Dixson, Ronald Gene

    This thesis is a presentation of the results of a precise measurement of the absolute wavelength and fine structure splitting of the 1s2s ^3S to 1s2p ^3P transition of the ^4He atom. The experiment described in this thesis is the first one in which laser spectroscopy has been done on the 2 ^3S to 2^3 P transition in a metastable atomic beam. The energy interval between the 2^3S and the 2^3P state is precisely determined by comparison of the absolute wavelength of the transition with our standard laser (an iodine stabilized He-Ne laser with an accuracy of 1.6 parts in 10^{10 }) in a Fabry-Perot interferometer. The experimental Lamb shift of the transition is determined by subtracting from the measured frequency the precisely known non-quantum electrodynamic contributions to the theoretical value of the interval. From our measurements of the absolute wavelength, the following weighted (2J + 1) average for the 2^3S to 2^3P transition frequency and experimental Lamb Shift are obtained:eqalign{& rm f_{2S{-}2P} = 276 736 495.59 (5) rm MHz.cr& {bf L}[ 2^3Sto2 ^3P] = 5311.26 (5) rm MHz.cr} Our value for the Lamb Shift is in agreement with the best previous measurement but a factor of 60 more precise. It is also two orders of magnitude more precise than the present theoretical calculation, presenting quite a challenge to theorists. Nevertheless, this work is very timely since it is anticipated (DRA94) (MOR94) that the theory will reach this level in the near future. The measured fine structure splittings of the 2^3P level are: eqalign{rm 2^3P_0to rm2^3P_2 &: 31908.135 (3) rm MHzcrrm 2^3P_1to rm2^3P_2 &: sk{5}2291.173 (3) rm MHz}These results are more precise than previous microwave measurements and in significant disagreement with them, a situation which is especially timely and interesting since new theoretical calculations of these fine structure intervals (DRA94) at this level of precision are nearing completion.

  5. Warped AdS3 black holes

    NASA Astrophysics Data System (ADS)

    Song, Wei; Anninos, Dionysios; Li, Wei; Padi, Megha; Strominger, Andrew

    2009-03-01

    Three dimensional topologically massive gravity (TMG) with a negative cosmological constant -ell-2 and positive Newton constant G admits an AdS3 vacuum solution for any value of the graviton mass μ. These are all known to be perturbatively unstable except at the recently explored chiral point μell = 1. However we show herein that for every value of μell ≠ 3 there are two other (potentially stable) vacuum solutions given by SL(2,Bbb R) × U(1)-invariant warped AdS3 geometries, with a timelike or spacelike U(1) isometry. Critical behavior occurs at μell = 3, where the warping transitions from a stretching to a squashing, and there are a pair of warped solutions with a null U(1) isometry. For μell > 3, there are known warped black hole solutions which are asymptotic to warped AdS3. We show that these black holes are discrete quotients of warped AdS3 just as BTZ black holes are discrete quotients of ordinary AdS3. Moreover new solutions of this type, relevant to any theory with warped AdS3 solutions, are exhibited. Finally we note that the black hole thermodynamics is consistent with the hypothesis that, for μell > 3, the warped AdS3 ground state of TMG is holographically dual to a 2D boundary CFT with central charges c_R-formula and c_L-formula.

  6. Warped AdS3 black holes

    NASA Astrophysics Data System (ADS)

    Anninos, Dionysios; Li, Wei; Padi, Megha; Song, Wei; Strominger, Andrew

    2009-03-01

    Three dimensional topologically massive gravity (TMG) with a negative cosmological constant -l-2 and positive Newton constant G admits an AdS3 vacuum solution for any value of the graviton mass μ. These are all known to be perturbatively unstable except at the recently explored chiral point μl = 1. However we show herein that for every value of μl ≠ 3 there are two other (potentially stable) vacuum solutions given by SL(2,Bbb R) × U(1)-invariant warped AdS3 geometries, with a timelike or spacelike U(1) isometry. Critical behavior occurs at μl = 3, where the warping transitions from a stretching to a squashing, and there are a pair of warped solutions with a null U(1) isometry. For μl > 3, there are known warped black hole solutions which are asymptotic to warped AdS3. We show that these black holes are discrete quotients of warped AdS3 just as BTZ black holes are discrete quotients of ordinary AdS3. Moreover new solutions of this type, relevant to any theory with warped AdS3 solutions, are exhibited. Finally we note that the black hole thermodynamics is consistent with the hypothesis that, for μl > 3, the warped AdS3 ground state of TMG is holographically dual to a 2D boundary CFT with central charges c_R-formula and c_L-formula.

  7. Reassessing Geophysical Models of the Bushveld Complex in 3D

    NASA Astrophysics Data System (ADS)

    Cole, J.; Webb, S. J.; Finn, C.

    2012-12-01

    Conceptual geophysical models of the Bushveld Igneous Complex show three possible geometries for its mafic component: 1) Separate intrusions with vertical feeders for the eastern and western lobes (Cousins, 1959) 2) Separate dipping sheets for the two lobes (Du Plessis and Kleywegt, 1987) 3) A single saucer-shaped unit connected at depth in the central part between the two lobes (Cawthorn et al, 1998) Model three incorporates isostatic adjustment of the crust in response to the weight of the dense mafic material. The model was corroborated by results of a broadband seismic array over southern Africa, known as the Southern African Seismic Experiment (SASE) (Nguuri, et al, 2001; Webb et al, 2004). This new information about the crustal thickness only became available in the last decade and could not be considered in the earlier models. Nevertheless, there is still on-going debate as to which model is correct. All of the models published up to now have been done in 2 or 2.5 dimensions. This is not well suited to modelling the complex geometry of the Bushveld intrusion. 3D modelling takes into account effects of variations in geometry and geophysical properties of lithologies in a full three dimensional sense and therefore affects the shape and amplitude of calculated fields. The main question is how the new knowledge of the increased crustal thickness, as well as the complexity of the Bushveld Complex, will impact on the gravity fields calculated for the existing conceptual models, when modelling in 3D. The three published geophysical models were remodelled using full 3Dl potential field modelling software, and including crustal thickness obtained from the SASE. The aim was not to construct very detailed models, but to test the existing conceptual models in an equally conceptual way. Firstly a specific 2D model was recreated in 3D, without crustal thickening, to establish the difference between 2D and 3D results. Then the thicker crust was added. Including the less

  8. Helicopter noise measurements data report. volume II. helicopter models: Bell 212 (UH-1N), Sikorsky S-61 (SH-3A), Sikorsky S-64 'Skycrane' (CH- 54B), Boeing Vertol 'Chinook' (CH-47C)

    DOT National Transportation Integrated Search

    1977-04-01

    The helicopter models used in this test program were the Hughes 300C, Hughes 500C, Bell 47-G, Bell 206-L, Bell 212 (UH-1N), Sikorsky S-61 (SH-3A), Sikorsky S-64 'Skycrane' (CH-54B), and Boeing Vertol 'Chinook' CH-47C. Volume I contains the measured n...

  9. Silver-Doping Effects and Photostructural Transformation in Evaporated AS2S3 Thin Films.

    DTIC Science & Technology

    1982-02-16

    ELECTROCHEMICAL STUDT OF THE SILVER INJECTION INTO As2S3 FILMS IN THE DARK . . . . . . . . . . . . . . . 143 5.1 Voltametry Studies of The As2S3...experimental results. The modeling and analysis of experimental data will be given in the subsequent sections. 5.1 VOLTAMETRY STUDIES OF THE As S3 FILMS...and forth between -100 mv and +20 mv at a sweep rate of 2 mv/sec several times until a stable surface was reached. First the As2S3 electrode was

  10. Accuracy limit of rigid 3-point water models

    NASA Astrophysics Data System (ADS)

    Izadi, Saeed; Onufriev, Alexey V.

    2016-08-01

    Classical 3-point rigid water models are most widely used due to their computational efficiency. Recently, we introduced a new approach to constructing classical rigid water models [S. Izadi et al., J. Phys. Chem. Lett. 5, 3863 (2014)], which permits a virtually exhaustive search for globally optimal model parameters in the sub-space that is most relevant to the electrostatic properties of the water molecule in liquid phase. Here we apply the approach to develop a 3-point Optimal Point Charge (OPC3) water model. OPC3 is significantly more accurate than the commonly used water models of same class (TIP3P and SPCE) in reproducing a comprehensive set of liquid bulk properties, over a wide range of temperatures. Beyond bulk properties, we show that OPC3 predicts the intrinsic charge hydration asymmetry (CHA) of water — a characteristic dependence of hydration free energy on the sign of the solute charge — in very close agreement with experiment. Two other recent 3-point rigid water models, TIP3PFB and H2ODC, each developed by its own, completely different optimization method, approach the global accuracy optimum represented by OPC3 in both the parameter space and accuracy of bulk properties. Thus, we argue that an accuracy limit of practical 3-point rigid non-polarizable models has effectively been reached; remaining accuracy issues are discussed.

  11. Wittichenite Cu3BiS3: Synthesis and Physical Properties

    NASA Astrophysics Data System (ADS)

    Wei, Kaya; Hobbis, Dean; Wang, Hsin; Nolas, George S.

    2018-04-01

    Polycrystalline Cu3BiS3 was synthesized and densified using hot pressing in order to investigate the physical properties of this material. Both the thermal conductivity and the Seebeck coefficient of Cu3BiS3 are reported for the first time in order to investigate the thermoelectric properties of this material. The ultralow thermal conductivity coupled with the relatively high Seebeck coefficient, 0.17 W/m-K and 540 μV/K at room temperature, respectively, suggest Cu3BiS3 may show promise for thermoelectric applications.

  12. Wittichenite Cu3BiS3: Synthesis and Physical Properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wei, Kaya; Hobbis, Dean; Wang, Hsin

    Polycrystalline Cu 3BiS 3 was synthesized and densified using hot pressing in order to investigate the physical properties of this material. Both the thermal conductivity and the Seebeck coefficient of Cu 3BiS 3 are reported for the first time in order to investigate the thermoelectric properties of this material. The ultralow thermal conductivity coupled with the relatively high Seebeck coefficient, 0.17 W/m-K and 540 μV/K at room temperature, respectively, suggest Cu 3BiS 3 may show promise for thermoelectric applications.

  13. Wittichenite Cu3BiS3: Synthesis and Physical Properties

    DOE PAGES

    Wei, Kaya; Hobbis, Dean; Wang, Hsin; ...

    2018-01-18

    Polycrystalline Cu 3BiS 3 was synthesized and densified using hot pressing in order to investigate the physical properties of this material. Both the thermal conductivity and the Seebeck coefficient of Cu 3BiS 3 are reported for the first time in order to investigate the thermoelectric properties of this material. The ultralow thermal conductivity coupled with the relatively high Seebeck coefficient, 0.17 W/m-K and 540 μV/K at room temperature, respectively, suggest Cu 3BiS 3 may show promise for thermoelectric applications.

  14. Dissimilar effect of perming and bleaching treatments on cuticles: advanced hair damage model based on elution and oxidation of S100A3 protein.

    PubMed

    Kizawa, Kenji; Inoue, Takafumi; Yamaguchi, Masahito; Kleinert, Peter; Troxler, Heinz; Heizmann, Claus W; Iwamoto, Yoshimichi

    2005-01-01

    Hair treatment chemicals induce sudden and severe hair damage. In this study, we examined cuticles from untreated, permed, and bleached hair that were mechanically discriminated by shaking in water. Both perming and bleaching treatments are prone to easily delaminate cuticles. Confocal microscopy revealed that the cuticles of permed hair were delaminated with larger pieces than untreated ones. On the other hand, the cuticles of bleached hair tend to fragment into small peptides. At the minimum concentration of thioglycolate required to elute S100A3 protein from the endocuticle into the reductive permanent waving lotion, enlarged delaminated cuticle fragments were observed. Although S100A3 is retained in bleached hair, S100A3 is irreversibly oxidized upon bleaching treatment. It is likely that the oxidative cleavage of disulfide bonds between cuticle-constituting proteins, including S100A3, results in the fragile property of cuticles. Here we present a more comprehensive model of hair damage based on a diverse mechanism of cuticle delamination.

  15. Na 3Cr 2P 3S 12 and K 3Cr 2P 3S 12: Two New One-Dimensional Thiophosphate Compounds with a Novel Structure

    NASA Astrophysics Data System (ADS)

    Coste, S.; Kopnin, E.; Evain, M.; Jobic, S.; Payen, C.; Brec, R.

    2001-12-01

    Two new alkali metal chromium thiophosphates, Na3Cr2P3S12 and K3Cr2P3S12, have been synthesized and their structure determined from single-crystal or powder X-ray diffraction analyses. These isostructural compounds, which exhibit a novel structural arrangement, crystallize in the monoclinic system (space group P21/c) with the cell parameters a=17.4076(10) Å, b=11.1723(10) Å, c=19.2502(11) Å, β=149.731(3)° (V=1887.1(2) Å3, Z=4) and a=17.9690(14) Å, b=12.0607(5) Å, c=19.3109(16) Å, β=150.008(3)° (V=2091.98(16) Å3, Z=4) for Na3Cr2P3S12 (I) and K3Cr2P3S12 (II), respectively. For (I), the single-crystal refinement led to R/Rw(F2)=0.0417/0.0650 (for 4125 independent reflections and 182 refined parameters). For (II), the Rietveld refinement led to Rp/Rwp=0.0181/0.0233 (for 90 refined parameters). In both materials, the structures consist of 1∞[Cr2P3S12]3- chains built upon two edge-sharing [CrS6] octahedra capped by two [PS4] tetrahedra defining isolated [Cr2P2S12]-8 entities. These entities are linked to each other through an extra [PS4] tetrahedral group. Magnetic measurements evidence antiferromagnetic coupling between Cr3+ cations. The charge balance of the phase is MI3CrIII2PV3S-II12.

  16. High resolution model mesh and 3D printing of the Gaudí’s Porta del Drac

    NASA Astrophysics Data System (ADS)

    Corso, Juan; Garcia-Almirall, Pilar; Marco, Adria

    2017-10-01

    internal structure between elements of the parts of the Drac that are partially hidden and therefore cannot be recorded. Secondly, we expose the procedures performed to move from a point cloud to an optimal high-resolution mesh to be printed in 3D, adapting it to all the limitations that this printing technique entails. On the one hand, for the meshing process, a previous classification of the point cloud by pieces (wings, chains, mosaics, head …) is made and an internal structure is re-assembled to avoid floating parts. On the other hand, the selection of the 3D printing technique, in this case FDM (Fused Deposition Modelling), limits the size of the model so it needs to be cut by determined maximum dimension, and also it limits the minimum thickness of the model’s surface, that is to say, the model cannot be directly scaled to the desired size because the 2mm surfaces would be too thin to be printed. This research intends to advance the knowledge of data acquisition, optimization, modelling and 3D printing, with a case study of great complexity. A process that can be systematized and applied to other models.

  17. Elastic Properties of 3D-Printed Rock Models: Dry and Saturated Cracks

    NASA Astrophysics Data System (ADS)

    Huang, L.; Stewart, R.; Dyaur, N.

    2014-12-01

    Many regions of subsurface interest are, or will be, fractured. In addition, these zones many be subject to varying saturations and stresses. New 3D printing techniques using different materials and structures, provide opportunities to understand porous or fractured materials and fluid effects on their elastic properties. We use a 3D printer (Stratasys Dimension SST 768) to print two rock models: a solid octahedral prism and a porous cube with thousands of penny-shaped cracks. The printing material is ABS thermal plastic with a density of 1.04 g/cm3. After printing, we measure the elastic properties of the models, both dry and 100% saturated with water. Both models exhibit VTI (Vertical Transverse Isotropic) symmetry due to laying (about 0.25 mm thick) of the printing process. The prism has a density of 0.96 g/cm3 before saturation and 1.00 g/cm3 after saturation. Its effective porosity is calculated to be 4 %. We use ultrasonic transducers (500 kHz) to measure both P- and shear-wave velocities, and the raw material has a P-wave velocity of 1.89 km/s and a shear-wave velocity of 0.91 km/s. P-wave velocity in the un-saturated prism increases from 1.81 km/s to 1.84 km/s after saturation in the direction parallel to layering and from 1.73 km/s to 1.81 km/s in the direction perpendicular to layering. The fast shear-wave velocity decreases from 0.88 km/s to 0.87 km/s and the slow shear-wave velocity decreases from 0.82 km/s to 0.81 km/s. The cube, printed with penny-shaped cracks, gives a density of 0.79 g/cm3 and a porosity of 24 %. We measure its P-wave velocity as 1.78 km/s and 1.68 km/s in the direction parallel and perpendicular to the layering, respectively. Its fast shear-wave velocity is 0.88 km/s and slow shear-wave velocity is 0.70 km/s. The penny-shaped cracks have significant influence on the elastic properties of the 3D-printed rock models. To better understand and explain the fluid effects on the elastic properties of the models, we apply the extended

  18. RL10A-3-3A Rocket Engine Modeling Project

    NASA Technical Reports Server (NTRS)

    Binder, Michael; Tomsik, Thomas; Veres, Joseph P.

    1997-01-01

    Two RL10A-3-3A rocket engines comprise the main propulsion system for the Centaur upper stage vehicle. Centaur is used with bod Titan and Atlas launch vehicles, carrying military and civilian payloads from high altitudes into orbit and beyond. The RL10 has delivered highly reliable service for the past 30 years. Recently, however, there have been two in-flight failures which have refocused attention on the RL10. This heightened interest has sparked a desire for an independent RL10 modeling capability within NASA and th Air Force. Pratt & Whitney, which presently has the most detailed model of the RL10, also sees merit in having an independent model which could be used as a cross-check with their own simulations. The Space Propulsion Technology Division (SPTD) at the NASA Lewis Research Center has developed a computer model of the RL10A-3-3A. A project team was formed, consisting of experts in the areas of turbomachinery, combustion, and heat transfer. The overall goal of the project was to provide a model of the entire RL10 rocket engine for government use. In the course of the project, the major engine components have been modeled using a combination of simple correlations and detailed component analysis tools (computer codes). The results of these component analyses were verified with data provided by Pratt & Whitney. Select modeling results and test data curves were then integrated to form the RL10 engine system model The purpose of this report is to introduce the reader to the RL10 rocket engine and to describe the engine system model. The RL10 engine and its application to U.S. launch vehicles are described first, followed by a summary of the SPTD project organization, goals, and accomplishments. Simulated output from the system model are shown in comparison with test and flight data for start transient, steady state, and shut-down transient operations. Detailed descriptions of all component analyses, including those not selected for integration with the

  19. Geopotential models of the Earth from satellite tracking, altimeter and surface gravity observations: GEM-T3 and GEM-T3S

    NASA Technical Reports Server (NTRS)

    Lerch, F. J.; Nerem, R. S.; Putney, B. H.; Felsentreger, T. L.; Sanchez, B. V.; Klosko, S. M.; Patel, G. B.; Williamson, R. G.; Chinn, D. S.; Chan, J. C.

    1992-01-01

    Improved models of the Earth's gravitational field have been developed from conventional tracking data and from a combination of satellite tracking, satellite altimeter and surface gravimetric data. This combination model represents a significant improvement in the modeling of the gravity field at half-wavelengths of 300 km and longer. Both models are complete to degree and order 50. The Goddard Earth Model-T3 (GEM-T3) provides more accurate computation of satellite orbital effects as well as giving superior geoidal representation from that achieved in any previous GEM. A description of the models, their development and an assessment of their accuracy is presented. The GEM-T3 model used altimeter data from previous satellite missions in estimating the orbits, geoid, and dynamic height fields. Other satellite tracking data are largely the same as was used to develop GEM-T2, but contain certain important improvements in data treatment and expanded laser tracking coverage. Over 1300 arcs of tracking data from 31 different satellites have been used in the solution. Reliable estimates of the model uncertainties via error calibration and optimal data weighting techniques are discussed.

  20. The Distributed Lambda (?) Model (DLM): A 3-D, Finite-Element Muscle Model Based on Feldman's ? Model; Assessment of Orofacial Gestures

    ERIC Educational Resources Information Center

    Nazari, Mohammad Ali; Perrier, Pascal; Payan, Yohan

    2013-01-01

    Purpose: The authors aimed to design a distributed lambda model (DLM), which is well adapted to implement three-dimensional (3-D), finite-element descriptions of muscles. Method: A muscle element model was designed. Its stress-strain relationships included the active force-length characteristics of the ? model along the muscle fibers, together…

  1. The Sentinel-3 Surface Topography Mission (S-3 STM): Level 2 SAR Ocean Retracker

    NASA Astrophysics Data System (ADS)

    Dinardo, S.; Lucas, B.; Benveniste, J.

    2015-12-01

    The SRAL Radar Altimeter, on board of the ESA Mission Sentinel-3 (S-3), has the capacity to operate either in the Pulse-Limited Mode (also known as LRM) or in the novel Synthetic Aperture Radar (SAR) mode. Thanks to the initial results from SAR Altimetry obtained exploiting CryoSat-2 data, lately the interest by the scientific community in this new technology has significantly increased and consequently the definition of accurate processing methodologies (along with validation strategies) has now assumed a capital importance. In this paper, we present the algorithm proposed to retrieve from S-3 STM SAR return waveforms the standard ocean geophysical parameters (ocean topography, wave height and sigma nought) and the validation results that have been so far achieved exploiting the CryoSat-2 data as well as the simulated data. The inversion method (retracking) to extract from the return waveform the geophysical information is a curve best-fitting scheme based on the bounded Levenberg-Marquardt Least-Squares Estimation Method (LEVMAR-LSE). The S-3 STM SAR Ocean retracking algorithm adopts, as return waveform’s model, the “SAMOSA” model [Ray et al, 2014], named after the R&D project SAMOSA (led by Satoc and funded by ESA), in which it has been initially developed. The SAMOSA model is a physically-based model that offers a complete description of a SAR Altimeter return waveform from ocean surface, expressed in the form of maps of reflected power in Delay-Doppler space (also known as stack) or expressed as multilooked echoes. SAMOSA is able to account for an elliptical antenna pattern, mispointing errors in roll and yaw, surface scattering pattern, non-linear ocean wave statistics and spherical Earth surface effects. In spite of its truly comprehensive character, the SAMOSA model comes with a compact analytical formulation expressed in term of Modified Bessel functions. The specifications of the retracking algorithm have been gathered in a technical document (DPM

  2. Investigation of surface wave amplitudes in 3-D velocity and 3-D Q models

    NASA Astrophysics Data System (ADS)

    Ruan, Y.; Zhou, Y.

    2010-12-01

    It has been long recognized that seismic amplitudes depend on both wave speed structures and anelasticity (Q) structures. However, the effects of lateral heterogeneities in wave speed and Q structures on seismic amplitudes has not been well understood. We investigate the effects of 3-D wave speed and 3-D anelasticity (Q) structures on surface-wave amplitudes based upon wave propagation simulations of twelve globally-distributed earthquakes and 801 stations in Earth models with and without lateral heterogeneities in wave speed and anelasticity using a Spectral Element Method (SEM). Our tomographic-like 3-D Q models are converted from a velocity model S20RTS using a set of reasonable mineralogical parameters, assuming lateral perturbations in both velocity and Q are due to temperature perturbations. Surface-wave amplitude variations of SEM seismograms are measured in the period range of 50--200 s using boxcar taper, cosine taper and Slepian multi-tapers. We calculate ray-theoretical predictions of surface-wave amplitude perturbations due to elastic focusing, attenuation, and anelastic focusing which respectively depend upon the second spatial derivative (''roughness'') of perturbations in phase velocity, 1/Q, and the roughness of perturbations in 1/Q. Both numerical experiments and theoretical calculations show that (1) for short-period (~ 50 s) surface waves, the effects of amplitude attenuation due to 3-D Q structures are comparable with elastic focusing effects due to 3-D wave speed structures; and (2) for long-period (> 100 s) surface waves, the effects of attenuation become much weaker than elastic focusing; and (3) elastic focusing effects are correlated with anelastic focusing at all periods due to the correlation between velocity and Q models; and (4) amplitude perturbations are depend on measurement techniques and therefore cannot be directly compared with ray-theoretical predictions because ray theory does not account for the effects of measurement

  3. Providing QoS guarantee in 3G wireless networks

    NASA Astrophysics Data System (ADS)

    Chuah, MooiChoo; Huang, Min; Kumar, Suresh

    2001-07-01

    The third generation networks and services present opportunities to offer multimedia applications and services that meet end-to-end quality of service requirements. In this article, we present UMTS QoS architecture and its requirements. This includes the definition of QoS parameters, traffic classes, the end-to-end data delivery model, and the mapping of end-to-end services to the services provided by the network elements of the UMTS. End-to-end QoS of a user flow is achieved by the combination of the QoS control over UMTS Domain and the IP core Network. In the Third Generation Wireless network, UMTS bearer service manager is responsible to manage radio and transport resources to QoS-enabled applications. The UMTS bearer service consists of the Radio Access Bearer Service between Mobile Terminal and SGSN and Core Network bearer service between SGSN and GGSN. The Radio Access Bearer Service is further realized by the Radio Bearer Service (mostly air interface) and Iu bearer service. For the 3G air interface, one can provide differentiated QoS via intelligent burst allocation scheme, adaptive spreading factor control and weighted fair queueing scheduling algorithms. Next, we discuss the requirements for the transport technologies in the radio access network to provide differentiated QoS to multiple classes of traffic. We discuss both ATM based and IP based transport solutions. Last but not least, we discuss how QoS mechanism is provided in the core network to ensure e2e quality of service requirements. We discuss how mobile terminals that use RSVP as QoS signaling mechanisms can be are supported in the 3G network which may implement only IETF diffserv mechanism. . We discuss how one can map UMTS QoS classes with IETF diffserv code points. We also discuss 2G/3G handover scenarios and how the 2G/3G QoS parameters can be mapped.

  4. CheS-Mapper 2.0 for visual validation of (Q)SAR models

    PubMed Central

    2014-01-01

    Background Sound statistical validation is important to evaluate and compare the overall performance of (Q)SAR models. However, classical validation does not support the user in better understanding the properties of the model or the underlying data. Even though, a number of visualization tools for analyzing (Q)SAR information in small molecule datasets exist, integrated visualization methods that allow the investigation of model validation results are still lacking. Results We propose visual validation, as an approach for the graphical inspection of (Q)SAR model validation results. The approach applies the 3D viewer CheS-Mapper, an open-source application for the exploration of small molecules in virtual 3D space. The present work describes the new functionalities in CheS-Mapper 2.0, that facilitate the analysis of (Q)SAR information and allows the visual validation of (Q)SAR models. The tool enables the comparison of model predictions to the actual activity in feature space. The approach is generic: It is model-independent and can handle physico-chemical and structural input features as well as quantitative and qualitative endpoints. Conclusions Visual validation with CheS-Mapper enables analyzing (Q)SAR information in the data and indicates how this information is employed by the (Q)SAR model. It reveals, if the endpoint is modeled too specific or too generic and highlights common properties of misclassified compounds. Moreover, the researcher can use CheS-Mapper to inspect how the (Q)SAR model predicts activity cliffs. The CheS-Mapper software is freely available at http://ches-mapper.org. Graphical abstract Comparing actual and predicted activity values with CheS-Mapper.

  5. Illustrative visualization of 3D city models

    NASA Astrophysics Data System (ADS)

    Doellner, Juergen; Buchholz, Henrik; Nienhaus, Marc; Kirsch, Florian

    2005-03-01

    This paper presents an illustrative visualization technique that provides expressive representations of large-scale 3D city models, inspired by the tradition of artistic and cartographic visualizations typically found in bird"s-eye view and panoramic maps. We define a collection of city model components and a real-time multi-pass rendering algorithm that achieves comprehensible, abstract 3D city model depictions based on edge enhancement, color-based and shadow-based depth cues, and procedural facade texturing. Illustrative visualization provides an effective visual interface to urban spatial information and associated thematic information complementing visual interfaces based on the Virtual Reality paradigm, offering a huge potential for graphics design. Primary application areas include city and landscape planning, cartoon worlds in computer games, and tourist information systems.

  6. ONE-ATMOSPHERE DYNAMICS DESCRIPTION IN THE MODELS-3 COMMUNITY MULTI-SCALE QUALITY (CMAQ) MODELING SYSTEM

    EPA Science Inventory

    This paper proposes a general procedure to link meteorological data with air quality models, such as U.S. EPA's Models-3 Community Multi-scale Air Quality (CMAQ) modeling system. CMAQ is intended to be used for studying multi-scale (urban and regional) and multi-pollutant (ozon...

  7. Segmented strings in AdS 3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Callebaut, Nele; Gubser, Steven S.; Samberg, Andreas

    We study segmented strings in flat space and in AdS 3. In flat space, these well known classical motions describe strings which at any instant of time are piecewise linear. In AdS 3, the worldsheet is composed of faces each of which is a region bounded by null geodesics in an AdS 2 subspace of AdS 3. The time evolution can be described by specifying the null geodesic motion of kinks in the string at which two segments are joined. The outcome of collisions of kinks on the worldsheet can be worked out essentially using considerations of causality. We studymore » several examples of closed segmented strings in AdS 3 and find an unexpected quasi-periodic behavior. Here, we also work out a WKB analysis of quantum states of yo-yo strings in AdS 5 and find a logarithmic term reminiscent of the logarithmic twist of string states on the leading Regge trajectory.« less

  8. Segmented strings in AdS 3

    DOE PAGES

    Callebaut, Nele; Gubser, Steven S.; Samberg, Andreas; ...

    2015-11-17

    We study segmented strings in flat space and in AdS 3. In flat space, these well known classical motions describe strings which at any instant of time are piecewise linear. In AdS 3, the worldsheet is composed of faces each of which is a region bounded by null geodesics in an AdS 2 subspace of AdS 3. The time evolution can be described by specifying the null geodesic motion of kinks in the string at which two segments are joined. The outcome of collisions of kinks on the worldsheet can be worked out essentially using considerations of causality. We studymore » several examples of closed segmented strings in AdS 3 and find an unexpected quasi-periodic behavior. Here, we also work out a WKB analysis of quantum states of yo-yo strings in AdS 5 and find a logarithmic term reminiscent of the logarithmic twist of string states on the leading Regge trajectory.« less

  9. Photon transitions in Upsilon(2S) and Upsilon(3S) decays.

    PubMed

    Artuso, M; Boulahouache, C; Blusk, S; Butt, J; Dambasuren, E; Dorjkhaidav, O; Li, J; Menaa, N; Mountain, R; Muramatsu, H; Nandakumar, R; Redjimi, R; Sia, R; Skwarnicki, T; Stone, S; Wang, J C; Zhang, K; Csorna, S E; Bonvicini, G; Cinabro, D; Dubrovin, M; Bornheim, A; Pappas, S P; Weinstein, A J; Rosner, J L; Briere, R A; Chen, G P; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E; Adam, N E; Alexander, J P; Berkelman, K; Cassel, D G; Crede, V; Duboscq, J E; Ecklund, K M; Ehrlich, R; Fields, L; Galik, R S; Gibbons, L; Gittelman, B; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Hsu, L; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Mahlke-Krüger, H; Meyer, T O; Onyisi, P U E; Patterson, J R; Peterson, D; Pivarski, J; Riley, D; Ryd, A; Sadoff, A J; Schwarthoff, H; Shepherd, M R; Stroiney, S; Sun, W M; Thayer, J G; Urner, D; Wilksen, T; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Patel, R; Potlia, V; Stoeck, H; Yelton, J; Rubin, P; Cawlfield, C; Eisenstein, B I; Gollin, G D; Karliner, I; Kim, D; Lowrey, N; Naik, P; Sedlack, C; Selen, M; Thaler, J J; Williams, J; Wiss, J; Edwards, K W; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Gong, D T; Kubota, Y; Lang, B W; Li, S Z; Poling, R; Scott, A W; Smith, A; Stepaniak, C J; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Mahmood, A H; Arms, K; Gan, K K; Severini, H; Asner, D M; Dytman, S A; Love, W; Mehrabyan, S; Mueller, J A; Savinov, V; Li, Z; Lopez, A; Mendez, H; Ramirez, J; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shibata, E I; Shipsey, I P J; Adams, G S; Chasse, M; Cravey, M; Cummings, J P; Danko, I; Napolitano, J; Park, C S; Park, W; Thayer, J B; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Stroynowski, R

    2005-01-28

    We have studied the inclusive photon spectra in Upsilon(2S) and Upsilon(3S) decays using a large statistics data sample obtained with the CLEO III detector. We present the most precise measurements of electric dipole (E1) photon transition rates and photon energies for Upsilon(2S) --> gammachi(bJ)(1P) and Upsilon(3S) --> gammachi(bJ)(2P) (J = 0, 1, 2). We measure the rate for a rare E1 transition Upsilon(3S) --> gammachi(b0)(1P) for the first time. We also set upper limits on the rates for the hindered magnetic dipole (M1) transitions to the eta(b)(1S) and eta(b)(2S) states.

  10. Identification of Potent Virtual Leads Specific to S1' Loop of ADAMTS4: Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Dynamic Studies.

    PubMed

    Suganya, P Rathi; Kalva, Sukesh; Saleena, Lilly M

    2016-01-01

    ADAMTS4 (Aggrecanase-1) is an important enzyme, which belongs to ADAMTS family. Aggrecanase-1 is involved in aggrecan degradation of articular cartilage in osteoarthritis and rheumatoid arthritis. Overall variability of S1' domain of ADAMTS4 has been the main selectivity determinant to design the unique inhibitors. 34 inhibitors from Binding database and literature were used to develop the pharmacophore model. The five featured pharmacophore model AHHRR had the best survival score of 3.493 and post-hoc score of 2.545, indicating that the model is highly reliable. The 3D-QSAR acquired had excellent r(2) value of 0.99 and GH score of 0.839. The validated pharmacophore model was used for insilico screening of Asinex and ZINC database for finding the potential lead compounds. ZINC00987406 and ASN04459656 which pose high glide score i.e >7 Kcal/mol and H-bond and hydrophobic interactions in the S1'loop residues of ADAMTS4 were subjected to Molecular Dynamics Simulation studies. Molecular dynamic simulation result indicates that the RMSD and RMSF of backbone atoms for the above complexes were within the limit of 2.0 A˚. These compounds can be potential candidates for osteoarthritis by inhibiting ADAMTS4.

  11. Structural characterizations of pure SnS and In-doped SnS thin films using isotropic and anisotropic models

    NASA Astrophysics Data System (ADS)

    Kafashan, Hosein

    2018-04-01

    An electrochemical route has been employed to prepare pure SnS and indium-doped SnS thin films. Six samples including undoped SnS and In-doped SnS thin films deposited on the fluorine-doped tin oxide (FTO) glass substrates. An aqueous solution having SnCl2 and Na2S2O3 used as the primary electrolyte. Different In-doped SnS samples were prepared by adding a different amount of 1 mM InCl3 solution into the first electrolyte. The applied potential (E), time of deposition (t), pH and bath temperature (T) were kept at ‑1 V, 30 min, 2.1 and 60 °C, respectively. For all samples, except the In-dopant concentration, all the deposition parameters are the same. After preparation, X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) with an energy dispersive X-ray analyzer (EDX) attachment, atomic force microscopy (AFM), and transmission electron microscopy (TEM) were used to determine structural properties of as-deposited films. XRD patterns revealed that the synthesized undoped- and In-doped SnS thin films were crystallized in the orthorhombic structure. The shape of SnS crystals was spherical in the TEM image. X-ray peak broadening studies was done by applying Scherrer’s method, Williamson-Hall (W–H) models (including uniform deformation model (UDM), uniform strain deformation model (UDSM), and uniform deformation energy density model (UDEDM)), and size-strain plot (SSP) method. Using these techniques, the crystallite size and the lattice strains have been predicted. There was a good agreement in the particle size achieved by W–H- and SSP methods with TEM image.

  12. The role of the S 3 GUT leptoquark in flavor universality and collider searches

    NASA Astrophysics Data System (ADS)

    Doršner, Ilja; Fajfer, Svjetlana; Faroughy, Darius A.; Košnik, Nejc

    2017-10-01

    We investigate the ability of the S 3 scalar leptoquark to address the recent hints of lepton universality violation in B meson decays. The S 3 leptoquark with quantum numbers (\\overline{3},3,1/3) naturally emerges in the context of an SU(5) GUT model without any conflict with the stringent limits from observed nucleon stability. Scalar leptoquark S 3 with left-handed couplings to 2nd and 3rd generations of charged leptons and down-type quarks seems well-suited to address both R K(∗) and R D(∗) . We quantify this suitability with numerical fits to a plethora of relevant flavor observables. The proposed SU(5) model calls for a second leptoquark state, i.e., \\tilde{R}_2 with quantum numbers ( 3 , 2 , 1 /6), if one is to generate gauge coupling unification and neutrino mass. We accordingly include it in our study to investigate \\tilde{R}_2 's ability to offset adverse effects of S 3 and thus improve a quality of numerical fits. A global fit of the leptoquark Yukawa couplings shows that large couplings of light S 3 to τ leptons are preferred. We furthermore identify B\\to {K}^{(\\ast )}\\overline{ν}ν as the most sensitive channel to probe the preferred region of parameter space. Large couplings of S 3 to τ leptons are finally confronted with the experimental searches for τ final states at the Large Hadron Collider. These searches comprise a study of decay products of the leptoquark pair production, as well as, and more importantly, an analysis of the high-mass ττ finalstates.

  13. The 3D Reference Earth Model (REM-3D): Update and Outlook

    NASA Astrophysics Data System (ADS)

    Lekic, V.; Moulik, P.; Romanowicz, B. A.; Dziewonski, A. M.

    2016-12-01

    Elastic properties of the Earth's interior (e.g. density, rigidity, compressibility, anisotropy) vary spatially due to changes in temperature, pressure, composition, and flow. In the 20th century, seismologists have constructed reference models of how these quantities vary with depth, notably the PREM model of Dziewonski and Anderson (1981). These 1D reference earth models have proven indispensable in earthquake location, imaging of interior structure, understanding material properties under extreme conditions, and as a reference in other fields, such as particle physics and astronomy. Over the past three decades, more sophisticated efforts by seismologists have yielded several generations of models of how properties vary not only with depth, but also laterally. Yet, though these three-dimensional (3D) models exhibit compelling similarities at large scales, differences in the methodology, representation of structure, and dataset upon which they are based, have prevented the creation of 3D community reference models. We propose to overcome these challenges by compiling, reconciling, and distributing a long period (>15 s) reference seismic dataset, from which we will construct a 3D seismic reference model (REM-3D) for the Earth's mantle, which will come in two flavors: a long wavelength smoothly parameterized model and a set of regional profiles. Here, we summarize progress made in the construction of the reference long period dataset, and present preliminary versions of the REM-3D in order to illustrate the two flavors of REM-3D and their relative advantages and disadvantages. As a community reference model and with fully quantified uncertainties and tradeoffs, REM-3D will facilitate Earth imaging studies, earthquake characterization, inferences on temperature and composition in the deep interior, and be of improved utility to emerging scientific endeavors, such as neutrino geoscience. In this presentation, we outline the outlook for setting up advisory community

  14. INVERSE MODEL ESTIMATION AND EVALUATION OF SEASONAL NH 3 EMISSIONS

    EPA Science Inventory

    The presentation topic is inverse modeling for estimate and evaluation of emissions. The case study presented is the need for seasonal estimates of NH3 emissions for air quality modeling. The inverse modeling application approach is first described, and then the NH<S...

  15. Tensionless string spectra on AdS3

    NASA Astrophysics Data System (ADS)

    Gaberdiel, Matthias R.; Gopakumar, Rajesh

    2018-05-01

    The spectrum of superstrings on AdS3 × S3 × M 4 with pure NS-NS flux is analysed for the background where the radius of the AdS space takes the minimal value ( k = 1). Both for M 4 = S3 × S1 and M 4 = T 4 we show that there is a special set of physical states, coming from the bottom of the spectrally flowed continuous representations, which agree in precise detail with the single particle spectrum of a free symmetric product orbifold. For the case of AdS3 × S3 × T 4 this relies on making sense of the world-sheet theory at k = 1, for which we make a concrete proposal. We also comment on the implications of this striking result.

  16. Comparative study of electronic structure and microscopic model of SrMn3P4O14 and Sr3Cu3(PO4)4

    NASA Astrophysics Data System (ADS)

    Khanam, Dilruba; Rahaman, Badiur

    2018-05-01

    We present the first principle density functional calculations to figure out the comparative study of the underlying spin model SrMn3P4O14 and Sr3Cu3(PO4)4. We explicitly discuss the nature of the exchange paths and provide quantitative estimates of magnetic exchange couplings for both compounds. A microscopic modeling based on analysis of the electronic structure of both systems puts them in the interesting class of weakly coupled trimer units, which makes chains S=5/2 for SrMn3P4O14 and S=1/2 for Sr3Cu3(PO4)4 that are in turn weakly coupled to each other.

  17. Extensions and improvements on XTRAN3S

    NASA Technical Reports Server (NTRS)

    Borland, C. J.

    1989-01-01

    Improvements to the XTRAN3S computer program are summarized. Work on this code, for steady and unsteady aerodynamic and aeroelastic analysis in the transonic flow regime has concentrated on the following areas: (1) Maintenance of the XTRAN3S code, including correction of errors, enhancement of operational capability, and installation on the Cray X-MP system; (2) Extension of the vectorization concepts in XTRAN3S to include additional areas of the code for improved execution speed; (3) Modification of the XTRAN3S algorithm for improved numerical stability for swept, tapered wing cases and improved computational efficiency; and (4) Extension of the wing-only version of XTRAN3S to include pylon and nacelle or external store capability.

  18. Tests of a High Temperature Sample Conditioner for the Waste Treatment Plant LV-S2, LV-S3, HV-S3A and HV-S3B Exhaust Systems

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Flaherty, Julia E.; Glissmeyer, John A.

    2015-03-18

    Tests were performed to evaluate a sample conditioning unit for stack monitoring at Hanford Tank Waste Treatment and Immobilization Plant (WTP) exhaust stacks with elevated air temperatures. The LV-S2, LV-S3, HV-S3A and HV-S3B exhaust stacks are expected to have elevated air temperature and dew point. At these emission points, exhaust temperatures are too high to deliver the air sample directly to the required stack monitoring equipment. As a result, a sample conditioning system is considered to cool and dry the air prior to its delivery to the stack monitoring system. The method proposed for the sample conditioning is a dilutionmore » system that will introduce cooler, dry air to the air sample stream. This method of sample conditioning is meant to reduce the sample temperature while avoiding condensation of moisture in the sample stream. An additional constraint is that the ANSI/HPS N13.1-1999 standard states that at least 50% of the 10 μm aerodynamic diameter (AD) particles present in the stack free stream must be delivered to the sample collector. In other words, depositional loss of particles should be limited to 50% in the sampling, transport, and conditioning systems. Based on estimates of particle penetration through the LV-S3 sampling system, the diluter should perform with about 80% penetration or better to ensure that the total sampling system passes the 50% or greater penetration criterion.« less

  19. Seismic modeling of Earth's 3D structure: Recent advancements

    NASA Astrophysics Data System (ADS)

    Ritsema, J.

    2008-12-01

    Global models of Earth's seismic structure continue to improve due to the growth of seismic data sets, implementation of advanced wave propagations theories, and increased computational power. In my presentation, I will summarize seismic tomography results from the past 5-10 years. I will compare the most recent P and S velocity models, discuss model resolution and model interpretation, and present an, admittedly biased, list of research directions required to develop the next generation 3D models.

  20. Analysis of the right-handed Majorana neutrino mass in an S U (4 )×S U (2 )L×S U (2 )R Pati-Salam model with democratic texture

    NASA Astrophysics Data System (ADS)

    Yang, Masaki J. S.

    2017-03-01

    In this paper, we attempt to build a unified model with the democratic texture, that has some unification between up-type Yukawa interactions Yν and Yu . Since the S3S3 R flavor symmetry is chiral, the unified gauge group is assumed to be Pati-Salam type S U (4 )c×S U (2 )L×S U (2 )R. The breaking scheme of the flavor symmetry is considered to be S3S3 R→S2 L×S2 R→0 . In this picture, the four-zero texture is desirable for realistic masses and mixings. This texture is realized by a specific representation for the second breaking of the S3S3 R flavor symmetry. Assuming only renormalizable Yukawa interactions, type-I seesaw mechanism, and neglecting C P phases for simplicity, the right-handed neutrino mass matrix MR can be reconstructed from low energy input values. Numerical analysis shows that the texture of MR basically behaves like the "waterfall texture." Since MR tends to be the "cascade texture" in the democratic texture approach, a model with type-I seesaw and up-type Yukawa unification Yν≃Yu basically requires fine-tunings between parameters. Therefore, it seems to be more realistic to consider universal waterfall textures for both Yf and MR, e.g., by the radiative mass generation or the Froggatt-Nielsen mechanism. Moreover, analysis of eigenvalues shows that the lightest mass eigenvalue MR 1 is too light to achieve successful thermal leptogenesis. Although the resonant leptogenesis might be possible, it also requires fine-tunings of parameters.

  1. LM-3: A High-resolution Lake Michigan Mass Balance Water Quality Model

    EPA Science Inventory

    This report is a user’s manual that describes the high-resolution mass balance model known as LM3. LM3 has been applied to Lake Michigan to describe the transport and fate of atrazine, PCB congeners, and chloride in that system. The model has also been used to model eutrophicat...

  2. Modeling 3H-3He Gas-Liquid Phase Transport for Interpretation of Groundwater Age

    NASA Astrophysics Data System (ADS)

    Carle, S. F.; Esser, B.; Moran, J. E.

    2009-12-01

    California’s Groundwater Ambient Monitoring and Assessment (GAMA) Program has measured many hundreds of tritium (3H) and helium-3 (3He) concentrations in well water samples to derive estimates of groundwater age at production and monitoring wells in California basins. However, a 3H-3He age differs from an ideal groundwater age tracer in several respects: (1) the radioactive decay of 3H results in the accumulation of 3He being first-order with respect to 3H activity (versus a zero-order age-mass accumulation process for an ideal tracer), (2) surface concentrations of 3H as measured in precipitation over the last several decades have not been uniform, and (3) the 3H-3He “clock” begins at the water table and not at the ground surface where 3H source measurements are made. To better understand how these non-idealities affect interpretation of 3H-3He apparent groundwater age, we are modeling coupled gas-liquid phase flow and 3H-3He transport including processes of radiogenic decay, phase equilibrium, and molecular diffusion for water, air, 3H, and 3He components continuously through the vadose zone and saturated zone. Assessment of coupled liquid-gas phase processes enables consideration of 3H-3He residence time and dispersion within the vadose zone, including partitioning of tritiogenic 3He to the gas phase and subsequent diffusion into the atmosphere. The coupled gas-liquid phase modeling framework provides direct means to compare apparent 3H-3He age to ideal mean or advective groundwater ages for the same groundwater flow conditions. Examples are given for common groundwater flow systems involving areal recharge, discharge to streams or long-screened wells, and aquifer system heterogeneity. The Groundwater Ambient Monitoring and Assessment program is sponsored by the California State Water Resources Control Board and carried out in cooperation with the U.S. Geological Survey. This work was performed under the auspices of the U.S. Department of Energy by

  3. S3QL: A distributed domain specific language for controlled semantic integration of life sciences data

    PubMed Central

    2011-01-01

    Background The value and usefulness of data increases when it is explicitly interlinked with related data. This is the core principle of Linked Data. For life sciences researchers, harnessing the power of Linked Data to improve biological discovery is still challenged by a need to keep pace with rapidly evolving domains and requirements for collaboration and control as well as with the reference semantic web ontologies and standards. Knowledge organization systems (KOSs) can provide an abstraction for publishing biological discoveries as Linked Data without complicating transactions with contextual minutia such as provenance and access control. We have previously described the Simple Sloppy Semantic Database (S3DB) as an efficient model for creating knowledge organization systems using Linked Data best practices with explicit distinction between domain and instantiation and support for a permission control mechanism that automatically migrates between the two. In this report we present a domain specific language, the S3DB query language (S3QL), to operate on its underlying core model and facilitate management of Linked Data. Results Reflecting the data driven nature of our approach, S3QL has been implemented as an application programming interface for S3DB systems hosting biomedical data, and its syntax was subsequently generalized beyond the S3DB core model. This achievement is illustrated with the assembly of an S3QL query to manage entities from the Simple Knowledge Organization System. The illustrative use cases include gastrointestinal clinical trials, genomic characterization of cancer by The Cancer Genome Atlas (TCGA) and molecular epidemiology of infectious diseases. Conclusions S3QL was found to provide a convenient mechanism to represent context for interoperation between public and private datasets hosted at biomedical research institutions and linked data formalisms. PMID:21756325

  4. S3QL: a distributed domain specific language for controlled semantic integration of life sciences data.

    PubMed

    Deus, Helena F; Correa, Miriã C; Stanislaus, Romesh; Miragaia, Maria; Maass, Wolfgang; de Lencastre, Hermínia; Fox, Ronan; Almeida, Jonas S

    2011-07-14

    The value and usefulness of data increases when it is explicitly interlinked with related data. This is the core principle of Linked Data. For life sciences researchers, harnessing the power of Linked Data to improve biological discovery is still challenged by a need to keep pace with rapidly evolving domains and requirements for collaboration and control as well as with the reference semantic web ontologies and standards. Knowledge organization systems (KOSs) can provide an abstraction for publishing biological discoveries as Linked Data without complicating transactions with contextual minutia such as provenance and access control.We have previously described the Simple Sloppy Semantic Database (S3DB) as an efficient model for creating knowledge organization systems using Linked Data best practices with explicit distinction between domain and instantiation and support for a permission control mechanism that automatically migrates between the two. In this report we present a domain specific language, the S3DB query language (S3QL), to operate on its underlying core model and facilitate management of Linked Data. Reflecting the data driven nature of our approach, S3QL has been implemented as an application programming interface for S3DB systems hosting biomedical data, and its syntax was subsequently generalized beyond the S3DB core model. This achievement is illustrated with the assembly of an S3QL query to manage entities from the Simple Knowledge Organization System. The illustrative use cases include gastrointestinal clinical trials, genomic characterization of cancer by The Cancer Genome Atlas (TCGA) and molecular epidemiology of infectious diseases. S3QL was found to provide a convenient mechanism to represent context for interoperation between public and private datasets hosted at biomedical research institutions and linked data formalisms.

  5. Modelling of river plume dynamics in Öre estuary (Baltic Sea) with Telemac-3D hydrodynamic model

    NASA Astrophysics Data System (ADS)

    Sokolov, Alexander

    2016-04-01

    The main property of river plumes is their buoyancy, fresh water discharged by rivers is less dense than the receiving, saline waters. To study the processes of plume formation in case of river discharge into a brackish estuary where salinity is low (3.5 - 5 psu) a three dimensional hydrodynamic model was applied to the Öre estuary in the Baltic Sea. This estuary is a small fjord-like bay in the north part of the Baltic Sea. Size of the bay is about 8 by 8 km with maximum depth of 35 metres. River Öre has a small average freshwater discharge of 35 m3/s. But in spring during snowmelt the discharge can be many times higher. For example, in April 2015 the discharge increased from 8 m3/s to 160 m3/s in 18 days. To study river plume dynamics a finite element based three dimensional baroclinic model TELEMAC - 3D is used. The TELEMAC modelling suite is developed by the National Laboratory of Hydraulics and Environment (LNHE) of Electricité de France (EDF). Modelling domain was approximated by an unstructured mesh with element size varies from 50 to 500 m. In vertical direction a sigma-coordinate with 20 layers was used. Open sea boundary conditions were obtained from the Baltic Sea model HIROMB-BOOS using COPERNICUS marine environment monitoring service. Comparison of modelling results with observations obtained by BONUS COCOA project's field campaign in Öre estuary in 2015 shows that the model plausible simulate river plume dynamics. Modelling of age of freshwater is also discussed. This work resulted from the BONUS COCOA project was supported by BONUS (Art 185), funded jointly by the EU and the Swedish Research Council Formas.

  6. Pharmacological evaluation of a novel cyclic phosphatidic acid derivative 3-S-cyclic phosphatidic acid (3-S-cPA).

    PubMed

    Nozaki, Emi; Gotoh, Mari; Tanaka, Ryo; Kato, Masaru; Suzuki, Takahiro; Nakazaki, Atsuo; Hotta, Harumi; Kobayashi, Susumu; Murakami-Murofushi, Kimiko

    2012-05-15

    Cyclic phosphatidic acid (cPA) is a naturally occurring phospholipid mediator possessing cyclic phosphate ring, which is necessary for its specific biological activities. To stabilize cyclic phosphate ring of cPA, we synthesized a series of cPA derivatives. We have shown that racemic 3-S-cPA, with a phosphate oxygen atom replaced with a sulfur atom at the sn-3, was a more effective autotaxin (ATX) inhibitor than cPA. In this study, we showed that racemic 3-S-cPA also had potent biological activities such as inhibition of cancer cell migration, suppression of the nociceptive reflex, and attenuation of ischemia-induced delayed neuronal cell death in the hippocampal CA1. Moreover, we synthesized both enantiomers of palmitoleoyl derivative of 3-S-cPA, and found that the chirality of 3-S-cPA is not involved in ATX inhibition. Based on these findings, racemic 3-S-cPA is suggested as an effective therapeutic compound like cPA. Copyright © 2012 Elsevier Ltd. All rights reserved.

  7. A 3-factor model for the FACIT-Sp.

    PubMed

    Canada, Andrea L; Murphy, Patricia E; Fitchett, George; Peterman, Amy H; Schover, Leslie R

    2008-09-01

    The 12-item Functional Assessment of Chronic Illness Therapy-Spiritual Well-being Scale (FACIT-Sp) is a popular measure of the religious/spiritual (R/S) components of quality of life (QoL) in patients with cancer. The original factor analyses of the FACIT-Sp supported two factors: Meaning/Peace and Faith. Because Meaning suggests a cognitive aspect of R/S and Peace an affective component, we hypothesized a 3-factor solution: Meaning, Peace, and Faith. Participants were 240 long-term female survivors of cancer who completed the FACIT-Sp, the SF-12, and the BSI 18. We used confirmatory factor analysis to compare the 2- and 3-factor models of the FACIT-Sp and subsequently assessed associations between the resulting solutions and QoL domains. Survivors averaged 44 years of age and 10 years post-diagnosis. A 3-factor solution of the FACIT-Sp significantly improved the fit of the model to the data over the original 2-factor structure (Delta chi(2)=72.36, df=2, p<0.001). Further adjustments to the 3-factor model resulted in a final solution with even better goodness-of-fit indices (chi(2)=59.11, df=1, p=0.13, CFI=1.00, SMRM=0.05).The original Meaning/Peace factor controlling for Faith was associated with mental (r=0.63, p<0.000) and physical (r=0.22, p<0.01) health on the SF-12, and the original Faith factor controlling for Meaning/Peace was negatively associated with mental health (r=-0.15, p<0.05). The 3-factor model was more informative. Specifically, using partial correlations, the Peace factor was only related to mental health (r=0.53, p<0.001); Meaning was related to both physical (r=0.18, p<0.01) and mental (r=0.17, p<0.01) health; and Faith was negatively associated with mental health (r=-0.17, p<0.05). The results of this study support a 3-factor solution of the FACIT-Sp. The new solution not only represents a psychometric improvement over the original, but also enables a more detailed examination of the contribution of different dimensions of R/S to QoL. (c

  8. 3D Modelling and Printing Technology to Produce Patient-Specific 3D Models.

    PubMed

    Birbara, Nicolette S; Otton, James M; Pather, Nalini

    2017-11-10

    A comprehensive knowledge of mitral valve (MV) anatomy is crucial in the assessment of MV disease. While the use of three-dimensional (3D) modelling and printing in MV assessment has undergone early clinical evaluation, the precision and usefulness of this technology requires further investigation. This study aimed to assess and validate 3D modelling and printing technology to produce patient-specific 3D MV models. A prototype method for MV 3D modelling and printing was developed from computed tomography (CT) scans of a plastinated human heart. Mitral valve models were printed using four 3D printing methods and validated to assess precision. Cardiac CT and 3D echocardiography imaging data of four MV disease patients was used to produce patient-specific 3D printed models, and 40 cardiac health professionals (CHPs) were surveyed on the perceived value and potential uses of 3D models in a clinical setting. The prototype method demonstrated submillimetre precision for all four 3D printing methods used, and statistical analysis showed a significant difference (p<0.05) in precision between these methods. Patient-specific 3D printed models, particularly using multiple print materials, were considered useful by CHPs for preoperative planning, as well as other applications such as teaching and training. This study suggests that, with further advances in 3D modelling and printing technology, patient-specific 3D MV models could serve as a useful clinical tool. The findings also highlight the potential of this technology to be applied in a variety of medical areas within both clinical and educational settings. Copyright © 2017 Australian and New Zealand Society of Cardiac and Thoracic Surgeons (ANZSCTS) and the Cardiac Society of Australia and New Zealand (CSANZ). Published by Elsevier B.V. All rights reserved.

  9. TRAC posttest calculations of Semiscale Test S-06-3. [PWR

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ireland, J.R.; Bleiweis, P.B.

    A comparison of Transient Reactor Analysis Code (TRAC) steady-state and transient results with Semiscale Test S-06-3 (US Standard Problem 8) experimental data is discussed. The TRAC model used employs fewer mesh cells than normal data comparison models so that TRAC's ability to obtain reasonable results with less computer time can be assessed. In general, the TRAC results are in good agreement with the data and the major phenomena found in the experiment are reproduced by the code with a substantial reduction in computing times.

  10. The microscopic model of BiFeO3

    NASA Astrophysics Data System (ADS)

    Fishman, R. S.

    2018-05-01

    Many years and great effort have been spent constructing the microscopic model for the room temperature multiferroic BiFeO3. However, earlier models implicitly assumed that the cycloidal wavevector q was confined to one of the three-fold symmetric axes in the hexagonal plane normal to the electric polarization. Because recent measurements indicate that q can be rotated by a magnetic field, it is essential to properly treat the anisotropy that confines q at low fields. We propose that the anisotropy energy -K3S6sin6 θ cos 6 ϕ confines the wavevectors q to the three-fold axis ϕ = 0 and ± 2 π / 3 within the hexagonal plane with θ = π / 2 .

  11. Young’s modulus calculations for cellulose Iß by MM3 and quantum mechanics

    USDA-ARS?s Scientific Manuscript database

    Quantum mechanics (QM) and molecular mechanics (MM) calculations were performed to elucidate Young’s moduli for a series of cellulose Iß models. Computations using the second generation empirical force field MM3 with a disaccharide cellulose model, 1,4'-O-dimethyl-ß-cellobioside (DMCB), and an analo...

  12. AdS3 to dS3 transition in the near horizon of asymptotically de Sitter solutions

    NASA Astrophysics Data System (ADS)

    Sadeghian, S.; Vahidinia, M. H.

    2017-08-01

    We consider two solutions of Einstein-Λ theory which admit the extremal vanishing horizon (EVH) limit, odd-dimensional multispinning Kerr black hole (in the presence of cosmological constant) and cosmological soliton. We show that the near horizon EVH geometry of Kerr has a three-dimensional maximally symmetric subspace whose curvature depends on rotational parameters and the cosmological constant. In the Kerr-dS case, this subspace interpolates between AdS3 , three-dimensional flat and dS3 by varying rotational parameters, while the near horizon of the EVH cosmological soliton always has a dS3 . The feature of the EVH cosmological soliton is that it is regular everywhere on the horizon. In the near EVH case, these three-dimensional parts turn into the corresponding locally maximally symmetric spacetimes with a horizon: Kerr-dS3 , flat space cosmology or BTZ black hole. We show that their thermodynamics match with the thermodynamics of the original near EVH black holes. We also briefly discuss the holographic two-dimensional CFT dual to the near horizon of EVH solutions.

  13. Citygml Modelling for Singapore 3d National Mapping

    NASA Astrophysics Data System (ADS)

    Soon, K. H.; Khoo, V. H. S.

    2017-10-01

    Since 2014, the Land Survey Division of Singapore Land Authority (SLA) has spearheaded a Whole-of-Government (WOG) 3D mapping project to create and maintain a 3D national map for Singapore. The implementation of the project is divided into two phases. The first phase of the project, which was based on airborne data collection, has produced 3D models for Relief, Building, Vegetation and Waterbody. This part of the work was completed in 2016. To complement the first phase, the second phase used mobile imaging and scanning technique. This phase is targeted to be completed by the mid of 2017 and is creating 3D models for Transportation, CityFurniture, Bridge and Tunnel. The project has extensively adopted the Open Geospatial Consortium (OGC)'s CityGML standard. Out of 10 currently supported thematic modules in CityGML 2.0, the project has implemented 8. The paper describes the adoption of CityGML in the project, and discusses challenges, data validations and management of the models.

  14. Behavioral Effects of the Benzodiazepine-Positive Allosteric Modulator SH-053-2’F-S-CH3 in an Immune-Mediated Neurodevelopmental Disruption Model

    PubMed Central

    Richetto, Juliet; Labouesse, Marie A.; Poe, Michael M.; Cook, James M.; Grace, Anthony A.; Riva, Marco A.

    2015-01-01

    Background: Impaired γ-aminobutyric acid (GABA) signaling may contribute to the emergence of cognitive deficits and subcortical dopaminergic hyperactivity in patients with schizophrenia and related psychotic disorders. Against this background, it has been proposed that pharmacological interventions targeting GABAergic dysfunctions may prove useful in correcting such cognitive impairments and dopaminergic imbalances. Methods: Here, we explored possible beneficial effects of the benzodiazepine-positive allosteric modulator SH-053-2’F-S-CH3, with partial selectivity at the α2, α3, and α5 subunits of the GABAA receptor in an immune-mediated neurodevelopmental disruption model. The model is based on prenatal administration of the viral mimetic polyriboinosinic-polyribocytidilic acid [poly(I:C)] in mice, which is known to capture various GABAergic, dopamine-related, and cognitive abnormalities implicated in schizophrenia and related disorders. Results: Real-time polymerase chain reaction analyses confirmed the expected alterations in GABAA receptor α subunit gene expression in the medial prefrontal cortices and ventral hippocampi of adult poly(I:C) offspring relative to control offspring. Systemic administration of SH-053-2’F-S-CH3 failed to normalize the poly(I:C)-induced deficits in working memory and social interaction, but instead impaired performance in these cognitive and behavioral domains both in control and poly(I:C) offspring. In contrast, SH-053-2’F-S-CH3 was highly effective in mitigating the poly(I:C)-induced amphetamine hypersensitivity phenotype without causing side effects in control offspring. Conclusions: Our preclinical data suggest that benzodiazepine-like positive allosteric modulators with activity at the α2, α3, and α5 subunits of the GABAA receptor may be particularly useful in correcting pathological overactivity of the dopaminergic system, but they may be ineffective in targeting multiple pathological domains that involve the co

  15. P- and S-wave velocity models incorporating the Cascadia subduction zone for 3D earthquake ground motion simulations—Update for Open-File Report 2007–1348

    USGS Publications Warehouse

    Stephenson, William J.; Reitman, Nadine G.; Angster, Stephen J.

    2017-12-20

    In support of earthquake hazards studies and ground motion simulations in the Pacific Northwest, threedimensional (3D) P- and S-wave velocity (VP and VS , respectively) models incorporating the Cascadia subduction zone were previously developed for the region encompassed from about 40.2°N. to 50°N. latitude, and from about 122°W. to 129°W. longitude (fig. 1). This report describes updates to the Cascadia velocity property volumes of model version 1.3 ([V1.3]; Stephenson, 2007), herein called model version 1.6 (V1.6). As in model V1.3, the updated V1.6 model volume includes depths from 0 kilometers (km) (mean sea level) to 60 km, and it is intended to be a reference for researchers who have used, or are planning to use, this model in their earth science investigations. To this end, it is intended that the VP and VS property volumes of model V1.6 will be considered a template for a community velocity model of the Cascadia region as additional results become available. With the recent and ongoing development of the National Crustal Model (NCM; Boyd and Shah, 2016), we envision any future versions of this model will be directly integrated with that effort

  16. Temperature studies of optical parameters of (Ag3AsS3)0.6(As2S3)0.4 thin films prepared by rapid thermal evaporation and pulse laser deposition

    NASA Astrophysics Data System (ADS)

    Studenyak, I. P.; Kutsyk, M. M.; Buchuk, M. Yu.; Rati, Y. Y.; Neimet, Yu. Yu.; Izai, V. Yu.; Kökényesi, S.; Nemec, P.

    2016-02-01

    (Ag3AsS3)0.6(As2S3)0.4 thin films were deposited using rapid thermal evaporation (RTE) and pulse laser deposition (PLD) techniques. Ag-enriched micrometre-sized cones (RTE) and bubbles (PLD) were observed on the thin film surface. Optical transmission spectra of the thin films were studied in the temperature range 77-300 K. The Urbach behaviour of the optical absorption edge in the thin films due to strong electron-phonon interaction was observed, the main parameters of the Urbach absorption edge were determined. Temperature dependences of the energy position of the exponential absorption edge and the Urbach energy are well described in the Einstein model. Dispersion and temperature dependences of refractive indices were analysed; a non-linear increase of the refractive indices with temperature was revealed. Disordering processes in the thin films were studied and compared with bulk composites, the differences between the thin films prepared by RTE and PLD were analysed.

  17. Mercury deposition in snow near an industrial emission source in the western U.S. and comparison to ISC3 model predictions

    USGS Publications Warehouse

    Abbott, M.L.; Susong, D.D.; Krabbenhoft, D.P.; Rood, A.S.

    2002-01-01

    Mercury (total and methyl) was evaluated in snow samples collected near a major mercury emission source on the Idaho National Engineering and Environmental Laboratory (INEEL) in southeastern Idaho and 160 km downwind in Teton Range in western Wyoming. The sampling was done to assess near-field (<12 km) deposition rates around the source, compare them to those measured in a relatively remote, pristine downwind location, and to use the measurements to develop improved, site-specific model input parameters for precipitation scavenging coefficient and the fraction of Hg emissions deposited locally. Measured snow water concentrations (ng L-1) were converted to deposition (ug m-2) using the sample location snow water equivalent. The deposition was then compared to that predicted using the ISC3 air dispersion/deposition model which was run with a range of particle and vapor scavenging coefficient input values. Accepted model statistical performance measures (fractional bias and normalized mean square error) were calculated for the different modeling runs, and the best model performance was selected. Measured concentrations close to the source (average = 5.3 ng L-1) were about twice those measured in the Teton Range (average = 2.7 ng L-1) which were within the expected range of values for remote background areas. For most of the sampling locations, the ISC3 model predicted within a factor of two of the observed deposition. The best modeling performance was obtained using a scavenging coefficient value for 0.25 ??m diameter particulate and the assumption that all of the mercury is reactive Hg(II) and subject to local deposition. A 0.1 ??m particle assumption provided conservative overprediction of the data, while a vapor assumption resulted in highly variable predictions. Partitioning a fraction of the Hg emissions to elemental Hg(0) (a U.S. EPA default assumption for combustion facility risk assessments) would have underpredicted the observed fallout.

  18. S3b amino acid residues do not shuttle across the bilayer in voltage-dependent Shaker K+ channels

    PubMed Central

    Gonzalez, Carlos; Morera, Francisco J.; Rosenmann, Eduardo; Alvarez, Osvaldo; Latorre, Ramon

    2005-01-01

    In voltage-dependent channels, positive charges contained within the S4 domain are the voltage-sensing elements. The “voltage-sensor paddle” gating mechanism proposed for the KvAP K+ channel has been the subject of intense discussion regarding its general applicability to the family of voltage-gated channels. In this model, the voltage sensor composed of the S3b and the S4 segment shuttles across the lipid bilayer during channel activation. Guided by this mechanism, we assessed here the accessibility of residues in the S3 segment of the Shaker K+ channel by using cysteine-scanning mutagenesis. Mutants expressed robust K+ currents in Xenopus oocytes and reacted with methanethiosulfonate ethyltrimethylammonium in both closed and open conformations of the channel. Because Shaker has a long S3S4 linker segment, we generated a deletion mutant with only three residues to emulate the KvAP structure. In this short linker mutant, all of the tested residues in the S3b were accessible to methanethiosulfonate ethyltrimethylammonium in both closed and open conformations. Because the S3b moves together with the S4 domain in the paddle model, we tested the effects of deleting two negative charges or adding a positive charge to this region of the channel. We found that altering the S3b net charge does not modify the total gating charge involved in channel activation. We conclude that the S3b segment is always exposed to the external milieu of the Shaker K+ channel. Our results are incompatible with any model involving a large membrane displacement of segment S3b. PMID:15774578

  19. Suppression of (Υ1S), Υ(2S), and Υ(3S) quarkonium states in PbPb collisions at s NN = 2.76 TeV

    DOE PAGES

    Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; ...

    2017-04-19

    The production yields of Υ(1S), Υ(2S), and Υ(3S) quarkonium states are measured through their decays into muon pairs in the CMS detector, in PbPb and pp collisions at the centre-of-mass energy per nucleon pair of 2.76 TeV. The data correspond to integrated luminosities of 166μb –1 and 5.4pb –1 for PbPb and pp collisions, respectively. Differential production cross sections are reported as functions of Υ rapidity y up to 2.4, and transverse momentum p T up to 20GeV/c. A strong centrality-dependent suppression is observed in PbPb relative to pp collisions, by factors of up to ≈2 and 8, for themore » Υ(1S) and Υ(2S) states, respectively. No significant dependence of this suppression is observed as a function of y or p T. The Υ(3S) state is not observed in PbPb collisions, which corresponds to a suppression for the centrality-integrated data by at least a factor of ≈7 at a 95% confidence level. As a result, the observed suppression is in agreement with theoretical scenarios modeling the sequential melting of quarkonium states in a quark gluon plasma.« less

  20. A transient model of the RL10A-3-3A rocket engine

    NASA Technical Reports Server (NTRS)

    Binder, Michael P.

    1995-01-01

    RL10A-3-3A rocket engines have served as the main propulsion system for Centaur upper stage vehicles since the early 1980's. This hydrogen/oxygen expander cycle engine continues to play a major role in the American launch industry. The Space Propulsion Technology Division at the NASA Lewis Research Center has created a computer model of the RL10 engine, based on detailed component analyses and available test data. This RL10 engine model can predict the performance of the engine over a wide range of operating conditions. The model may also be used to predict the effects of any proposed design changes and anticipated failure scenarios. In this paper, the results of the component analyses are discussed. Simulation results from the new system model are compared with engine test and flight data, including the start and shut-down transient characteristics.

  1. Synthesis and characterization of sulfur-voided cubanes. Structural analogues for the MoFe(3)S(3) subunit in the nitrogenase cofactor.

    PubMed

    Coucouvanis, Dimitri; Han, Jaehong; Moon, Namdoo

    2002-01-16

    A new class of Mo/Fe/S clusters with the MoFe(3)S(3) core has been synthesized in attempts to model the FeMo-cofactor in nitrogenase. These clusters are obtained in reactions of the (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et (I), (n)Pr (II)] clusters with CO. The new clusters include those preliminarily reported: (Cl(4)-cat)MoFe(3)S(3)(PEt(3))(2)(CO)(6) (III), (Cl(4)-cat)(O)MoFe(3)S(3)(PEt(3))(3)(CO)(5) (IV), (Cl(4)-cat)(Pyr)MoFe(3)S(3)(PEt(3))(2)(CO)(6) (VI), and (Cl(4)-cat)(Pyr)MoFe(3)S(3)(P(n)Pr(3))(3)(CO)(4) (VIII). In addition the new (Cl(4)-cat)(O)MoFe(3)S(3)(P(n)Pr(3))(3)(CO)(5) cluster (IVa), the (Cl(4)-cat)(O)MoFe(3)S(3)(PEt(3))(2)(CO)(6)cluster (V), the (Cl(4)-cat)(O)MoFe(3)S(3)(P(n)Pr(3))(2)(CO)(6) cluster (Va), the (Cl(4)-cat)(Pyr)MoFe(3)S(3)(P(n)Pr(3))(2)(CO)(6) cluster (VIa), and the (Cl(4)-cat)(P(n)Pr(3))MoFe(3)S(3)(P(n)Pr(3))(2)(CO)(6) cluster (VII) also are reported. Clusters III-VIII have been structurally and spectroscopically characterized. EPR, zero-field (57)Fe-Mössbauer spectroscopic characterizations, and magnetic susceptibility measurements have been used for a tentative assignment of the electronic and oxidation states of the MoFe(3)S(3) sulfur-voided cuboidal clusters. A structural comparison of the clusters with the MoFe(3)S(3) subunit of the FeMo-cofactor has led to the suggestion that the storage of reducing equivalents into M-M bonds, and their use in the reduction of substrates, may occur with the FeMo-cofactor, which also appears to have M-M bonding. On the basis of this argument, a possible N(2)-binding and reduction mechanism on the FeMoco-cofactor is proposed.

  2. The metabotropic glutamate receptor 8 agonist (S)-3,4-DCPG reverses motor deficits in prolonged but not acute models of Parkinson’s disease

    PubMed Central

    Johnson, Kari A.; Jones, Carrie K.; Tantawy, Mohammed N.; Bubser, Michael; Marvanova, Marketa; Ansari, M. Sib; Baldwin, Ronald M.; Conn, P. Jeffrey; Niswender, Colleen M.

    2012-01-01

    Metabotropic glutamate receptors (mGlus) are 7 Transmembrane Spanning Receptors (7TMs) that are differentially expressed throughout the brain and modulate synaptic transmission at both excitatory and inhibitory synapses. Recently, mGlus have been implicated as therapeutic targets for many disorders of the central nervous system, including Parkinson’s disease (PD). Previous studies have shown that nonselective agonists of group III mGlus have antiparkinsonian effects in several animal models of PD, suggesting that these receptors represent promising targets for treating the motor symptoms of PD. However, the relative contributions of different group III mGlu subtypes to these effects have not been fully elucidated. Here we report that intracerebroventricular (icv) administration of the mGlu8-selective agonist (S)-3,4-dicarboxyphenylglycine (DCPG [2.5, 10, or 30 nmol]) does not alleviate motor deficits caused by acute (two hour) treatment with haloperidol or reserpine. However, following prolonged pretreatment with haloperidol (three doses evenly spaced over 18–20 hours) or reserpine (18–20 hours), DCPG robustly reverses haloperidol-induced catalepsy and reserpine-induced akinesia. Furthermore, DCPG (10 nmol, icv) reverses the long-lasting catalepsy induced by 20 hour pretreatment with the decanoate salt of haloperidol. Finally, icv administration of DCPG ameliorates forelimb use asymmetry caused by unilateral 6-hydroxydopamine lesion of substantia nigra dopamine neurons. These findings suggest that mGlu8 may partially mediate the antiparkinsonian effects of group III mGlu agonists in animal models of PD in which dopamine depletion or blockade of D2-like dopamine receptors is prolonged and indicate that selective activation of mGlu8 may represent a novel therapeutic strategy for alleviating the motor symptoms of PD. PMID:22546615

  3. 3-[4-Bromo-α( R*)-methoxybenzyl]-6-chloro-3( S*),4( S*)-dihydroxychroman: X-ray and DFT Studies

    NASA Astrophysics Data System (ADS)

    Sepay, Nayim; Mondal, Rina; Guha, Chayan; Mallik, Asok K.

    2018-05-01

    Sodium borohydride reduction of E-3-benzylidenechromanone epoxides in dry methanol has afforded 3( S*), 4( S*)-dihydroxy-3-[α( R*)-methoxybenzyl]chromans as an interesting class of products, the structures of which have been assigned mainly from spectral data and consideration of the mechanistic aspects. X-ray diffraction study of one of them, 3-[4-bromo-α( R*)-methoxybenzyl]-6-chloro-3( S*),4( S*)- dihydroxychroman, is performed. The title compound crystallizes in the monoclinic sp. gr. P21/ n, with a = 13.336(6) Å, b = 10.866(5) Å, c = 27.166(11) Å, β = 95.193(6)°, V = 3920(3) Å3, and Z = 8. Supramolecular construction of the compound involves O-H···O intermolecular hydrogen bonds as well as three other types of non-covalent interactions which are responsible for crystal packing. Density functional theory was applied for geometry optimization, molecular orbital calculations, and prediction of UV spectral features. The geometric parameters (bond lengths, bond angles, and dihedral angles) for the representative compound obtained from density functional theory with B3LY6-31G basis set were in good agreement with experimental values.

  4. Worldsheet scattering in AdS3/CFT2

    NASA Astrophysics Data System (ADS)

    Sundin, Per; Wulff, Linus

    2013-07-01

    We confront the recently proposed exact S-matrices for AdS 3/ CFT 2 with direct worldsheet calculations. Utilizing the BMN and Near Flat Space (NFS) expansions for strings on AdS 3 × S 3 × S 3 × S 1 and AdS 3 × S 3 × T 4 we compute both tree-level and one-loop scattering amplitudes. Up to some minor issues we find nice agreement in the tree-level sector. At the one-loop level however we find that certain non-zero tree-level processes, which are not visible in the exact solution, contribute, via the optical theorem, and give an apparent mismatch for certain amplitudes. Furthermore we find that a proposed one-loop modification of the dressing phase correctly reproduces the worldsheet calculation while the standard Hernandez-Lopez phase does not. We also compute several massless to massless processes.

  5. Astrophysical 3He(α ,γ )7Be and 3H(α ,γ )7Li direct capture reactions in a potential-model approach

    NASA Astrophysics Data System (ADS)

    Tursunov, E. M.; Turakulov, S. A.; Kadyrov, A. S.

    2018-03-01

    The astrophysical 3He(α ,γ )7Be and 3H(α ,γ )7Li direct capture processes are studied in the framework of the two-body model with potentials of a simple Gaussian form, which describe correctly the phase shifts in the s , p , d , and f waves, as well as the binding energy and the asymptotic normalization constant of the ground p3 /2 and the first excited p1 /2 bound states. It is shown that the E 1 transition from the initial s wave to the final p waves is strongly dominant in both capture reactions. On this basis the s -wave potential parameters are adjusted to reproduce the new data of the LUNA Collaboration around 100 keV and the newest data at the Gamov peak estimated with the help of the observed neutrino fluxes from the sun, S34(23-5+6keV ) =0.548 ±0.054 keV b for the astrophysical S factor of the capture process 3He(α ,γ )7Be . The resulting model describes well the astrophysical S factor in the low-energy big-bang nucleosynthesis region of 180-400 keV; however, it has a tendency to underestimate the data above 0.5 MeV. The energy dependence of the S factor is mostly consistent with the data and the results of the no-core shell model with continuum, but substantially different from the fermionic molecular dynamics model predictions. Two-body potentials, adjusted for the properties of the 7Be nucleus, 3He+α elastic scattering data, and the astrophysical S factor of the 3He(α ,γ )7Be direct capture reaction, are able to reproduce the properties of the 7Li nucleus, the binding energies of the ground 3 /2- and first excited 1 /2- states, and phase shifts of the 3H+α elastic scattering in partial waves. Most importantly, these potential models can successfully describe both absolute value and energy dependence of the existing experimental data for the mirror astrophysical 3H(α ,γ )7Li capture reaction without any additional adjustment of the parameters.

  6. DRI Model of the U.S. Economy -- Model Documentation

    EIA Publications

    1993-01-01

    Provides documentation on Data Resources, Inc., DRI Model of the U.S. Economy and the DRI Personal Computer Input/Output Model. It also describes the theoretical basis, structure and functions of both DRI models; and contains brief descriptions of the models and their equations.

  7. Interaction of the S100A6 mutant (C3S) with the V domain of the receptor for advanced glycation end products (RAGE)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mohan, Sepuru K., E-mail: mohansepuri@gmail.com; Gupta, Arun A., E-mail: ninja14gupta@gmail.com; Yu, Chin, E-mail: cyu.nthu@gmail.com

    2013-05-03

    Highlights: •The halo human S100A6 (C3S) NMR chemical shifts were assigned. •The interactions between S100A6m and RAGE V domain was investigated by ITC. •The residues involved in the S100A6m–RAGE V domain binding were mapped by {sup 1}H–{sup 15}N HSQC titration. •S100A6–RAGE V domain tetrameric complex model was generated from NMR studies. •The S100A6–RAGE V domain interface regions were elucidated based on HADDOCK model. -- Abstract: S100A6 is involved in several vital biological functions, such as calcium sensing and cell proliferation. It is a homodimeric protein that belongs to the S100 protein family. The receptor for advanced glycation end products (RAGE)more » has been shown to play a role in the progression of various disease conditions, such as diabetes and immune/inflammatory disorders. Information regarding the association of RAGE with S100 proteins at a molecular level is useful to understand the diversity of the RAGE signaling pathways. In this report, biomolecular NMR techniques were utilized for the resonance assignment of the C3S mutation in human S100A6 and characterizing its interaction with the RAGE V domain. Further binding affinity between S100A6m and the RAGE V domain was determined by isothermal titration calorimetric studies. HADDOCK was used to generate a heterotetramer model of the S100A6m–RAGE V domain complex. This model provides an important insights into the S100–RAGE cellular signaling pathway.« less

  8. Tungsten phosphanylarylthiolato complexes [W{PhP(2-SC6H4)2-kappa3S,S',P} 2] and [W{P(2-SC6H4)3-kappa4S,S',S",P}2]: synthesis, structures and redox chemistry.

    PubMed

    Hildebrand, Alexandra; Lönnecke, Peter; Silaghi-Dumitrescu, Luminita; Hey-Hawkins, Evamarie

    2008-09-14

    PhP(2-SHC6H4)2 (PS2H2) reacts with WCl6 with reduction of tungsten to give the air-sensitive tungsten(IV) complex [W{PhP(2-SC6H4)2-kappa(3)S,S',P}2] (1). 1 is oxidised in air to [WO{PhPO(2-SC6H4)2-kappa(3)S,S',O}{PhP(2-SC6H4)2-kappa(3)S,S',P}] (2). The attempted synthesis of 2 by reaction of 1 with iodosobenzene as oxidising agent was unsuccessful. [W{P(2-SC6H4)3-kappa(4)S,S',S",P}2] (3) was formed in the reaction of P(2-SHC6H4)3 (PS3H3) with WCl6. The W(VI) complex 3 contains two PS3(3-) ligands, each coordinated in a tetradentate fashion resulting in a tungsten coordination number of eight. The reaction of 3 with AgBF4 yields the dinuclear tungsten complex [W2{P(2-SC6H4)3-kappa(4)S,S',S",P}3]BF4 (4). Complexes 1-4 were characterised by spectral methods and X-ray structure determination.

  9. Calculations of resonances parameters for the ((2s2) 1Se, (2s2p) 1,3P0) and ((3s2) 1Se, (3s3p) 1,3P0) doubly excited states of helium-like ions with Z≤10 using a complex rotation method implemented in Scilab

    NASA Astrophysics Data System (ADS)

    Gning, Youssou; Sow, Malick; Traoré, Alassane; Dieng, Matabara; Diakhate, Babacar; Biaye, Mamadi; Wagué, Ahmadou

    2015-01-01

    In the present work a special computational program Scilab (Scientific Laboratory) in the complex rotation method has been used to calculate resonance parameters of ((2s2) 1Se, (2s2p) 1,3P0) and ((3s2) 1Se, (3s3p) 1,3P0) states of helium-like ions with Z≤10. The purpose of this study required a mathematical development of the Hamiltonian applied to Hylleraas wave function for intrashell states, leading to analytical expressions which are carried out under Scilab computational program. Results are in compliance with recent theoretical calculations.

  10. The 2018 and 2020 Updates of the U.S. National Seismic Hazard Models

    NASA Astrophysics Data System (ADS)

    Petersen, M. D.

    2017-12-01

    During 2018 the USGS will update the 2014 National Seismic Hazard Models by incorporating new seismicity models, ground motion models, site factors, fault inputs, and by improving weights to ground motion models using empirical and other data. We will update the earthquake catalog for the U.S. and introduce new rate models. Additional fault data will be used to improve rate estimates on active faults. New ground motion models (GMMs) and site factors for Vs30 have been released by the Pacific Earthquake Engineering Research Center (PEER) and we will consider these in assessing ground motions in craton and extended margin regions of the central and eastern U.S. The USGS will also include basin-depth terms for selected urban areas of the western United States to improve long-period shaking assessments using published depth estimates to 1.0 and 2.5 km/s shear wave velocities. We will produce hazard maps for input into the building codes that span a broad range of periods (0.1 to 5 s) and site classes (shear wave velocity from 2000 m/s to 200 m/s in the upper 30 m of the crust, Vs30). In the 2020 update we plan on including: a new national crustal model that defines basin depths required in the latest GMMs, new 3-D ground motion simulations for several urban areas, new magnitude-area equations, and new fault geodetic and geologic strain rate models. The USGS will also consider including new 3-D ground motion simulations for inclusion in these long-period maps. These new models are being evaluated and will be discussed at one or more regional and topical workshops held at the beginning of 2018.

  11. Study of dipion transitions among Υ(3S), Υ(2S), and Υ(1S) states

    NASA Astrophysics Data System (ADS)

    Cronin-Hennessy, D.; Gao, K. Y.; Hietala, J.; Kubota, Y.; Klein, T.; Lang, B. W.; Poling, R.; Scott, A. W.; Smith, A.; Zweber, P.; Dobbs, S.; Metreveli, Z.; Seth, K. K.; Tomaradze, A.; Ernst, J.; Ecklund, K. M.; Severini, H.; Love, W.; Savinov, V.; Lopez, A.; Mehrabyan, S.; Mendez, H.; Ramirez, J.; Huang, G. S.; Miller, D. H.; Pavlunin, V.; Sanghi, B.; Shipsey, I. P. J.; Xin, B.; Adams, G. S.; Anderson, M.; Cummings, J. P.; Danko, I.; Hu, D.; Moziak, B.; Napolitano, J.; He, Q.; Insler, J.; Muramatsu, H.; Park, C. S.; Thorndike, E. H.; Yang, F.; Artuso, M.; Blusk, S.; Khalil, S.; Li, J.; Menaa, N.; Mountain, R.; Nisar, S.; Randrianarivony, K.; Sia, R.; Skwarnicki, T.; Stone, S.; Wang, J. C.; Bonvicini, G.; Cinabro, D.; Dubrovin, M.; Lincoln, A.; Pappas, S. P.; Weinstein, A. J.; Asner, D. M.; Edwards, K. W.; Naik, P.; Briere, R. A.; Ferguson, T.; Tatishvili, G.; Vogel, H.; Watkins, M. E.; Rosner, J. L.; Adam, N. E.; Alexander, J. P.; Cassel, D. G.; Duboscq, J. E.; Ehrlich, R.; Fields, L.; Galik, R. S.; Gibbons, L.; Gray, R.; Gray, S. W.; Hartill, D. L.; Heltsley, B. K.; Hertz, D.; Jones, C. D.; Kandaswamy, J.; Kreinick, D. L.; Kuznetsov, V. E.; Mahlke-Krüger, H.; Mohapatra, D.; Onyisi, P. U. E.; Patterson, J. R.; Peterson, D.; Pivarski, J.; Riley, D.; Ryd, A.; Sadoff, A. J.; Schwarthoff, H.; Shi, X.; Stroiney, S.; Sun, W. M.; Wilksen, T.; Athar, S. B.; Patel, R.; Yelton, J.; Rubin, P.; Cawlfield, C.; Eisenstein, B. I.; Karliner, I.; Kim, D.; Lowrey, N.; Selen, M.; White, E. J.; Wiss, J.; Mitchell, R. E.; Shepherd, M. R.; Besson, D.; Pedlar, T. K.

    2007-10-01

    We present measurements of decay matrix elements for hadronic transitions of the form Υ(nS)→Υ(mS)ππ, where (n,m)=(3,1),(2,1),(3,2). We reconstruct charged and neutral pion modes with the final state Upsilon decaying to either μ+μ- or e+e-. Dalitz plot distributions for the 12 decay modes are fit individually as well as jointly assuming isospin symmetry, thereby measuring the matrix elements of the decay amplitude. We observe and account for the anomaly previously noted in the dipion invariant mass distribution for the Υ(3S)→Υ(1S)ππ transition and obtain good descriptions of the dynamics of the decay using the most general decay amplitude allowed by partial conservation of the axial-vector current considerations. The fits further indicate that the Υ(2S)→Υ(1S)ππ and Υ(3S)→Υ(2S)ππ transitions also show the presence of terms in the decay amplitude that were previously ignored, although at a relatively suppressed level.

  12. Ligand-binding pocket shape differences between S1P1 and S1P3 determine efficiency of chemical probe identification by uHTS

    PubMed Central

    Schürer, Stephan C.; Brown, Steven J.; Cabrera, Pedro Gonzales; Schaeffer, Marie-Therese; Chapman, Jacqueline; Jo, Euijung; Chase, Peter; Spicer, Tim; Hodder, Peter; Rosen, Hugh

    2008-01-01

    We have studied the Sphingosine 1-phosphate (S1P) receptor system to better understand why certain molecular targets within a closely related family are much more tractable when identifying compelling chemical leads. Five medically important G protein-coupled receptors for S1P regulate heart rate, coronary artery caliber, endothelial barrier integrity, and lymphocyte trafficking. Selective S1P receptor agonist probes would be of great utility to study receptor subtype-specific function. Through systematic screening of the same libraries, we identified novel selective agonists chemotypes for each of the S1P1 and S1P3 receptors. uHTS for S1P1 was more effective than for S1P3, with many selective, low nanomolar hits of proven mechanism emerging for. Receptor structure modeling and ligand docking reveal differences between the receptor binding pockets, which are the basis for sub-type selectivity. Novel selective agonists interact primarily in the hydrophobic pocket of the receptor in the absence of head-group interactions. Chemistry-space and shape-based analysis of the screening libraries in combination with the binding models explain the observed differential hit rates and enhanced efficiency for lead discovery for S1P1 vs. S1P3 in this closely related receptor family. PMID:18590333

  13. Lagrangian submanifolds with constant angle functions of the nearly Kähler S3 ×S3

    NASA Astrophysics Data System (ADS)

    Bektaş, Burcu; Moruz, Marilena; Van der Veken, Joeri; Vrancken, Luc

    2018-04-01

    We study Lagrangian submanifolds of the nearly Kähler S3 ×S3 with respect to their so called angle functions. We show that if all angle functions are constant, then the submanifold is either totally geodesic or has constant sectional curvature and there is a classification theorem that follows from Dioos et al. (2018). Moreover, we show that if precisely one angle function is constant, then it must be equal to 0 , π/3 or 2π/3. Using then two remarkable constructions together with the classification of Lagrangian submanifolds of which the first component has nowhere maximal rank from, Bektaş et al. (2018), we obtain a classification of such Lagrangian submanifolds.

  14. Art form as an object of cognitive modeling (towards development of Vygotsky`s semiotic model)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dmitriev, V.; Perlovsky, L.I.

    1996-12-31

    We suggest a further development of Vygotsky`s esthetic-semiotic model. First, we discuss Vygotsky`s model originally developed for the analysis of Ivan Bunin`s story {open_quotes}Light Breath{close_quotes}. Vygotsky analyzes formal methods used by Bunin to achieve a specific esthetic effect of {open_quote}lightness{close_quotes} while describing {open_quotes}dirty{close_quotes} events of everyday life. According to Vygotsky, this effect is achieved by ordering of events in a non-linear fashion. Vygotsky creams an airy pattern of smooth lines connecting events of story that he first orders linearly in time. And, he insists that this airy pattern creates an impression of airy lightness. In the language of semiotics, themore » esthetic effect is created by a specific structural organization of signs. Second, we present our critique of Vygotsky`s model. Although, we do not agree with Vygotsky`s sometimes moralistic judgements, and we consider the dynamics between inner personal values and received moral values to be more complicated than implied in his judgements, our critique in this paper is limited to the structure of his semiotic model. We emphasize that Vygotsky`s model does not explicitly account for a hierarchy of multiple levels of semiotic analysis. His analysis regularly slips from one level to another: (1) a lever of cognitive perception by a regular reader is confused with a level of creative genius of a writer; (2) {open_quotes}open{close_quotes} time of real world is mixed up with {open_quote}closed{close_quote} time of the story; (3) events are not organized by the hierarchy of their importance, nor in real world, nor in the inner model of the personages, nor in the story.« less

  15. Investigation of C3S hydration by environmental scanning electron microscope.

    PubMed

    Sakalli, Y; Trettin, R

    2015-07-01

    Tricalciumsilicate (C(3)S, Alite) is the major component of the Portland cement clinker, The hydration of the Alite is decisive for the properties of the resulting material due to the high content in cement. The mechanism of the hydration of C(3)S is very complicated and not yet fully understood. There are some models that describe the hydration of C(3)S in various ways. The Environmental Scanning Electron Microscopy (ESEM) working in gaseous atmosphere enables high-resolution dynamic observations of structure of materials, from micrometre to nanometre scale. This provides a new perspective in material research. ESEM significantly allows imaging of specimen in their natural state without the need for special preparation (coating, drying, etc.) that can alter the physical properties. This paper presents the results of our experimental studies of hydration of C(3)S using ESEM. The ESEM turned out to be an important extension of the conventional scanning microscopy. The purpose of these investigations is to gain insight of hydration mechanism to determine which hydration products are formed and to analyze if there are any differences in the composition of the hydration products. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

  16. Contribution of S4 segments and S4-S5 linkers to the low-voltage activation properties of T-type CaV3.3 channels.

    PubMed

    Sanchez-Sandoval, Ana Laura; Herrera Carrillo, Zazil; Díaz Velásquez, Clara Estela; Delgadillo, Dulce María; Rivera, Heriberto Manuel; Gomora, Juan Carlos

    2018-01-01

    Voltage-gated calcium channels contain four highly conserved transmembrane helices known as S4 segments that exhibit a positively charged residue every third position, and play the role of voltage sensing. Nonetheless, the activation range between high-voltage (HVA) and low-voltage (LVA) activated calcium channels is around 30-40 mV apart, despite the high level of amino acid similarity within their S4 segments. To investigate the contribution of S4 voltage sensors for the low-voltage activation characteristics of CaV3.3 channels we constructed chimeras by swapping S4 segments between this LVA channel and the HVA CaV1.2 channel. The substitution of S4 segment of Domain II in CaV3.3 by that of CaV1.2 (chimera IIS4C) induced a ~35 mV shift in the voltage-dependence of activation towards positive potentials, showing an I-V curve that almost overlaps with that of CaV1.2 channel. This HVA behavior induced by IIS4C chimera was accompanied by a 2-fold decrease in the voltage-dependence of channel gating. The IVS4 segment had also a strong effect in the voltage sensing of activation, while substitution of segments IS4 and IIIS4 moved the activation curve of CaV3.3 to more negative potentials. Swapping of IIS4 voltage sensor influenced additional properties of this channel such as steady-state inactivation, current decay, and deactivation. Notably, Domain I voltage sensor played a major role in preventing CaV3.3 channels to inactivate from closed states at extreme hyperpolarized potentials. Finally, site-directed mutagenesis in the CaV3.3 channel revealed a partial contribution of the S4-S5 linker of Domain II to LVA behavior, with synergic effects observed in double and triple mutations. These findings indicate that IIS4 and, to a lesser degree IVS4, voltage sensors are crucial in determining the LVA properties of CaV3.3 channels, although the accomplishment of this function involves the participation of other structural elements like S4-S5 linkers.

  17. Contribution of S4 segments and S4-S5 linkers to the low-voltage activation properties of T-type CaV3.3 channels

    PubMed Central

    Sanchez-Sandoval, Ana Laura; Herrera Carrillo, Zazil; Díaz Velásquez, Clara Estela; Delgadillo, Dulce María; Rivera, Heriberto Manuel

    2018-01-01

    Voltage-gated calcium channels contain four highly conserved transmembrane helices known as S4 segments that exhibit a positively charged residue every third position, and play the role of voltage sensing. Nonetheless, the activation range between high-voltage (HVA) and low-voltage (LVA) activated calcium channels is around 30–40 mV apart, despite the high level of amino acid similarity within their S4 segments. To investigate the contribution of S4 voltage sensors for the low-voltage activation characteristics of CaV3.3 channels we constructed chimeras by swapping S4 segments between this LVA channel and the HVA CaV1.2 channel. The substitution of S4 segment of Domain II in CaV3.3 by that of CaV1.2 (chimera IIS4C) induced a ~35 mV shift in the voltage-dependence of activation towards positive potentials, showing an I-V curve that almost overlaps with that of CaV1.2 channel. This HVA behavior induced by IIS4C chimera was accompanied by a 2-fold decrease in the voltage-dependence of channel gating. The IVS4 segment had also a strong effect in the voltage sensing of activation, while substitution of segments IS4 and IIIS4 moved the activation curve of CaV3.3 to more negative potentials. Swapping of IIS4 voltage sensor influenced additional properties of this channel such as steady-state inactivation, current decay, and deactivation. Notably, Domain I voltage sensor played a major role in preventing CaV3.3 channels to inactivate from closed states at extreme hyperpolarized potentials. Finally, site-directed mutagenesis in the CaV3.3 channel revealed a partial contribution of the S4-S5 linker of Domain II to LVA behavior, with synergic effects observed in double and triple mutations. These findings indicate that IIS4 and, to a lesser degree IVS4, voltage sensors are crucial in determining the LVA properties of CaV3.3 channels, although the accomplishment of this function involves the participation of other structural elements like S4-S5 linkers. PMID:29474447

  18. Electron Excitation Rate Coefficients for Transitions from the IS21S Ground State to the 1S2S1,3S and 1S2P1,3P0 Excited States of Helium

    NASA Astrophysics Data System (ADS)

    Aggarwal, K. M.; Kingston, A. E.; McDowell, M. R. C.

    1984-03-01

    The available experimental and theoretical electron impact excitation cross section data for the transitions from the 1s2 1S ground state to the 1s2s 1,3S and 1s2p 1,3P0 excited states of helium are assessed. Based on this assessed data, excitation rate coefficients are calculated over a wide electron temperature range below 3.0×106K. A comparison with other published results suggests that the rates used should be lower by a factor of 2 or more.

  19. Block of high-threshold calcium channels by the synthetic polyamines sFTX-3.3 and FTX-3.3.

    PubMed

    Norris, T M; Moya, E; Blagbrough, I S; Adams, M E

    1996-10-01

    A polyamine component of Agelenopsis aperta spider venom designated FTX is reported to be a selective antagonist of P-type calcium channels in the mammalian brain. Consequently, this component has frequently been used as a pharmacological tool to determine the presence, distribution, and function of P-type channels in physiological systems. We describe antagonism of calcium channels by the synthesized polyamine FTX-3.3, which has the proposed structure of natural FTX. We also examined a corresponding polyamine amide, sFTX-3.3. These polyamines are critically evaluated for antagonism of three high-threshold calcium channel subtypes in rat neurons through the use of the whole-cell patch-clamp technique. FTX-3.3 (IC50 = approximately 0.13 mM) is approximately twice as potent as sFTX-3.3 (IC50 = approximately 0.24 mM) against P-type channels and approximately 3-fold more potent against N-type channels (FTX-3.3, IC50 = approximately 0.24 mM; sFTX-3.3, IC50 = approximately 0.70 mM). Both polyamines also block L-type calcium channels with similar potencies. sFTX-3.3 (1 mM) and FTX-3.3 (0.5 mM) typically block 50% and 65% of Bay K8644-enhanced L-type current, respectively. Antagonism of each calcium channel subtype is voltage dependent, with less inhibition of Ba2+ currents at more-positive potentials. These data show that both sFTX-3.3 and FTX-3.3 antagonize P-, N-, and L-type calcium channels in mammalian Purkinje and superior cervical ganglia neurons with similar IC50 values.

  20. (-)-P7C3-S243 Protects a Rat Model of Alzheimer's Disease From Neuropsychiatric Deficits and Neurodegeneration Without Altering Amyloid Deposition or Reactive Glia.

    PubMed

    Voorhees, Jaymie R; Remy, Matthew T; Cintrón-Pérez, Coral J; El Rassi, Eli; Khan, Michael Z; Dutca, Laura M; Yin, Terry C; McDaniel, Latisha N; Williams, Noelle S; Brat, Daniel J; Pieper, Andrew A

    2017-11-06

    In addition to cognitive deficits, Alzheimer's disease (AD) is associated with other neuropsychiatric symptoms, including severe depression. Indeed, depression often precedes cognitive deficits in patients with AD. Unfortunately, the field has seen only minimal therapeutic advances, underscoring the critical need for new treatments. P7C3 aminopropyl carbazoles promote neuronal survival by enhancing nicotinamide adenine dinucleotide flux in injured neurons. Neuroprotection with P7C3 compounds has been demonstrated in preclinical models of neurodegeneration by virtue of promoting neuronal survival independently of early disease-specific pathology, resulting in protection from cognitive deficits and depressive-like behavior. We hypothesize that P7C3 compounds might be uniquely applicable to patients with AD, given the comorbid presentation of depression and cognitive deficits. Aging male and female wild-type and TgF344-AD rats, a well-characterized preclinical AD model, were administered (-)-P7C3-S243 daily for 9 and 18 months, beginning at 6 months of age. Behavioral phenotypes related to cognition and depression were assessed at 15 and 24 months, and brain pathology and biochemistry were assessed at 24 months. (-)-P7C3-S243 safely protected aging male and female wild-type and TgF344-AD rats from cognitive deficits and depressive-like behavior. Depressive-like behavior occurred earlier than cognitive deficits in TgF344-AD rats, consistent with AD in many patients. Treatment with (-)-P7C3-S243 blocked neurodegeneration in TgF344-AD rats, without altering amyloid deposition or indicators of neuroinflammation. Neuronal cell death-specific treatment approaches, such as P7C3 compounds, may represent a new treatment approach for patients experiencing the combination of cognitive deficits and depression associated with AD. Published by Elsevier Inc.

  1. An S 4 model inspired from self-complementary neutrino mixing

    NASA Astrophysics Data System (ADS)

    Zhang, Xinyi

    2018-03-01

    We build an S 4 model for neutrino masses and mixings based on the self-complementary (SC) neutrino mixing pattern. The SC mixing is constructed from the self-complementarity relation plus {δ }CP}=-\\tfrac{π }{2}. We elaborately construct the model at a percent level of accuracy to reproduce the structure given by the SC mixing. After performing a numerical study on the model’s parameter space, we find that in the case of normal ordering, the model can give predictions on the observables that are compatible with their 3σ ranges, and give predictions for the not-yet observed quantities like the lightest neutrino mass m 1 ∈ [0.003, 0.010] eV and the Dirac CP violating phase {δ }CP}\\in [256.72^\\circ ,283.33^\\circ ].

  2. Differential expression of GSK3β and pS9GSK3β in normal human tissues: can pS9GSK3β be an epithelial marker?

    PubMed

    Lee, Hojung; Ro, Jae Y

    2015-01-01

    Glycogen synthase kinase 3β (GSK3β) and phosphorylated GSK3β at Ser9 (pS9GSK3β) are crucial in cellular proliferation and metabolism. GSK3β and pS9GSK3β are deregulated in many diseases including tumors. Data on altered expression of GSK3β and pS9GSK3β are mainly limited to tumor tissues, thus the expression of GSK3β and pS9GSK3β in normal human tissue has been largely unknown. Thus, we examined the immunohistochemical localization of GSK3β and pS9GSK3β in human fetal and adult tissues, and also compared the expression pattern of GSK3β and pS9GSK3β with that of the CK7 and CK20. We found GSK3β expression in neurons of brain, myenteric plexus in gastrointestinal tract, squamous epithelium of skin, and mammary gland. The expression of pS9GSK3β was restricted to the epithelial cells of breast and pancreaticobiliary duct, distal nephron of kidney, gastrointestinal tract, fallopian tube, epididymis, secretory cell of prostatic gland, and umbrella cell of urinary tract. The staining pattern of pS9GSK3β and CK7 was overlapped in most organs except for gastrointestinal tract where CK7 was negative and CK20 was positive. Our results show that the expression of GSK3β may be associated with differentiation of ectodermal derived tissues and pS9GSK3β with that of epithelial cells of endodermal derived tissues in human. In addition, the expression of pS9GSK3β in the selective epithelial cells may indicate its association with secretory or barrier function of specific cells and may serve as another immunohistochemical marker for epithelial cells.

  3. [Protein S3 in the human 80S ribosome adjoins mRNA from 3'-side of the A-site codon].

    PubMed

    Molotkov, M V; Graĭfer, D M; Popugaeva, E A; Bulygin, K N; Meshchaninova, M I; Ven'iaminova, A G; Karpova, G G

    2007-01-01

    The protein environment of mRNA 3' of the A-site codon (the decoding site) in the human 80S ribosome was studied using a set of oligoribonucleotide derivatives bearing a UUU triplet at the 5'-end and a perfluoroarylazide group at one of the nucleotide residues at the 3'-end of this triplet. Analogues of mRNA were phased into the ribosome using binding at the tRNAPhe P-site, which recognizes the UUU codon. Mild UV irradiation of ribosome complexes with tRNAPhe and mRNA analogues resulted in the predominant crosslinking of the analogues with the 40S subunit components, mainly with proteins and, to a lesser extent, with rRNA. Among the 40S subunit ribosomal proteins, the S3 protein was the main target for modification in all cases. In addition, minor crosslinking with the S2 protein was observed. The crosslinking with the S3 and S2 proteins occurred both in triple complexes and in the absence of tRNA. Within triple complexes, crosslinking with S15 protein was also found, its efficiency considerably falling when the modified nucleotide was moved from positions +5 to +12 relative to the first codon nucleotide in the P-site. In some cases, crosslinking with the S30 protein was observed, it was most efficient for the derivative containing a photoreactive group at the +7 adenosine residue. The results indicate that the S3 protein in the human ribosome plays a key role in the formation of the mRNA binding site 3' of the codon in the decoding site.

  4. Phase diagram of the isotropic spin-(3)/(2) model on the z=3 Bethe lattice

    NASA Astrophysics Data System (ADS)

    Depenbrock, Stefan; Pollmann, Frank

    2013-07-01

    We study an SU(2) symmetric spin-3/2 model on the z=3 Bethe lattice using the infinite time evolving block decimation (iTEBD) method. This model is shown to exhibit a rich phase diagram. We compute several order parameters which allow us to identify a ferromagnetic, a ferrimagnetic, an antiferromagnetic, as well as a dimerized phase. We calculate the entanglement spectra from which we conclude the existence of a symmetry protected topological phase that is characterized by S=1/2 edge spins. Details of the iTEBD algorithm used for the simulations are included.

  5. U.S./U.S.S.R. SYMPOSIUM ON PARTICULATE CONTROL (3RD) HELD AT SUZDAL, U.S.S.R. ON SEPTEMBER 10-12, 1979

    EPA Science Inventory

    The proceedings document the Third U.S./U.S.S.R. Symposium on Particulate Control, September 10-12, 1979, in Suzdal, U.S.S.R. Papers covered such topics as: predicting back-corona formation and fly ash resistivity, improved electrostatic precipitator (ESP) mathematical modeling, ...

  6. Formation of MoS2 inorganic fullerenes (IFs) by the reaction of MoO3 nanobelts and S.

    PubMed

    Li, Xiao Lin; Li, Ya Dong

    2003-06-16

    The reaction of MoO3 and S at temperatures higher than 300 degrees C in an argon atmosphere provides a convenient and effective method for the synthesis of MoS2 nanocrystalline substances. MoS2 nanotubes and fullerene-like nanoparticles have been obtained by the reaction at 850 degrees C under well-controlled conditions. The influences of reaction temperature and duration were carefully investigated in this paper. All of the nanostructures were characterized by Xray powder diffraction (XRD), transmission electron microscopy (TEM), and high-resolution transmission electron microscopy (HRTEM). A stepwise reaction model and rolling mechanism were proposed based on the experimental results.

  7. Dirac operators on the S3 and S2 spheres

    NASA Astrophysics Data System (ADS)

    Cosmo, Fabio Di; Zampini, Alessandro

    We describe both the Hodge-de Rham and the spin manifold Dirac operator on the spheres S3 and S2, following the formalism introduced by Kähler, and exhibit a complete spectral resolution for them in terms of suitably globally defined eigenspinors.

  8. Structure and properties of Li 2S-P 2S 5-P 2S 3 glass and glass-ceramic electrolytes

    NASA Astrophysics Data System (ADS)

    Minami, Keiichi; Hayashi, Akitoshi; Ujiie, Satoshi; Tatsumisago, Masahiro

    High lithium ion conducting 70Li 2S·(30 - x)P 2S 5· xP 2S 3 (mol%) glasses and glass-ceramics were prepared by the mechanical milling method. Glasses were obtained in the composition range of 0 ≦ x ≦ 10. The substitution of P 2S 3 for P 2S 5 promoted the formation of the P 2S 6 4- units in the glasses. The conductivity of the glass increased with an increase in P 2S 3 contents up to 5 mol% and the glass with 5 mol% of P 2S 3 showed the conductivity of 1 × 10 -4 S cm -1 at room temperature. In the case of glass-ceramics, the conductivity increased with an increase in P 2S 3 contents up to 1 mol%, and the superionic conducting Li 7P 3S 11 crystal was precipitated in the glass-ceramic. The glass-ceramic with 1 mol% of P 2S 3 showed the highest conductivity of 3.9 × 10 -3 S cm -1 at room temperature.

  9. Duality invariance of s3/2 fermions in AdS

    DOE PAGES

    Deser, S.; Seminara, D.

    2014-09-30

    The research show that in D = 4 AdS, s3/2 partially massless (PM) fermions retain the duality invariances of their flat space massless counterparts. They have tuned ratios m 2/M 2 ≠ 0 that turn them into sums of effectively massless unconstrained helicity ±(s, ···, 3/2) excitations, shorn of the lowest (non-dual) helicity ±1/2-rung and — more generally — of succeeding higher rung as well. Each helicity mode is separately duality invariant, like its flat space counterpart.

  10. Fast-Solving Quasi-Optimal LS-S3VM Based on an Extended Candidate Set.

    PubMed

    Ma, Yuefeng; Liang, Xun; Kwok, James T; Li, Jianping; Zhou, Xiaoping; Zhang, Haiyan

    2018-04-01

    The semisupervised least squares support vector machine (LS-S 3 VM) is an important enhancement of least squares support vector machines in semisupervised learning. Given that most data collected from the real world are without labels, semisupervised approaches are more applicable than standard supervised approaches. Although a few training methods for LS-S 3 VM exist, the problem of deriving the optimal decision hyperplane efficiently and effectually has not been solved. In this paper, a fully weighted model of LS-S 3 VM is proposed, and a simple integer programming (IP) model is introduced through an equivalent transformation to solve the model. Based on the distances between the unlabeled data and the decision hyperplane, a new indicator is designed to represent the possibility that the label of an unlabeled datum should be reversed in each iteration during training. Using the indicator, we construct an extended candidate set consisting of the indices of unlabeled data with high possibilities, which integrates more information from unlabeled data. Our algorithm is degenerated into a special scenario of the previous algorithm when the extended candidate set is reduced into a set with only one element. Two strategies are utilized to determine the descent directions based on the extended candidate set. Furthermore, we developed a novel method for locating a good starting point based on the properties of the equivalent IP model. Combined with the extended candidate set and the carefully computed starting point, a fast algorithm to solve LS-S 3 VM quasi-optimally is proposed. The choice of quasi-optimal solutions results in low computational cost and avoidance of overfitting. Experiments show that our algorithm equipped with the two designed strategies is more effective than other algorithms in at least one of the following three aspects: 1) computational complexity; 2) generalization ability; and 3) flexibility. However, our algorithm and other algorithms have

  11. Comparison of Sirtuin 3 Levels in ALS and Huntington’s Disease—Differential Effects in Human Tissue Samples vs. Transgenic Mouse Models

    PubMed Central

    Buck, Eva; Bayer, Hanna; Lindenberg, Katrin S.; Hanselmann, Johannes; Pasquarelli, Noemi; Ludolph, Albert C.; Weydt, Patrick; Witting, Anke

    2017-01-01

    Neurodegenerative diseases are characterized by distinct patterns of neuronal loss. In amyotrophic lateral sclerosis (ALS) upper and lower motoneurons degenerate whereas in Huntington’s disease (HD) medium spiny neurons in the striatum are preferentially affected. Despite these differences the pathophysiological mechanisms and risk factors are remarkably similar. In addition, non-neuronal features, such as weight loss implicate a dysregulation in energy metabolism. Mammalian sirtuins, especially the mitochondrial NAD+ dependent sirtuin 3 (SIRT3), regulate mitochondrial function and aging processes. SIRT3 expression depends on the activity of the metabolic master regulator peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PGC-1α), a modifier of ALS and HD in patients and model organisms. This prompted us to systematically probe Sirt3 mRNA and protein levels in mouse models of ALS and HD and to correlate these with patient tissue levels. We found a selective reduction of Sirt3 mRNA levels and function in the cervical spinal cord of end-stage ALS mice (superoxide dismutase 1, SOD1G93A). In sharp contrast, a tendency to increased Sirt3 mRNA levels was found in the striatum in HD mice (R6/2). Cultured primary neurons express the highest levels of Sirt3 mRNA. In primary cells from PGC-1α knock-out (KO) mice the Sirt3 mRNA levels were highest in astrocytes. In human post mortem tissue increased mRNA and protein levels of Sirt3 were found in the spinal cord in ALS, while Sirt3 levels were unchanged in the human HD striatum. Based on these findings we conclude that SIRT3 mediates the different effects of PGC-1α during the course of transgenic (tg) ALS and HD and in the human conditions only partial aspects Sirt3 dysregulation manifest. PMID:28603486

  12. Theoretical study of the hyperfine-interaction constants and the isotope-shift factors for the 3 s21S0-3 s 3 p 3,1P1o transitions in Al+

    NASA Astrophysics Data System (ADS)

    Zhang, Tingxian; Xie, Luyou; Li, Jiguang; Lu, Zehuang

    2017-07-01

    We calculated the magnetic dipole and the electric quadrupole hyperfine interaction constants of 3 s 3 p 3,1P1o states and the isotope shift, including mass and field shift, factors for transitions from these two states to the ground state 3 s 2 1S0 in Al+ ions using the multiconfiguration Dirac-Hartree-Fock method. The effects of the electron correlations and the Breit interaction on these physical quantities were investigated in detail based on the active space approach. It is found that the core-core and the higher order correlations are considerable for evaluating the uncertainties of the atomic parameters concerned. The uncertainties of the hyperfine interaction constants in this work are less than 1.6%. Although the isotope shift factors are highly sensitive to the electron correlations, reasonable uncertainties were obtained by exploring the effects of the electron correlations. Moreover, we found that the relativistic nuclear recoil corrections to the mass shift factors are very small and insensitive to the electron correlations for Al+. These atomic parameters present in this work are valuable for extracting the nuclear electric quadrupole moments and the mean-square charge radii of Al isotopes.

  13. Absolute cross section for electron-impact ionization of He (1 s 2 s 3S)

    NASA Astrophysics Data System (ADS)

    Génévriez, Matthieu; Jureta, Jozo J.; Defrance, Pierre; Urbain, Xavier

    2017-07-01

    We present an experimental determination of the electron-impact ionization cross section of the 1 s 2 s 3S state of helium, for which there is a serious long-lasting discrepancy between theory and experiment. A technique for the production of a fast, intense beam of helium in the 1 s 2 s 3S state only has been developed for this purpose, based on photodetachment of the He- anion. The cross section is measured using the animated crossed beam technique. The present results are much lower than the experimental data of Dixon et al. [J. Phys. B 9, 2617 (1976), 10.1088/0022-3700/9/15/013] and are in excellent agreement with the calculation of Fursa and Bray [J. Phys. B 36, 1663 (2003), 10.1088/0953-4075/36/8/317].

  14. S3/S4 Integrated Truss being moved into the Space Shuttle Payloa

    NASA Image and Video Library

    2007-02-07

    In the Space Station Processing Facility, an overhead crane moves the S3/S4 integrated truss to a payload canister. After it is stowed in the canister, the S3/S4 truss will be transported to the launch pad. The truss is the payload on mission STS-117, targeted for launch on March 15.

  15. S3/S4 Integrated Truss being moved into the Space Shuttle Payloa

    NASA Image and Video Library

    2007-02-07

    In the Space Station Processing Facility, an overhead crane settles the S3/S4 integrated truss into the payload canister. After it is stowed in the canister, the S3/S4 truss will be transported to the launch pad. The truss is the payload on mission STS-117, targeted for launch on March 15.

  16. The I3E Model for Embedding Education for Sustainability within Higher Education Institutions

    ERIC Educational Resources Information Center

    Cebrián, Gisela

    2018-01-01

    This paper presents an evidence-based model (the I3E model) for embedding education for sustainability (EfS) within a higher education institution. This model emerged from a doctoral research that examined organisational learning and change processes at the University of Southampton to build EfS into the university curriculum. The researcher aimed…

  17. Feline Immunodeficiency Virus Vif N-Terminal Residues Selectively Counteract Feline APOBEC3s.

    PubMed

    Gu, Qinyong; Zhang, Zeli; Cano Ortiz, Lucía; Franco, Ana Cláudia; Häussinger, Dieter; Münk, Carsten

    2016-12-01

    Feline immunodeficiency virus (FIV) Vif protein counteracts feline APOBEC3s (FcaA3s) restriction factors by inducing their proteasomal degradation. The functional domains in FIV Vif for interaction with FcaA3s are poorly understood. Here, we have identified several motifs in FIV Vif that are important for selective degradation of different FcaA3s. Cats (Felis catus) express three types of A3s: single-domain A3Z2, single-domain A3Z3, and double-domain A3Z2Z3. We proposed that FIV Vif would selectively interact with the Z2 and the Z3 A3s. Indeed, we identified two N-terminal Vif motifs (12LF13 and 18GG19) that specifically interacted with the FcaA3Z2 protein but not with A3Z3. In contrast, the exclusive degradation of FcaA3Z3 was regulated by a region of three residues (M24, L25, and I27). Only a FIV Vif carrying a combination of mutations from both interaction sites lost the capacity to degrade and counteract FcaA3Z2Z3. However, alterations in the specific A3s interaction sites did not affect the cellular localization of the FIV Vif protein and binding to feline A3s. Pulldown experiments demonstrated that the A3 binding region localized to FIV Vif residues 50 to 80, outside the specific A3 interaction domain. Finally, we found that the Vif sites specific to individual A3s are conserved in several FIV lineages of domestic cat and nondomestic cats, while being absent in the FIV Vif of pumas. Our data support a complex model of multiple Vif-A3 interactions in which the specific region for selective A3 counteraction is discrete from a general A3 binding domain. Both human immunodeficiency virus (HIV) and feline immunodeficiency virus (FIV) Vif proteins counteract their host's APOBEC3 restriction factors. However, these two Vif proteins have limited sequence homology. The molecular interaction between FIV Vif and feline APOBEC3s are not well understood. Here, we identified N-terminal FIV Vif sites that regulate the selective interaction of Vif with either feline APOBEC3Z

  18. Feline Immunodeficiency Virus Vif N-Terminal Residues Selectively Counteract Feline APOBEC3s

    PubMed Central

    Gu, Qinyong; Zhang, Zeli; Cano Ortiz, Lucía; Franco, Ana Cláudia; Häussinger, Dieter

    2016-01-01

    ABSTRACT Feline immunodeficiency virus (FIV) Vif protein counteracts feline APOBEC3s (FcaA3s) restriction factors by inducing their proteasomal degradation. The functional domains in FIV Vif for interaction with FcaA3s are poorly understood. Here, we have identified several motifs in FIV Vif that are important for selective degradation of different FcaA3s. Cats (Felis catus) express three types of A3s: single-domain A3Z2, single-domain A3Z3, and double-domain A3Z2Z3. We proposed that FIV Vif would selectively interact with the Z2 and the Z3 A3s. Indeed, we identified two N-terminal Vif motifs (12LF13 and 18GG19) that specifically interacted with the FcaA3Z2 protein but not with A3Z3. In contrast, the exclusive degradation of FcaA3Z3 was regulated by a region of three residues (M24, L25, and I27). Only a FIV Vif carrying a combination of mutations from both interaction sites lost the capacity to degrade and counteract FcaA3Z2Z3. However, alterations in the specific A3s interaction sites did not affect the cellular localization of the FIV Vif protein and binding to feline A3s. Pulldown experiments demonstrated that the A3 binding region localized to FIV Vif residues 50 to 80, outside the specific A3 interaction domain. Finally, we found that the Vif sites specific to individual A3s are conserved in several FIV lineages of domestic cat and nondomestic cats, while being absent in the FIV Vif of pumas. Our data support a complex model of multiple Vif-A3 interactions in which the specific region for selective A3 counteraction is discrete from a general A3 binding domain. IMPORTANCE Both human immunodeficiency virus (HIV) and feline immunodeficiency virus (FIV) Vif proteins counteract their host's APOBEC3 restriction factors. However, these two Vif proteins have limited sequence homology. The molecular interaction between FIV Vif and feline APOBEC3s are not well understood. Here, we identified N-terminal FIV Vif sites that regulate the selective interaction of Vif with

  19. Tyrosine-Based 1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine and -adenine ((S)-HPMPC and (S)-HPMPA) Prodrugs: Synthesis, Stability, Antiviral Activity and in Vivo Transport Studies

    PubMed Central

    Zakharova, Valeria M.; Serpi, Michaela; Krylov, Ivan S.; Peterson, Larryn W.; Breitenbach, Julie M.; Borysko, Katherine Z.; Drach, John C.; Collins, Mindy; Hilfinger, John M.; Kashemirov, Boris A.; McKenna, Charles E.

    2011-01-01

    Eight novel single amino acid (6–11) and dipeptide (12, 13) tyrosine P-O esters of cyclic cidofovir ((S)-cHPMPCa, 4) and its cyclic adenine analog ((S)-cHPMPA, 3) were synthesized and evaluated as prodrugs. In vitro IC50 values for the prodrugs vs vaccinia, cowpox, human cytomegalo- and herpes simplex type 1 viruses were similar to those for the parent drugs ((S)-HPMPC, 2, (S)-HPMPA, 1; IC50 0.3 – 30 µM); there were no cytoxicity with KB or HFF cells at ≤ 100 µM. The prodrugs exhibited a wide range of half-lives in rat intestinal homogenate at pH 6.5 (<30 – 1732 min) with differences of 3–10× between phostonate diastereomers. The tyrosine-alkylamide derivatives of 3 and 4 were the most stable. (L)-Tyr-NHiBu cHPMPA (11) was converted in rat or mouse plasma solely to two active metabolites and had significantly enhanced oral bioavailability vs parent drug 1 in a mouse model (39 % vs <5 %). PMID:21812420

  20. Mineralogic Model (MM3.0) Analysis Model Report

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    C. Lum

    2002-02-12

    The purpose of this report is to document the Mineralogic Model (MM), Version 3.0 (MM3.0) with regard to data input, modeling methods, assumptions, uncertainties, limitations and validation of the model results, qualification status of the model, and the differences between Version 3.0 and previous versions. A three-dimensional (3-D) Mineralogic Model was developed for Yucca Mountain to support the analyses of hydrologic properties, radionuclide transport, mineral health hazards, repository performance, and repository design. Version 3.0 of the MM was developed from mineralogic data obtained from borehole samples. It consists of matrix mineral abundances as a function of x (easting), y (northing),more » and z (elevation), referenced to the stratigraphic framework defined in Version 3.1 of the Geologic Framework Model (GFM). The MM was developed specifically for incorporation into the 3-D Integrated Site Model (ISM). The MM enables project personnel to obtain calculated mineral abundances at any position, within any region, or within any stratigraphic unit in the model area. The significance of the MM for key aspects of site characterization and performance assessment is explained in the following subsections. This work was conducted in accordance with the Development Plan for the MM (CRWMS M&O 2000). The planning document for this Rev. 00, ICN 02 of this AMR is Technical Work Plan, TWP-NBS-GS-000003, Technical Work Plan for the Integrated Site Model, Process Model Report, Revision 01 (CRWMS M&O 2000). The purpose of this ICN is to record changes in the classification of input status by the resolution of the use of TBV software and data in this report. Constraints and limitations of the MM are discussed in the appropriate sections that follow. The MM is one component of the ISM, which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components

  1. S3/S4 Integrated Truss being moved into the Space Shuttle Payloa

    NASA Image and Video Library

    2007-02-07

    In the Space Station Processing Facility, an overhead crane lowers the S3/S4 integrated truss into the open bay of the payload canister. After it is stowed in the canister, the S3/S4 truss will be transported to the launch pad. The truss is the payload on mission STS-117, targeted for launch on March 15.

  2. S3/S4 Integrated Truss being moved into the Space Shuttle Payloa

    NASA Image and Video Library

    2007-02-07

    In the Space Station Processing Facility, an overhead crane lowers the S3/S4 integrated truss toward the open doors of the payload canister. After it is stowed in the canister, the S3/S4 truss will be transported to the launch pad. The truss is the payload on mission STS-117, targeted for launch on March 15.

  3. S3/S4 Integrated Truss being moved into the Space Shuttle Payloa

    NASA Image and Video Library

    2007-02-07

    In the Space Station Processing Facility, workers attach an overhead crane to the S3/S4 integrated truss in order to move it to the payload canister. After it is stowed in the canister, the S3/S4 truss will be transported to the launch pad. The truss is the payload on mission STS-117, targeted for launch on March 15.

  4. Differential inhibition of Ca2+ channels in mature rat cerebellar Purkinje cells by sFTX-3.3 and FTX-3.3.

    PubMed

    Dupere, J R; Moya, E; Blagbrough, I S; Usowicz, M M

    1996-01-01

    Synthetic funnel web spider toxin (sFTX-3.3) is a polyamine amide analogue of FTX, a toxin fraction isolated from the venom of the funnel web spider, Agelenopsis aperta, that blocks P-type Ca2+ channels. The structures of these polyamine containing compounds are not identical: sFTX-3.3 contains an amide carbonyl oxygen that is absent from the predicted structure of native FTX. Recently, a compound called FTX-3.3 was synthesized with the structure predicted for native FTX. We have compared the effects of polyamine amide sFTX-3.3 and polyamine FTX-3.3, on Ca2+ channel currents in the soma of mature rat cerebellar Purkinje neurons, in which the predominant Ca2+ channels are defined as P-type. Differential inhibition by sFTX-3.3 and FTX-3.3 revealed three populations of Ca2+ channels. One group, mediating approximately 66% of the current, was blocked by sFTX-3.3 with an IC50 (concentration producing half maximal inhibition) of 33 nM or by FTX-3.3 with an IC50 of 55 pM. A second population (5-25% of the total current) was inhibited by sFTX-3.3 with an IC50 of 33 nM, but was insensitive to FTX-3.3, while a third (10-30%) was blocked by FTX-3.3 with an IC50 of 125 nM and was resistant to sFTX-3.3. These channels also showed distinctive current-voltage relationships. Our results suggest that P-type Ca2+ channels in mature rat cerebellar Purkinje cells may be subdivided according to pharmacological and biophysical properties.

  5. Supervisor's Interactive Model of Organizational Relationships

    ERIC Educational Resources Information Center

    O'Reilly, Frances L.; Matt, John; McCaw, William P.

    2014-01-01

    The Supervisor's Interactive Model of Organizational Relationships (SIMOR) integrates two models addressed in the leadership literature and then highlights the importance of relationships. The Supervisor's Interactive Model of Organizational Relationships combines the modified Hersey and Blanchard model of situational leadership, the…

  6. Complex crustal structures: their 3D grav/mag modelling and 3D printing

    NASA Astrophysics Data System (ADS)

    Götze, Hans-Jürgen; Schmidt, Sabine; Menzel, Peter

    2017-04-01

    Our new techniques for modelling and visualization are user-friendly because they are highly interactive, ideally real-time and topology conserving and can be used for both flat and spherical models in 3D. These are important requirements for joint inversion for gravity and magnetic modelling of fields and their derivatives, constrained by seismic and structural input from independent data sources. A borehole tool for magnetic and gravity modelling will also be introduced. We are already close to satisfying the demand of treating several geophysical methods in a single model for subsurface evaluation purposes and aim now for fulfilling most of the constraints: consistency of modelling results and measurements and geological plausibility as well. For 3D modelling, polyhedrons built by triangles are used. All elements of the gravity and magnetic tensors can be included. In the modelling interface, after geometry changes the effect on the model is quickly updated because only the changed triangles have to be recalculated. Because of the triangular model structure, our approach can handle complex structures very well and flexible (e.g. overhangs of salt domes or plumes). For regional models, the use of spherical geometries and calculations is necessary and available. 3D visualization is performed with a 3D-printer (Ultimaker 2) and gives new insights into even rather complicated Earth subsurface structures. Inversion can either be run over the whole model, but typically it is used in smaller parts of the model, helping to solve local problems and/or proving/disproving local hypotheses. The basic principles behind this interactive approach are high performance optimized algorithms (CMA-ES: Covariance-matrix-adoption-evolution-strategy). The efficiency of the algorithm is rather good in terms of stable convergence due to topological model validity. Potential field modelling is always influenced by edge effects. To avoid this, a simple but very robust method has been

  7. MJO prediction skill of the subseasonal-to-seasonal (S2S) prediction models

    NASA Astrophysics Data System (ADS)

    Son, S. W.; Lim, Y.; Kim, D.

    2017-12-01

    The Madden-Julian Oscillation (MJO), the dominant mode of tropical intraseasonal variability, provides the primary source of tropical and extratropical predictability on subseasonal to seasonal timescales. To better understand its predictability, this study conducts quantitative evaluation of MJO prediction skill in the state-of-the-art operational models participating in the subseasonal-to-seasonal (S2S) prediction project. Based on bivariate correlation coefficient of 0.5, the S2S models exhibit MJO prediction skill ranging from 12 to 36 days. These prediction skills are affected by both the MJO amplitude and phase errors, the latter becoming more important with forecast lead times. Consistent with previous studies, the MJO events with stronger initial amplitude are typically better predicted. However, essentially no sensitivity to the initial MJO phase is observed. Overall MJO prediction skill and its inter-model spread are further related with the model mean biases in moisture fields and longwave cloud-radiation feedbacks. In most models, a dry bias quickly builds up in the deep tropics, especially across the Maritime Continent, weakening horizontal moisture gradient. This likely dampens the organization and propagation of MJO. Most S2S models also underestimate the longwave cloud-radiation feedbacks in the tropics, which may affect the maintenance of the MJO convective envelop. In general, the models with a smaller bias in horizontal moisture gradient and longwave cloud-radiation feedbacks show a higher MJO prediction skill, suggesting that improving those processes would enhance MJO prediction skill.

  8. ElarmS Earthquake Early Warning System: 2017 Performance and New ElarmS Version 3.0 (E3)

    NASA Astrophysics Data System (ADS)

    Chung, A. I.; Henson, I. H.; Allen, R. M.; Hellweg, M.; Neuhauser, D. S.

    2017-12-01

    The ElarmS earthquake early warning (EEW) system has been successfully detecting earthquakes throughout California since 2007. ElarmS version 2.0 (E2) is one of the three algorithms contributing alerts to ShakeAlert, a public EEW system being developed by the USGS in collaboration with UC Berkeley, Caltech, University of Washington, and University of Oregon. E2 began operating in test mode in the Pacific Northwest in 2013, and since April of this year E2 has been contributing real-time alerts from Oregon and Washington to the ShakeAlert production prototype system as part of the ShakeAlert roll-out throughout the West Coast. Since it began operating west-coast-wide, E2 has correctly alerted on 5 events that matched ANSS catalog events with M≥4, missed 1 event with M≥4, and incorrectly created alerts for 5 false events with M≥4. The most recent version of the algorithm, ElarmS version 3.0 (E3), is a significant improvement over E2. It addresses some of the most problematic causes of false events for which E2 produced alerts, without impacting reliability in terms of matched and missed events. Of the 5 false events that were generated by E2 since April, 4 would have been suppressed by E3. In E3, we have added a filterbank teleseismic filter. By analyzing the amplitude of the waveform filtered in various passbands, it is possible to distinguish between local and teleseismic events. We have also added a series of checks to validate triggers and filter out spurious and S-wave triggers. Additional improvements to the waveform associator also improve detections. In this presentation, we describe the improvements and compare the performance of the current production (E2) and development (E3) versions of ElarmS over the past year. The ShakeAlert project is now working through a streamlining process to identify the best components of various algorithms and merge them. The ElarmS team is participating in this effort and we anticipate that much of E3 will continue in the

  9. Temperature-Dependent Kinetics Studies of the Reactions Br((sup 2)P3/2) + H2S yields SH + HBr and Br((sup 2)P3/2) + CH3SH yields CH3S + HBr. Heats of Formation of SH and CH3S Radicals

    NASA Technical Reports Server (NTRS)

    Nicovich, J. M.; Kreutter, K. D.; vanDijk, C. A.; Wine, P. H.

    1997-01-01

    Time resolved resonance fluorescence detection of Br(sup 2)P3/2) atom disappearance or appearance following 266-nm laser flash photolysis of CF2Br2/H2S/H2/N2, CF2Br2/CH3SH/H2/N2, Cl2CO/H2S/HBr/N2, and CH3SSCH3/HBr/H2/N2 mixtures has been employed to study the kinetics of the reactions Br((sup 2)P3/2) + H2S = SH + HBr (1,-1) and Br((sup2)P3/2) + CH3SH = CH3S + HBr (2, -2) as a function of temperature over the range 273-431K. Arrhenius expressions in units of 10(exp -12) cu cm/molecule/s which describe the results are k1 = (14.2 +/- 3.4) exp[(-2752 +/- 90)/T],(k-1) = (4.40 +/- 0.92) exp[(-971 +/- 73)/T],k(2) = (9.24 +/- 1.15) exp[(-386 +/- 41)/T], and k(-2) = (1.46 +/-0.21) exp[(-399 +/-41)/T; errors are 2 sigma and represent precision only. By examining Br((sup 2)P3/2) equilibrium kinetics following 355nm laser flash photolysis of Br2/CH3SH/H2/N2 mixtures, a 298 K rate coefficient of (1.7 +/- 0.5) x 10(exp -10) cu cm/molecule/s has been obtained for the reaction CH3S + Br2 yields CH3SBr + Br. To our knowledge, these are the first kinetic data reported for each of the reactions studied. Measured rate coefficients, along with known rate coefficients for similar radical + H2S, CH3SH, HBr,Br2 reactions are considered in terms of possible correlations of reactivity with reaction thermochemistry and with IP - EA, the difference between the ionization potential of the electron donor and the electron affinity of the electron acceptor. Both thermochemical and charge-transfer effects appear to be important in controlling observed reactivities. Second and third law analyses of the equilibrium data for reactions 1 and 2 have been employed to obtain the following enthalpies of reaction in units of kcal/mol: for reaction 1, Delta-H(298) = 3.64 +/- 0.43 and Delta-H(0) = 3.26 +/-0.45; for reaction 2, Delta-H(298) = -0.14 +/- 0.28 and Delta-H(0) = -0.65 +/- 0.36. Combining the above enthalpies of reaction with the well-known heats of formation of Br, HBr, H2S, and CH3SH gives the

  10. Thermodynamic Studies on NdFeO 3(s)

    NASA Astrophysics Data System (ADS)

    Parida, S. C.; Dash, Smruti; Singh, Ziley; Prasad, R.; Jacob, K. T.; Venugopal, V.

    2002-02-01

    The enthalpy increments and the standard molar Gibbs energy of formation of NdFeO3(s) have been measured using a high-temperature Calvet microcalorimeter and a solid oxide galvanic cell, respectively. A λ-type transition, related to magnetic order-disorder transformation (antiferromagnetic to paramagnetic), is apparent from the heat capacity data at ∼687 K. Enthalpy increments, except in the vicinity of transition, can be represented by a polynomial expression: {H°m(T)-H°m(298.15 K)}/J·mol-1 (±0.7%)=-53625.6+146.0(T/K) +1.150×10-4(T/K)2 +3.007×106(T/K)-1; (298.15≤T/K ≤1000). The heat capacity, the first differential of {H°m(T)-H°m(298.15 K)} with respect to temperature, is given by Cop, m/J·K-1·mol-1=146.0+2.30×10-4(T/K)-3.007×106(T/K)-2. The reversible emf's of the cell, (-) Pt/{NdFeO3(s) +Nd2O3(s)+Fe(s)}//YDT/CSZ//{Fe(s)'FeO'(s)}/Pt(+), were measured in the temperature range from 1004 to 1208 K. It can be represented within experimental error by a linear equation: E/V:(0.1418±0.0003)-(3.890±0.023)×10-5(T/K). The Gibbs energy of formation of solid NdFeO3 calculated by the least-squares regression analysis of the data obtained in the present study, and data for Fe0.95O and Nd2O3 from the literature, is given by ΔfG°m(NdFeO3, s)/kJ·mol-1(±2.0)=-1345.9+0.2542(T/K); (1000≤T/K ≤1650). The error in ΔfG°m(NdFeO3, s, T) includes the standard deviation in emf and the uncertainty in the data taken from the literature. Values of ΔfH°m(NdFeO3, s, 298.15 K) and S°m(NdFeO3, s, 298.15 K) calculated by the second law method are -1362.5 (±6) kJ·mol-1 and 123.9 (±2.5) J·K-1·mol-1, respectively. Based on the thermodynamic information, an oxygen potential diagram for the system Nd-Fe-O was developed at 1350 K.

  11. Multitemporal Modelling of Socio-Economic Wildfire Drivers in Central Spain between the 1980s and the 2000s: Comparing Generalized Linear Models to Machine Learning Algorithms

    PubMed Central

    Vilar, Lara; Gómez, Israel; Martínez-Vega, Javier; Echavarría, Pilar; Riaño, David; Martín, M. Pilar

    2016-01-01

    The socio-economic factors are of key importance during all phases of wildfire management that include prevention, suppression and restoration. However, modeling these factors, at the proper spatial and temporal scale to understand fire regimes is still challenging. This study analyses socio-economic drivers of wildfire occurrence in central Spain. This site represents a good example of how human activities play a key role over wildfires in the European Mediterranean basin. Generalized Linear Models (GLM) and machine learning Maximum Entropy models (Maxent) predicted wildfire occurrence in the 1980s and also in the 2000s to identify changes between each period in the socio-economic drivers affecting wildfire occurrence. GLM base their estimation on wildfire presence-absence observations whereas Maxent on wildfire presence-only. According to indicators like sensitivity or commission error Maxent outperformed GLM in both periods. It achieved a sensitivity of 38.9% and a commission error of 43.9% for the 1980s, and 67.3% and 17.9% for the 2000s. Instead, GLM obtained 23.33, 64.97, 9.41 and 18.34%, respectively. However GLM performed steadier than Maxent in terms of the overall fit. Both models explained wildfires from predictors such as population density and Wildland Urban Interface (WUI), but differed in their relative contribution. As a result of the urban sprawl and an abandonment of rural areas, predictors like WUI and distance to roads increased their contribution to both models in the 2000s, whereas Forest-Grassland Interface (FGI) influence decreased. This study demonstrates that human component can be modelled with a spatio-temporal dimension to integrate it into wildfire risk assessment. PMID:27557113

  12. Multitemporal Modelling of Socio-Economic Wildfire Drivers in Central Spain between the 1980s and the 2000s: Comparing Generalized Linear Models to Machine Learning Algorithms.

    PubMed

    Vilar, Lara; Gómez, Israel; Martínez-Vega, Javier; Echavarría, Pilar; Riaño, David; Martín, M Pilar

    2016-01-01

    The socio-economic factors are of key importance during all phases of wildfire management that include prevention, suppression and restoration. However, modeling these factors, at the proper spatial and temporal scale to understand fire regimes is still challenging. This study analyses socio-economic drivers of wildfire occurrence in central Spain. This site represents a good example of how human activities play a key role over wildfires in the European Mediterranean basin. Generalized Linear Models (GLM) and machine learning Maximum Entropy models (Maxent) predicted wildfire occurrence in the 1980s and also in the 2000s to identify changes between each period in the socio-economic drivers affecting wildfire occurrence. GLM base their estimation on wildfire presence-absence observations whereas Maxent on wildfire presence-only. According to indicators like sensitivity or commission error Maxent outperformed GLM in both periods. It achieved a sensitivity of 38.9% and a commission error of 43.9% for the 1980s, and 67.3% and 17.9% for the 2000s. Instead, GLM obtained 23.33, 64.97, 9.41 and 18.34%, respectively. However GLM performed steadier than Maxent in terms of the overall fit. Both models explained wildfires from predictors such as population density and Wildland Urban Interface (WUI), but differed in their relative contribution. As a result of the urban sprawl and an abandonment of rural areas, predictors like WUI and distance to roads increased their contribution to both models in the 2000s, whereas Forest-Grassland Interface (FGI) influence decreased. This study demonstrates that human component can be modelled with a spatio-temporal dimension to integrate it into wildfire risk assessment.

  13. Chemical bath deposition of Cu{sub 3}BiS{sub 3} thin films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Deshmukh, S.G., E-mail: deshmukhpradyumn@gmail.com; Vipul, Kheraj, E-mail: vipulkheraj@gmail.com; Panchal, A.K.

    2016-05-06

    First time, copper bismuth sulfide (Cu{sub 3}BiS{sub 3}) thin films were synthesized on the glass substrate using simple, low-cost chemical bath deposition (CBD) technique. The synthesized parameters such as temperature of bath, pH and concentration of precursors were optimized for the deposition of uniform, well adherent Cu{sub 3}BiS{sub 3} thin films. The optical, surface morphology and structural properties of the Cu{sub 3}BiS{sub 3} thin films were studied using UV-VIS-NIR spectra, scanning electron microscopy (SEM) and X-ray diffraction (XRD). The as- synthesized Cu{sub 3}BiS{sub 3} film exhibits a direct band gap 1.56 to 1.58 eV having absorption coefficient of the ordermore » of 10{sup 5} cm{sup −1}. The XRD declares the amorphous nature of the films. SEM images shows films were composed of close-packed fine spherical nanoparticles of 70-80 nm in diameter. The chemical composition of the film was almost stoichiometric. The optical study indicates that the Cu{sub 3}BiS{sub 3} films can be applied as an absorber layer for thin film solar cells.« less

  14. Therapeutic Effects of S-Petasin on Disease Models of Asthma and Peritonitis

    PubMed Central

    Lee, Kyoung-Pil; Kang, Saeromi; Noh, Min-Soo; Park, Soo-Jin; Kim, Jung-Min; Chung, Hae Young; Je, Nam Kyung; Lee, Young-Geun; Choi, Young-Whan; Im, Dong-Soon

    2015-01-01

    To explore the anti-allergic and anti-inflammatory effects of extracts of Petasites genus, we studied the effects of s-petasin, a major sesquiterpene from Petasites formosanus (a butterbur species) on asthma and peritonitis models. In an ovalbumin-induced mouse asthma model, s-petasin significantly inhibited the accumulations of eosinophils, macrophages, and lymphocytes in bronchoalveolar fluids. S-petasin inhibited the antigen-induced degranulation of β-hexosamidase but did not inhibit intracellular Ca2+ increase in RBL-2H3 mast cells. S-petasin inhibited the LPS induction of iNOS at the RNA and protein levels in mouse peritoneal macrophages. Furthermore, s-petasin inhibited the production of NO (the product of iNOS) in a concentration-dependent manner in the macrophages. Furthermore, in an LPS-induced mouse model of peritonitis, s-petasin significantly inhibited the accumulation of polymorpho nuclear and mononuclear leukocytes in peritoneal cavity. This study shows that s-petasin in Petasites genus has therapeutic effects on allergic and inflammatory diseases, such as, asthma and peritonitis through degranulation inhibition in mast cells, suppression of iNOS induction and production of NO in macrophages, and suppression of inflammatory cell accumulation. PMID:25593643

  15. Structure and Electrical Conductivity of AgTaS 3

    NASA Astrophysics Data System (ADS)

    Kim, Changkeun; Yun, Hoseop; Lee, Youngju; Shin, Heekyoon; Liou, Kwangkyoung

    1997-09-01

    Single crystals of the compound AgTaS 3have been prepared through reactions of the elements with halide mixtures. The structure of AgTaS 3has been analyzed by single-crystal X-ray diffraction methods. AgTaS 3crystallizes in the space group D172h- Cmcmof the orthorhombic system with four formula units in a cell of dimensions a=3.378(2), b=14.070(5), c=7.756(3) Å. The structure of AgTaS 3consists of two-dimensional 2∞[TaS -3] layers separated by Ag +cations. The layer is composed of Ta-centered bicapped trigonal prisms stacked on top of each other by sharing triangular faces. These chains are linked to form the infinite two-dimensional 2∞[TaS -3] slabs. These layers are held together through van der Waals interactions, and Ag +ions reside in the distorted octahedral sites between the layers. The temperature dependence of the electrical conductivity along the needle axis of AgTaS 3shows the typical behavior of an extrinsic semiconductor.

  16. 3D General Circulation Model of the Middle Atmosphere of Jupiter

    NASA Astrophysics Data System (ADS)

    Zube, Nicholas Gerard; Zhang, Xi; Li, Cheng; Le, Tianhao

    2017-10-01

    The characteristics of Jupiter’s large-scale stratospheric circulation remain largely unknown. Detailed distributions of temperature and photochemical species have been provided by recent observations [1], but have not yet been accurately reproduced by middle atmosphere general circulation models (GCM). Jupiter’s stratosphere and upper troposphere are influenced by radiative forcing from solar insolation and infrared cooling from hydrogen and hydrocarbons, as well as waves propagating from the underlying troposphere [2]. The relative significance of radiative and mechanical forcing on stratospheric circulation is still being debated [3]. Here we present a 3D GCM of Jupiter’s atmosphere with a correlated-k radiative transfer scheme. The simulation results are compared with observations. We analyze the impact of model parameters on the stratospheric temperature distribution and dynamical features. Finally, we discuss future tracer transport and gravity wave parameterization schemes that may be able to accurately simulate the middle atmosphere dynamics of Jupiter and other giant planets.[1] Kunde et al. 2004, Science 305, 1582.[2] Zhang et al. 2013a, EGU General Assembly, EGU2013-5797-2.[3] Conrath 1990, Icarus, 83, 255-281.

  17. S1PR1 is crucial for accumulation of regulatory T cells in tumors via STAT3

    PubMed Central

    Priceman, Saul J.; Shen, Shudan; Wang, Lin; Deng, Jiehui; Yue, Chanyu; Kujawski, Maciej; Yu, Hua

    2014-01-01

    Summary S1PR1 signaling has been shown to restrain the number and function of Tregs in the periphery under physiological conditions and in colitis models, but its role in regulating tumor-associated T cells is unknown. Here, we show that S1PR1 signaling in T cells drives Treg accumulation in tumors, limits CD8+ T cell recruitment and activation, and promotes tumor growth. S1PR1 intrinsic in T cells affects Tregs, but not CD8+ T cells, as demonstrated by adoptive transfer models and transient pharmacological S1PR1 modulation. We further investigated the molecular mechanism(s) underlying S1PR1-mediated Treg accumulation in tumors, showing that increasing S1PR1 in CD4+ T cells promotes STAT3 activation and JAK/STAT3-dependent Treg tumor migration. Furthermore functionally ablating STAT3 in T cells diminishes tumor-associated Treg accumulation and tumor growth. Our study demonstrates a stark contrast of the consequences by the same signaling receptor, namely S1PR1, in regulating Tregs in the periphery and in tumors. PMID:24630990

  18. Modular 3-D Transport model

    EPA Science Inventory

    MT3D was first developed by Chunmiao Zheng in 1990 at S.S. Papadopulos & Associates, Inc. with partial support from the U.S. Environmental Protection Agency (USEPA). Starting in 1990, MT3D was released as a pubic domain code from the USEPA. Commercial versions with enhanced capab...

  19. S1PR1 is crucial for accumulation of regulatory T cells in tumors via STAT3.

    PubMed

    Priceman, Saul J; Shen, Shudan; Wang, Lin; Deng, Jiehui; Yue, Chanyu; Kujawski, Maciej; Yu, Hua

    2014-03-27

    S1PR1 signaling has been shown to restrain the number and function of regulatory T (Treg) cells in the periphery under physiological conditions and in colitis models, but its role in regulating tumor-associated T cells is unknown. Here, we show that S1PR1 signaling in T cells drives Treg accumulation in tumors, limits CD8(+) T cell recruitment and activation, and promotes tumor growth. T-cell-intrinsic S1PR1 affects Treg cells, but not CD8(+) T cells, as demonstrated by adoptive transfer models and transient pharmacological S1PR1 modulation. An increase in S1PR1 in CD4(+) T cells promotes STAT3 activation and JAK/STAT3-dependent Treg tumor migration, whereas STAT3 ablation in T cells diminishes tumor-associated Treg accumulation and tumor growth. Our study demonstrates a stark contrast between the consequences of S1PR1 signaling in Treg cells in the periphery versus tumors. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

  20. Realization of the Nersesyan-Tsvelik model in (NO)[Cu(NO3)3

    NASA Astrophysics Data System (ADS)

    Volkova, O.; Morozov, I.; Shutov, V.; Lapsheva, E.; Sindzingre, P.; Cépas, O.; Yehia, M.; Kataev, V.; Klingeler, R.; Büchner, B.; Vasiliev, A.

    2010-08-01

    The topology of the magnetic interactions of the copper spins in the nitrosonium nitratocuprate (NO)[Cu(NO3)3] suggests that it could be a realization of the Nersesyan-Tsvelik model [A. A. Nersesyan and A. M. Tsvelik, Phys. Rev. B 67, 024422 (2003)10.1103/PhysRevB.67.024422], whose ground state was argued to be either a resonating valence-bond state or a valence-bond crystal. The measurement of thermodynamic and magnetic resonance properties reveals a behavior inherent to low-dimensional spin S=(1)/(2) systems and provides indeed no evidence for the formation of long-range magnetic order down to 1.8 K.

  1. The D prostanoid receptor agonist BW245C [(4S)-(3-[(3R,S)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxo)-4-imidazolidineheptanoic acid] inhibits fibroblast proliferation and bleomycin-induced lung fibrosis in mice.

    PubMed

    van den Brule, Sybille; Wallemme, Laurent; Uwambayinema, Francine; Huaux, François; Lison, Dominique

    2010-11-01

    Prostaglandin (PG) D(2) exerts contrasting activities in the inflamed lung via two receptors, the D prostanoid receptor (DP) and the chemoattractant receptor-homologous molecule expressed on T helper 2 lymphocytes. DP activation is known mainly to inhibit proinflammatory cell functions. We tested the effect of a DP-specific agonist, (4S)-(3-[(3R,S)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxo)-4-imidazolidineheptanoic acid (BW245C), on pulmonary fibroblast functions in vitro and in a mouse model of lung fibrosis induced by bleomycin. DP mRNA expression was detected in cultured mouse lung primary fibroblasts and human fetal lung fibroblasts and found to be up- and down-regulated by interleukin-13 and transforming growth factor (TGF)-β, respectively. Although micromolar concentrations of BW245C and PGD(2) did not affect mouse fibroblast collagen synthesis or differentiation in myofibroblasts, they both inhibited fibroblast basal and TGF-β-induced proliferation in vitro. The repeated administration of BW245C (500 nmol/kg body weight instilled transorally in the lungs 2 days before and three times per week for 3 weeks) in bleomycin-treated mice significantly decreased both inflammatory cell recruitment and collagen accumulation in the lung (21 days). Our results indicate that BW245C can reduce lung fibrosis in part via its activity on fibroblast proliferation and suggest that DP activation should be considered as a new therapeutic target in fibroproliferative lung diseases.

  2. Laser gain on 3p-3d and 3s-3p transitions and X-ray line ratios for the nitrogen isoelectronic sequence

    NASA Technical Reports Server (NTRS)

    Feldman, U.; Seely, J. F.; Bhatia, A. K.

    1989-01-01

    Results are presented on calculations of the 72 levels belonging to the 2s(2)2p(3), 2s2p(4), 2p(5), 2s(2)2p(2)3s, 2s(2)2p(2)3p, and 2s(2)2p(2)3d configurations of the N I isoelectronic sequence for the ions Ar XII, Ti XVI, Fe XX, Zn XXIV, and Kr XXX, for electron densities up to 10 to the 24th/cu cm. It was found that large population inversions and gain occur between levels in the 2s(2)2p(2)3p configuration and levels in the 2s(2)2p(2)3d configuration that cannot decay to the ground configuration by an electric dipole transition. For increasing electron densities, the intensities of the X-ray transitions from the 2s(2)2p(2)3p configuration to the ground configuration decrease relative to the transitions from the 2s(2)2p(2)3s and 2s(2)2p(2)3d configurations to the ground configuration. The density dependence of these X-ray line ratios is presented.

  3. Measuring the free neutron lifetime to <= 0.3s via the beam method

    NASA Astrophysics Data System (ADS)

    Fomin, Nadia

    2017-09-01

    Neutron beta decay is an archetype for all semi-leptonic charged-current weak processes. While of interest as a fundamental particle property, a precise value for the neutron lifetime is also required for consistency tests of the Standard Model as well as to calculate the primordial 4He abundance in Big Bang Nucleosynthesis models. An effort has begun to develop an in-beam measurement of the neutron lifetime with a projected <= 0.3s uncertainty. This effort is part of a phased campaign of neutron lifetime measurements based at the NIST Center for Neutron Research, using the Sussex-ILL-NIST technique. Recent advances in neutron fluence measurement techniques as well as new large area silicon detector technology address the two largest sources of uncertainty of in-beam measurements, paving the way for a new measurement. The experimental design and projected uncertainties for the 0.3s measurement will be discussed.

  4. An improved model of the Earth's gravity field - GEM-T3

    NASA Technical Reports Server (NTRS)

    Nerem, R. S.; Lerch, F. J.; Putney, B. H.; Klosko, S. M.; Patel, G. B.; Williamson, R. G.; Pavlis, E. C.

    1992-01-01

    An improved model of the Earth's gravitational field is developed from a combination of conventional satellite tracking, satellite altimeter measurements, and surface gravimetric data (GEM-T3). This model gives improved performance for the computation of satellite orbital effects as well as a superior representation of the geoid from that achieved in any previous Goddard Earth Model. The GEM-T3 model uses altimeter data directly to define the orbits, geoid, and dynamic height fields. Altimeter data acquired during the GEOS-3 (1975-1976), SEASAT (1978), and GEOSAT (1986-1987) missions were used to compute GEM-T3. In order to accommodate the non-gravitational signal mapped by these altimeters, spherical harmonic models of the dynamic height of the ocean surface were recovered for each mission simultaneously with the gravitational field. The tracking data utilized in the solution includes more than 1300 arcs of data encompassing 31 different satellites. The observational data base is highly dependent on SLR, but also includes TRANET Doppler, optical, S-Band average range-rate and satellite-to-satellite tracking acquired between ATS-6 and GEOS-3. The GEM-T3 model has undergone extensive error calibration.

  5. 3D-Printed Craniosynostosis Model: New Simulation Surgical Tool.

    PubMed

    Ghizoni, Enrico; de Souza, João Paulo Sant Ana Santos; Raposo-Amaral, Cassio Eduardo; Denadai, Rafael; de Aquino, Humberto Belém; Raposo-Amaral, Cesar Augusto; Joaquim, Andrei Fernandes; Tedeschi, Helder; Bernardes, Luís Fernando; Jardini, André Luiz

    2018-01-01

    Craniosynostosis is a complex disease once it involves deep anatomic perception, and a minor mistake during surgery can be fatal. The objective of this report is to present novel 3-dimensional-printed polyamide craniosynostosis models that can improve the understanding and treatment complex pathologies. The software InVesalius was used for segmentation of the anatomy image (from 3 patients between 6 and 9 months old). Afterward, the file was transferred to a 3-dimensional printing system and, with the use of an infrared laser, slices of powder PA 2200 were consecutively added to build a polyamide model of cranial bone. The 3 craniosynostosis models allowed fronto-orbital advancement, Pi procedure, and posterior distraction in the operating room environment. All aspects of the craniofacial anatomy could be shown on the models, as well as the most common craniosynostosis pathologic variations (sphenoid wing elevation, shallow orbits, jugular foramen stenosis). Another advantage of our model is its low cost, about 100 U.S. dollars or even less when several models are produced. Simulation is becoming an essential part of medical education for surgical training and for improving surgical safety with adequate planning. This new polyamide craniosynostosis model allowed the surgeons to have realistic tactile feedback on manipulating a child's bone and permitted execution of the main procedures for anatomic correction. It is a low-cost model. Therefore our model is an excellent option for training purposes and is potentially a new important tool to improve the quality of the management of patients with craniosynostosis. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. Retroarc extension in the last 6 Ma in the South-Central Andes (36°S-40°S) evaluated through a 3-D gravity modelling

    NASA Astrophysics Data System (ADS)

    Folguera, A.; Alasonati Tašárová, Z.; Götze, H.-J.; Rojas Vera, E.; Giménez, M.; Ramos, V. A.

    2012-12-01

    The Andean retroarc between 35° and 40°S is the locus of debate regarding its Pliocene to Quaternary tectonic setting. Retroarc volcanic eruptions since 6 Ma to the Present are, based on some hypotheses, associated with widespread extension. In these works, geological data point to the existence of normal faults affecting previous (Late Cretaceous to Miocene) contractional structures. In order to evaluate such interpretations we have collected data from various geological and geophysical studies and scales. Based on these data, an existing large-scale 3-D gravity model could be improved and used to investigate the lithospheric structure of this region. Moreover, using the gravity model, an attenuated crust could be localized and quantified throughout the retroarc area. Deep seismic data available from this region are limited to the forearc - arc area, while in general the retroarc zone lacks deep seismic constraints. The only deep seismic profile extending to the retroarc is a receiver function profile at 39°S, showing crustal attenuation. This observation correlates with the extensional activity recognized at the surface. When analysing the gravity field, positive residual anomalies are observed. They correlate with crustal attenuation at the areas of extension. Also, computed elastic thickness in the retroarc shows good correlation between the areas of crustal stretching and low flexural rigidity, explained by thermal processes. The present extensional deformation reflected in positive residual gravity anomalies points to the influence of reactivated Triassic rifting inherited from early phases of Pangea break-up. Finally, the present local uplift and consequent fluvial incision at the retroarc zone are explained by crustal stretching and not by crustal shortening, the common mechanism in Andean orogenesis.

  7. Integrated Farm System Model Version 4.3 and Dairy Gas Emissions Model Version 3.3 Software development and distribution

    USDA-ARS?s Scientific Manuscript database

    Modeling routines of the Integrated Farm System Model (IFSM version 4.2) and Dairy Gas Emission Model (DairyGEM version 3.2), two whole-farm simulation models developed and maintained by USDA-ARS, were revised with new components for: (1) simulation of ammonia (NH3) and greenhouse gas emissions gene...

  8. Dealing with dissatisfaction in mathematical modelling to integrate QFD and Kano’s model

    NASA Astrophysics Data System (ADS)

    Retno Sari Dewi, Dian; Debora, Joana; Edy Sianto, Martinus

    2017-12-01

    The purpose of the study is to implement the integration of Quality Function Deployment (QFD) and Kano’s Model into mathematical model. Voice of customer data in QFD was collected using questionnaire and the questionnaire was developed based on Kano’s model. Then the operational research methodology was applied to build the objective function and constraints in the mathematical model. The relationship between voice of customer and engineering characteristics was modelled using linier regression model. Output of the mathematical model would be detail of engineering characteristics. The objective function of this model is to maximize satisfaction and minimize dissatisfaction as well. Result of this model is 62% .The major contribution of this research is to implement the existing mathematical model to integrate QFD and Kano’s Model in the case study of shoe cabinet.

  9. U.S. Department of Energy Reference Model Program RM1: Experimental Results.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hill, Craig; Neary, Vincent Sinclair; Gunawan, Budi

    The Reference Model Project (RMP), sponsored by the U.S. Department of Energy’s (DOE) Wind and Water Power Technologies Program within the Office of Energy Efficiency & Renewable Energy (EERE), aims at expediting industry growth and efficiency by providing nonproprietary Reference Models (RM) of MHK technology designs as study objects for opensource research and development (Neary et al. 2014a,b). As part of this program, MHK turbine models were tested in a large open channel facility at the University of Minnesota’s St. Anthony Falls Laboratory (UMN-SAFL). Reference Model 1 (RM1) is a 1:40 geometric scale dual-rotor axial flow horizontal axis device withmore » counter-rotating rotors, each with a rotor diameter dT = 0.5m. Precise blade angular position and torque measurements were synchronized with three acoustic Doppler velocimeters (ADVs) aligned with each rotor and the midpoint for RM1. Flow conditions for each case were controlled such that depth, h = 1m, and volumetric flow rate, Qw = 2.425m3s-1, resulting in a hub height velocity of approximately Uhub = 1.05ms-1 and blade chord length Reynolds numbers of Rec ≈ 3.0x105. Vertical velocity profiles collected in the wake of each device from 1 to 10 rotor diameters are used to estimate the velocity recovery and turbulent characteristics in the wake, as well as the interaction of the counter-rotating rotor wakes. The development of this high resolution laboratory investigation provides a robust dataset that enables assessing turbulence performance models and their ability to accurately predict device performance metrics, including computational fluid dynamics (CFD) models that can be used to predict turbulent inflow environments, reproduce wake velocity deficit, recovery and higher order turbulent statistics, as well as device performance metrics.« less

  10. Adaptation of Porter’s Five Forces Model to Risk Management

    DTIC Science & Technology

    2010-07-01

    The external forces—new entrants, bargaining power of buyers and suppliers, and substitutes—are shown as the threats acting on the industry. FIGURE 2...Planned Actual FIGURE 3. PORTER’S FIVE FORCES MODEL Industry Competitors Intensity of Rivalry Suppliers Buyers Bargaining Power of Suppliers Bargaining... Power of Buyers New Entrants Threat of New Entrants Substitutes Threat of Substitutes 3 7 9 | A Publication of the Defense Acquisition

  11. 3D engineered models for highway construction : the Iowa experience.

    DOT National Transportation Integrated Search

    2015-06-01

    3D engineered modeling is a relatively new and developing technology that can provide numerous bene ts to owners, engineers, : contractors, and the general public. This manual is for highway agencies that are considering or are in the process of s...

  12. New 3D model for dynamics modeling

    NASA Astrophysics Data System (ADS)

    Perez, Alain

    1994-05-01

    The wrist articulation represents one of the most complex mechanical systems of the human body. It is composed of eight bones rolling and sliding along their surface and along the faces of the five metacarpals of the hand and the two bones of the arm. The wrist dynamics are however fundamental for the hand movement, but it is so complex that it still remains incompletely explored. This work is a part of a new concept of computer-assisted surgery, which consists in developing computer models to perfect surgery acts by predicting their consequences. The modeling of the wrist dynamics are based first on the static model of its bones in three dimensions. This 3D model must optimise the collision detection procedure which is the necessary step to estimate the physical contact constraints. As many other possible computer vision models do not fit with enough precision to this problem, a new 3D model has been developed thanks to the median axis of the digital distance map of the bones reconstructed volume. The collision detection procedure is then simplified for contacts are detected between spheres. The experiment of this original 3D dynamic model products realistic computer animation images of solids in contact. It is now necessary to detect ligaments on digital medical images and to model them in order to complete a wrist model.

  13. Laser-induced breakup of helium 3S 1s2s with intermediate doubly excited states

    NASA Astrophysics Data System (ADS)

    Simonsen, A. S.; Bachau, H.; Førre, M.

    2014-02-01

    Solving the time-dependent Schrödinger equation in full dimensionality for two electrons, it is found that in the XUV regime the two-photon double ionization dynamics of He(1s2s) is predominantly dictated by the process of resonance enhanced multiphoton ionization via doubly excited states (DESs). We have studied a pump-probe scenario where the full laser-driven breakup of the 3S 1s2s metastable state is dominated by intermediate quasiresonant excitation to doubly excited (autoionizing) states in the 3Po series. Clear evidence of multipath interference effects is revealed in the resulting angular distributions of the ejected electrons in cases where more than one intermediate DES is populated in the process.

  14. Superconductivity versus structural phase transition in the closely related Bi 2Rh 3.5S 2 and Bi 2Rh 3S 2

    DOE PAGES

    Kaluarachchi, Udhara S.; Xie, Weiwei; Lin, Qisheng; ...

    2015-05-19

    Single crystals of Bi 2Rh 3S 2 and Bi 2Rh 3.5S 2 were synthesized by solution growth, and the crystal structures and thermodynamic and transport properties of both compounds were studied. In the case of Bi 2Rh 3S 2, a structural first-order transition at around 165 K is identified by single-crystal diffraction experiments, with clear signatures visible in resistivity, magnetization, and specific heat data. No superconducting transition for Bi 2Rh 3S 2 was observed down to 0.5 K. In contrast, no structural phase transition at high temperature was observed for Bi 2Rh 3.5S 2; however, bulk superconductivity with a criticalmore » temperature, T c ≈ 1.7 K, was observed. The Sommerfeld coefficient γ and the Debye temperature (Θ D) were found to be 9.41 mJ mol –1K –2 and 209 K, respectively, for Bi 2Rh 3S 2, and 22 mJ mol –1K –2 and 196 K, respectively, for Bi 2Rh 3.5S 2. As a result, the study of the specific heat in the superconducting state of Bi 2Rh 3.5S 2 suggests that Bi 2Rh 3.5S 2 is a weakly coupled, BCS superconductor.« less

  15. DO3SE model applicability and O3 flux performance compared to AOT40 for an O3-sensitive tropical tree species (Psidium guajava L. 'Paluma').

    PubMed

    Assis, Pedro I L S; Alonso, Rocío; Meirelles, Sérgio T; Moraes, Regina M

    2015-07-01

    Phytotoxic ozone (O3) levels have been recorded in the Metropolitan Region of São Paulo (MRSP). Flux-based critical levels for O3 through stomata have been adopted for some northern hemisphere species, showing better accuracy than with accumulated ozone exposure above a threshold of 40 ppb (AOT40). In Brazil, critical levels for vegetation protection against O3 adverse effects do not exist. The study aimed to investigate the applicability of O3 deposition model (Deposition of Ozone for Stomatal Exchange (DO3SE)) to an O3-sensitive tropical tree species (Psidium guajava L. 'Paluma') under the MRSP environmental conditions, which are very unstable, and to assess the performance of O3 flux and AOT40 in relation to O3-induced leaf injuries. Stomatal conductance (g s) parameterization for 'Paluma' was carried out and used to calculate different rate thresholds (from 0 to 5 nmol O3 m(-2) projected leaf area (PLA) s(-1)) for the phytotoxic ozone dose (POD). The model performance was assessed through the relationship between the measured and modeled g sto. Leaf injuries were analyzed and associated with POD and AOT40. The model performance was satisfactory and significant (R (2) = 0.56; P < 0.0001; root-mean-square error (RMSE) = 116). As already expected, high AOT40 values did not result in high POD values. Although high POD values do not always account for more injuries, POD0 showed better performance than did AOT40 and other different rate thresholds for POD. Further investigation is necessary to improve our model and also to check if there is a critical level of ozone in which leaf injuries arise. The conclusion is that the DO3SE model for 'Paluma' is applicable in the MRSP as well as in temperate regions and may contribute to future directives.

  16. The Stockholm-3 (STHLM3) Model can Improve Prostate Cancer Diagnostics in Men Aged 50-69 yr Compared with Current Prostate Cancer Testing.

    PubMed

    Eklund, Martin; Nordström, Tobias; Aly, Markus; Adolfsson, Jan; Wiklund, Peter; Brandberg, Yvonne; Thompson, James; Wiklund, Fredrik; Lindberg, Johan; Presti, Joseph C; StLezin, Mark; Clements, Mark; Egevad, Lars; Grönberg, Henrik

    2016-11-23

    Prostate cancer screening is associated with low specificity, unnecessary biopsies, and overdiagnosis. We have previously shown that the Stockholm-3 model (S3M) can reduce biopsies compared with using prostate-specific antigen (PSA) ≥3ng/ml as an indication for biopsy. Urologists in today's current prostate cancer testing (CPT) have access to numerous variables in addition to PSA (eg, age, ethnicity, family history, free PSA, PSA velocity, digital rectal examination, and prostate volume) to support biopsy decisions. We estimated the number of prostate cancers diagnosed and prostate biopsies performed if S3M replaced CPT in Stockholm, Sweden, by comparing biopsy results in 56 282 men who underwent PSA testing according to CPT in Stockholm in 2011 with the 47 688 men enrolled in the STHLM3 validation cohort 2012-2015. With the same sensitivity as CPT to diagnose Gleason score ≥7 prostate cancer, S3M was estimated to reduce the number of men biopsied by 53% (95% confidence interval [CI]: 41-65%), avoid 76% (95% CI: 67-81%) of negative biopsies, and reduce Gleason score 6 cancers by 23% (95% CI: 6-40%). S3M has the potential to improve prostate cancer diagnostics by better selecting men with high risk of GS ≥7 prostate cancer. We modeled the effect the Stockholm-3 model would have on prostate cancer diagnostics if it replaced current clinical practice. We found that Stockholm-3 model may substantially reduce the number of biopsies, while maintaining the same sensitivity to diagnose clinically significant prostate cancer. Copyright © 2016. Published by Elsevier B.V.

  17. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II.

    PubMed

    Isobe, Hiroshi; Shoji, Mitsuo; Shen, Jian-Ren; Yamaguchi, Kizashi

    2016-01-19

    We have performed hybrid density functional theory (DFT) calculations to investigate how chemical equilibria can be described in the S3 state of the oxygen-evolving complex in photosystem II. For a chosen 340-atom model, 1 stable and 11 metastable intermediates have been identified within the range of 13 kcal mol(-1) that differ in protonation, charge, spin, and conformational states. The results imply that reversible interconversion of these intermediates gives rise to dynamic equilibria that involve processes with relocations of protons and electrons residing in the Mn4CaO5 cluster, as well as bound water ligands, with concomitant large changes in the cluster geometry. Such proton tautomerism and redox isomerism are responsible for reversible activation/deactivation processes of substrate oxygen species, through which Mn-O and O-O bonds are transiently ruptured and formed. These results may allow for a tentative interpretation of kinetic data on substrate water exchange on the order of seconds at room temperature, as measured by time-resolved mass spectrometry. The reliability of the hybrid DFT method for the multielectron redox reaction in such an intricate system is also addressed.

  18. Mars-solar wind interaction: LatHyS, an improved parallel 3-D multispecies hybrid model

    NASA Astrophysics Data System (ADS)

    Modolo, Ronan; Hess, Sebastien; Mancini, Marco; Leblanc, Francois; Chaufray, Jean-Yves; Brain, David; Leclercq, Ludivine; Esteban-Hernández, Rosa; Chanteur, Gerard; Weill, Philippe; González-Galindo, Francisco; Forget, Francois; Yagi, Manabu; Mazelle, Christian

    2016-07-01

    In order to better represent Mars-solar wind interaction, we present an unprecedented model achieving spatial resolution down to 50 km, a so far unexplored resolution for global kinetic models of the Martian ionized environment. Such resolution approaches the ionospheric plasma scale height. In practice, the model is derived from a first version described in Modolo et al. (2005). An important effort of parallelization has been conducted and is presented here. A better description of the ionosphere was also implemented including ionospheric chemistry, electrical conductivities, and a drag force modeling the ion-neutral collisions in the ionosphere. This new version of the code, named LatHyS (Latmos Hybrid Simulation), is here used to characterize the impact of various spatial resolutions on simulation results. In addition, and following a global model challenge effort, we present the results of simulation run for three cases which allow addressing the effect of the suprathermal corona and of the solar EUV activity on the magnetospheric plasma boundaries and on the global escape. Simulation results showed that global patterns are relatively similar for the different spatial resolution runs, but finest grid runs provide a better representation of the ionosphere and display more details of the planetary plasma dynamic. Simulation results suggest that a significant fraction of escaping O+ ions is originated from below 1200 km altitude.

  19. Women's Preferences for Penis Size: A New Research Method Using Selection among 3D Models

    PubMed Central

    Park, Jaymie; Leung, Shannon

    2015-01-01

    Women’s preferences for penis size may affect men’s comfort with their own bodies and may have implications for sexual health. Studies of women’s penis size preferences typically have relied on their abstract ratings or selecting amongst 2D, flaccid images. This study used haptic stimuli to allow assessment of women’s size recall accuracy for the first time, as well as examine their preferences for erect penis sizes in different relationship contexts. Women (N = 75) selected amongst 33, 3D models. Women recalled model size accurately using this method, although they made more errors with respect to penis length than circumference. Women preferred a penis of slightly larger circumference and length for one-time (length = 6.4 inches/16.3 cm, circumference = 5.0 inches/12.7 cm) versus long-term (length = 6.3 inches/16.0 cm, circumference = 4.8 inches/12.2 cm) sexual partners. These first estimates of erect penis size preferences using 3D models suggest women accurately recall size and prefer penises only slightly larger than average. PMID:26332467

  20. Energies and spin states of FeS(0/-), FeS2(0/-), Fe2S2(0/-), Fe3S4(0/-), and Fe4S4(0/-) clusters.

    PubMed

    Li, Yan-Ni; Wang, Shengguang; Wang, Tao; Gao, Rui; Geng, Chun-Yu; Li, Yong-Wang; Wang, Jianguo; Jiao, Haijun

    2013-04-15

    The structures and energies of the electronic ground states of the FeS(0/-), FeS2(0/-), Fe2S2(0/-), Fe3S4(0/-), and Fe4S4(0/-) neutral and anionic clusters have been computed systematically with nine computational methods in combination with seven basis sets. The computed adiabatic electronic affinities (AEA) have been compared with available experimental data. Most reasonable agreements between theory and experiment have been found for both hybrid B3LYP and B3PW91 functionals in conjugation with 6-311+G* and QZVP basis sets. Detailed comparisons between the available experimental and computed AEA data at the B3LYP/6-311+G* level identified the electronic ground state of (5)Δ for FeS, (4)Δ for FeS(-), (5)B2 for FeS2, (6)A1 for FeS2(-), (1)A1 for Fe2S2, (8)A' for Fe2S2(-), (5)A'' for Fe3S4, (6)A'' for Fe3S4(-), (1)A1 for Fe4S4, and (1)A2 for Fe4S4(-). In addition, Fe2S2, Fe3S4, Fe3S4(-), Fe4S4, and Fe4S4(-) are antiferromagnetic at the B3LYP/6-311+G* level. The magnetic properties are discussed on the basis of natural bond orbital analysis. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Ba{sub 3}GeS{sub 5} and Ba{sub 3}InS{sub 4}Cl: Interesting size effects originated from the tetrahedral anions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pan, Ming-Yan; Xia, Sheng-Qing, E-mail: shqxia@sdu.edu.cn; Liu, Xiao-Cun

    2014-11-15

    Two new barium chalcogenides, Ba{sub 3}GeS{sub 5} and Ba{sub 3}InS{sub 4}Cl, were synthesized by using high temperature solid-state reactions and their structures were determined by single-crystal X-ray diffraction technique. Despite the similar chemical formula, the structures of Ba{sub 3}GeS{sub 5} and Ba{sub 3}InS{sub 4}Cl are subtly different due to the size effects originated from the tetrahedral anions. Ba{sub 3}GeS{sub 5} crystallizes in the orthorhombic space group Pnma (no. 62) with cell parameters of a=12.0528(9) Å, b=9.5497(7) Å and c=8.5979(6) Å, while Ba{sub 3}InS{sub 4}Cl adopts a different tetragonal system (space group: I4/mcm, no. 140, a=b=8.3613(6) Å, c=14.3806(18) Å). The measuredmore » optical band gap of Ba{sub 3}GeS{sub 5} is 3.0 eV, a little smaller than the value of 3.42 eV in Ba{sub 3}InS{sub 4}Cl. Theoretical calculations by Wien2k are provided as well in order to better understand these results. - Graphical abstract: The polyhedral structure view for Ba{sub 3}GeS{sub 5} and Ba{sub 3}InS{sub 4}Cl in which Ba, S and Cl atoms are plotted in purple, red and green spheres. - Highlights: • Two new barium chalcogenides, Ba{sub 3}GeS{sub 5} and Ba{sub 3}InS{sub 4}Cl, were synthesized from the BaCl{sub 2}-flux reactions. • Their crystal structures feature discrete [MS{sub 4}] tetrahedra which embody interesting size effects. • Both compounds exhibit a band gap around 3.0 eV. • They are thermally stable up to 1073 K.« less

  2. Measurement of the 3 s 1 / 2 - 3 p 3 / 2 resonance line of sodiumlike Eu 52 +

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Träbert, E.; Beiersdorfer, P.; Hell, N.

    2015-08-01

    We have measured the 3 s 1 / 2 - 3 p 3 / 2 transition in sodiumlike Eu 52 + situated at 41.232 Å with an uncertainty of 73 ppm. Our measurement extends previous high-precision measurements into the 56 < Z < 78 range of atomic numbers. We also present measurements of 3 s 1 / 2 - 3 p 3 / 2 and 3 p 1 / 2 - 3 d 3 / 2 transitions in the neighboring magnesiumlike, aluminumlike, and siliconlike europium ions.

  3. Measurement of the 3 s 1 / 2 - 3 p 3 / 2 resonance line of sodiumlike Eu 52 +

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Träbert, E.; Beiersdorfer, P.; Hell, N.

    2015-08-20

    We have measured the 3s 1/2-3p 3/2 transition in sodiumlike Eu 52+ situated at 41.232 Å with an uncertainty of 73 ppm. Our measurement extends previous high-precision measurements into the 56< Z< 78 range of atomic numbers. We also present measurements of 3s 1/2-3p 3/2 and 3p 1/2-3d 3/2 transitions in the neighboring magnesiumlike, aluminumlike, and siliconlike europium ions.

  4. Bonding quandary in the [Cu3S2]3+ core: insights from the analysis of domain averaged fermi holes and the local spin.

    PubMed

    Ponec, Robert; Ramos-Cordoba, Eloy; Salvador, Pedro

    2013-03-07

    The electronic structure of the trinuclear symmetric complex [(tmedaCu)3S2 ](3+), whose Cu3S2 core represents a model of the active site of metalloenzymes involved in biological processes, has been in recent years the subject of vigorous debate. The complex exists as an open-shell triplet, and discussions concerned the question whether there is a direct S-S bond in the [Cu3S2](3+) core, whose answer is closely related to the problem of the formal oxidation state of Cu atoms. In order to contribute to the elucidation of the serious differences in the conclusions of earlier studies, we report in this study the detailed comprehensive analysis of the electronic structure of the [Cu3S2](3+) core using the methodologies that are specifically designed to address three particular aspects of the bonding in the core of the above complex, namely, the presence and/or absence of direct S-S bond, the existence and the nature of spin-spin interactions among the atoms in the core, and the formal oxidation state of Cu atoms in the core. Using such a combined approach, it was possible to conclude that the picture of bonding consistently indicates the existence of a weak direct two-center-three-electron (2c-3e) S-S bond, but at the same time, the observed lack of any significant local spin in the core of the complex is at odds with the suggested existence of antiferromagnetic coupling among the Cu and S atoms, so that the peculiarities of the bonding in the complex seem to be due to extensive delocalization of the unpaired spin in the [Cu3S2](3+) core. Finally, a scrutiny of the effective atomic hybrids and their occupations points to a predominant formal Cu(II) oxidation state, with a weak contribution of partial Cu(I) character induced mainly by the partial flow of electrons from S to Cu atoms and high delocalization of the unpaired spin in the [Cu3S2](3+) core.

  5. Photoionization of Cl+ from the 3s23p4 3P2,1,0 and the 3s23p4 1D2,1S0 states in the energy range 19-28 eV

    NASA Astrophysics Data System (ADS)

    McLaughlin, Brendan M.

    2017-01-01

    Absolute photoionization cross-sections for the Cl+ ion in its ground and the metastable states, 3s23p4 3P2,1,0 and 3s23p4 1D2,1S0, were measured recently at the Advanced Light Source at Lawrence Berkeley National Laboratory using the merged beams photon-ion technique at a photon energy resolution of 15 meV in the energy range 19-28 eV. These measurements are compared with large-scale Dirac-Coulomb R-matrix calculations in the same energy range. Photoionization of this sulphur-like chlorine ion is characterized by multiple Rydberg series of auto-ionizing resonances superimposed on a direct photoionization continuum. A wealth of resonance features observed in the experimental spectra is spectroscopically assigned, and their resonance parameters are tabulated and compared with the recent measurements. Metastable fractions in the parent ion beam are determined from this study. Theoretical resonance energies and quantum defects of the prominent Rydberg series 3s23p3nd, identified in the spectra as 3p → nd transitions, are compared with the available measurements made on this element. Weaker Rydberg series 3s23p3ns, identified as 3p → ns transitions and window resonances 3s3p4(4P)np features, due to 3s → np transitions, are also found in the spectra.

  6. Heterogeneous reactions of HNO3(g) + NaCl(s) yields HCl(g) + NaNO3(s) and N2O5(g) + NaCl(s) yields ClNO2(g) + NaNO3(s)

    NASA Technical Reports Server (NTRS)

    Leu, Ming-Taun; Timonen, Raimo S.; Keyser, Leon F.; Yung, Yuk L.

    1995-01-01

    The heterogeneous reactions of HNO3(g) + NaCl(s) yields HCl(g) + NaNO3(s) (eq 1) and N2O5(g) + NaCl(s) yields ClNO2(g) + NaNO3(S) (eq 2) were investigated over the temperature range 223-296 K in a flow-tube reactor coupled to a quadrupole mass spectrometer. Either a chemical ionization mass spectrometer (CIMS) or an electron-impact ionization mass spectrometer (EIMS) was used to provide suitable detection sensitivity and selectivity. In order to mimic atmospheric conditions, partial pressures of HNO3 and N2O5 in the range 6 x 10(exp -8) - 2 x 10(exp -6) Torr were used. Granule sizes and surface roughness of the solid NaCl substrates were determined by using a scanning electron microscope. For dry NaCl substrates, decay rates of HNO3 were used to obtain gamma(1) = 0.013 +/- 0.004 (1sigma) at 296 K and > 0.008 at 223 K, respectively. The error quoted is the statistical error. After all corrections were made, the overall error, including systematic error, was estimated to be about a factor of 2. HCl was found to be the sole gas-phase product of reaction 1. The mechanism changed from heterogeneous reaction to predominantly physical adsorption when the reactor was cooled from 296 to 223 K. For reaction 2 using dry salts, gamma(2) was found to be less than 1.0 x 10(exp -4) at both 223 and 296 K. The gas-phase reaction product was identified as ClNO2 in previous studies using an infrared spectrometer. An enhancement in reaction probability was observed if water was not completely removed from salt surfaces, probably due to the reaction of N2O5(g) + H2O(s) yields 2HNO3(g). Our results are compared with previous literature values obtained using different experimental techniques and conditions. The implications of the present results for the enhancement of the hydrogen chloride column density in the lower stratosphere after the El Chichon volcanic eruption and for the chemistry of HCl and HNO3 in the marine troposphere are discussed.

  7. The Sectional Stratospheric Sulfate Aerosol module (S3A-v1) within the LMDZ general circulation model: description and evaluation against stratospheric aerosol observations

    NASA Astrophysics Data System (ADS)

    Kleinschmitt, Christoph; Boucher, Olivier; Bekki, Slimane; Lott, François; Platt, Ulrich

    2017-09-01

    Stratospheric aerosols play an important role in the climate system by affecting the Earth's radiative budget as well as atmospheric chemistry, and the capabilities to simulate them interactively within global models are continuously improving. It is important to represent accurately both aerosol microphysical and atmospheric dynamical processes because together they affect the size distribution and the residence time of the aerosol particles in the stratosphere. The newly developed LMDZ-S3A model presented in this article uses a sectional approach for sulfate particles in the stratosphere and includes the relevant microphysical processes. It allows full interaction between aerosol radiative effects (e.g. radiative heating) and atmospheric dynamics, including e.g. an internally generated quasi-biennial oscillation (QBO) in the stratosphere. Sulfur chemistry is semi-prescribed via climatological lifetimes. LMDZ-S3A reasonably reproduces aerosol observations in periods of low (background) and high (volcanic) stratospheric sulfate loading, but tends to overestimate the number of small particles and to underestimate the number of large particles. Thus, it may serve as a tool to study the climate impacts of volcanic eruptions, as well as the deliberate anthropogenic injection of aerosols into the stratosphere, which has been proposed as a method of geoengineering to abate global warming.

  8. Implications of emission inventory choice for modeling fire-related pollution in the U.S.

    NASA Astrophysics Data System (ADS)

    Koplitz, S. N.; Nolte, C. G.; Pouliot, G.

    2017-12-01

    Wildland fires are a major source of fine particulate matter (PM2.5), one of the most harmful ambient pollutants for human health globally. Within the U.S., wildland fires can account for more than 30% of total annual PM2.5 emissions. In order to represent the influence of fire emissions on atmospheric composition, regional and global chemical transport models (CTMs) rely on fire emission inventories developed from estimates of burned area (i.e. fire size and location). Burned area can be estimated using a range of top-down and bottom-up approaches, including satellite-derived remote sensing and on-the-ground incident reports. While burned area estimates agree with each other reasonably well in the western U.S. (within 20-30% for most years during 2002-2014), estimates for the southern U.S. vary by more than a factor of 3. Differences in burned area estimation methods lead to significant variability in the spatial and temporal allocation of emissions across fire emission inventory platforms. In this work, we implement fire emission estimates for 2011 from three different products - the USEPA National Emission Inventory (NEI), the Fire INventory of NCAR (FINN), and the Global Fire Emission Database (GFED4s) - into the Community Multiscale Air Quality (CMAQ) model to quantify and characterize differences in simulated fire-related PM2.5 and ozone concentrations across the contiguous U.S. due solely to the emission inventory used. Preliminary results indicate that the estimated contribution to national annual average PM2.5 from wildland fire in 2011 is highest using GFED4s emissions (1.0 µg m-3) followed by NEI (0.7 µg m-3) and FINN (0.3 µg m-3), with comparisons varying significantly by region and season. Understanding the sensitivity of modeling fire-related PM2.5 and ozone in the U.S. to fire emission inventory choice will inform future efforts to assess the implications of present and future fire activity for air quality and human health at national and global

  9. An S3-3 search for confined regions of large parallel electric fields

    NASA Astrophysics Data System (ADS)

    Boehm, M. H.; Mozer, F. S.

    1981-06-01

    S3-3 satellite passes through several hundred perpendicular shocks are searched for evidence of large, mostly parallel electric fields (several hundred millivolts per meter, total potential of several kilo-volts) in the auroral zone magnetosphere at altitudes of several thousand kilometers. The actual search criteria are that one or more E-field data points have a parallel component E sub z greater than 350 mV/m in general, or 100 mV/m for data within 10 seconds of a perpendicular shock, since double layers might be likely, in such regions. Only a few marginally convincing examples of the electric fields are found, none of which fits a double layer model well. From statistics done with the most unbiased part of the data set, upper limits are obtained on the number and size of double layers occurring in the auroral zone magnetosphere, and it is concluded that the double layers most probably cannot be responsible for the production of diffuse aurora or inverted-V events.

  10. Programming While Construction of Engineering 3D Models of Complex Geometry

    NASA Astrophysics Data System (ADS)

    Kheyfets, A. L.

    2017-11-01

    The capabilities of geometrically accurate computational 3D models construction with the use of programming are presented. The construction of models of an architectural arch and a glo-boid worm gear is considered as an example. The models are designed in the AutoCAD pack-age. Three programs of construction are given. The first program is for designing a multi-section architectural arch. The control of the arch’s geometry by impacting its main parameters is shown. The second program is for designing and studying the working surface of a globoid gear’s worm. The article shows how to make the animation for this surface’s formation. The third program is for formation of a worm gear cavity surface. The cavity formation dynamics is studied. The programs are written in the AutoLisp programming language. The program texts are provided.

  11. 3D Stratigraphic Modeling of Central Aachen

    NASA Astrophysics Data System (ADS)

    Dong, M.; Neukum, C.; Azzam, R.; Hu, H.

    2010-05-01

    Since 1980s, advanced computer hardware and software technologies, as well as multidisciplinary research have provided possibilities to develop advanced three dimensional (3D) simulation software for geosciences application. Some countries, such as USA1) and Canada2) 3), have built up regional 3D geological models based on archival geological data. Such models have played huge roles in engineering geology2), hydrogeology2) 3), geothermal industry1) and so on. In cooperating with the Municipality of Aachen, the Department of Engineering Geology of RWTH Aachen University have built up a computer-based 3D stratigraphic model of 50 meter' depth for the center of Aachen, which is a 5 km by 7 km geologically complex area. The uncorrelated data from multi-resources, discontinuous nature and unconformable connection of the units are main challenges for geological modeling in this area. The reliability of 3D geological models largely depends on the quality and quantity of data. Existing 1D and 2D geological data were collected, including 1) approximately 6970 borehole data of different depth compiled in Microsoft Access database and MapInfo database; 2) a Digital Elevation Model (DEM); 3) geological cross sections; and 4) stratigraphic maps in 1m, 2m and 5m depth. Since acquired data are of variable origins, they were managed step by step. The main processes are described below: 1) Typing errors of borehole data were identified and the corrected data were exported to Variowin2.2 to distinguish duplicate points; 2) The surface elevation of borehole data was compared to the DEM, and differences larger than 3m were eliminated. Moreover, where elevation data missed, it was read from the DEM; 3) Considerable data were collected from municipal constructions, such as residential buildings, factories, and roads. Therefore, many boreholes are spatially clustered, and only one or two representative points were picked out in such areas; After above procedures, 5839 boreholes with -x

  12. 3D numerical modeling of India-Asia-like collision

    NASA Astrophysics Data System (ADS)

    -Erika Püsök, Adina; Kaus, Boris; Popov, Anton

    2013-04-01

    above a strong mantle lithosphere - the jelly sandwich model (Burov and Watts, 2006). 3D models are thus needed to investigate these hypotheses. However, fully 3D models of the dynamics of continent collision zones have only been developed very recently, and presently most research groups have relied on certain explicit assumptions for their codes. Here, we employ the parallel 3D code LaMEM (Lithosphere and Mantle Evolution Model), with a finite difference staggered grid solver, which is capable of simulating lithospheric deformation while simultaneously taking mantle flow and a free surface into account. We here report on first lithospheric and upper-mantle scale simulations in which the Indian lithosphere is indented into Asia. Acknowledgements. Funding was provided by the European Research Council under the European Community's Seventh Framework Program (FP7/2007-2013) / ERC Grant agreement #258830. Numerical computations have been performed on JUQUEEN of the Jülich high-performance computing center. • Beaumont, C., Jamieson, R.A., Nguyen, M.H., Medvedev, S.E., 2004. Crustal channel flows: 1. Numerical models with applications to the tectonics of the Himalayan-Tibetan orogeny. J. Geophys. Res. 109, B06406. • Burov, E. & Watts, W.S., 2006. The long-term strength of continental lithosphere: "jelly sandwich" or "crème brûlée"?. GSA Today, 16, doi: 10.1130/1052-5173(2006)1016<1134:TLTSOC>1132.1130.CO;1132. • England P., Houseman, G., 1986. Finite strain calculations of continental deformation. 2. Comparison with the India-Asia collision zone. J. Geophys. Res.- Solid Earth and Planets 91 (B3), 3664-3676. • Jackson, J., 2002. Strength of the continental lithosphere: time to abandon the jelly sandwich?. GSA Today, September, 4-10. • Lechmann, S.M., May, D.A., Kaus, B.J.P., Schmalholz, S.M., 2011. Comparing thin-sheet models with 3D multilayer models for continental collision. Geophy. Int. J. doi: 10.1111/j.1365-246X.2011.05164.x • Royden, L.H., Burchfiel, B

  13. Modeling the thermal emission from asteroid 3 Juno using ALMA observations and the KRC thermal model

    NASA Astrophysics Data System (ADS)

    Titus, Timothy N.; Li, Jian-Yang; Moullet, Arielle; Sykes, Mark V.

    2015-11-01

    Asteroid 3 Juno (hereafter referred to as Juno), discovered 1 September 1804, is the 11th largest asteroid in the Main Asteroid Belt (MAB). Containing approximately 1% of the mass in the MAB [1], Juno is the second largest S-type [2].As part of the observations acquired from Atacama Large Millimeter/submillimeter Array (ALMA) [3], 10 reconstructed images at ~60km/pixel resolution were acquired of Juno [4] that showed significant deviations from the Standard Thermal Model (STM) [5]. These deviations could be a result of surface topography, albedo variations, emissivity variations, thermal inertia variations, or any combination.The KRC thermal model [6, 7], which has been extensively used for Mars [e.g. 8, 9] and has been applied to Vesta [10] and Ceres [11], will be used to compare model thermal emission to that observed by ALMA at a wavelength of 1.33 mm [4]. The 10 images, acquired over a four hour period, captured ~55% of Juno’s 7.21 hour rotation. Variations in temperature as a function of local time will be used to constrain the source of the thermal emission deviations from the STM.This work is supported by the NASA Solar System Observations Program.References:[1] Pitjeva, E. V. (2005) Solar System Research 39(3), 176. [2] Baer, J. and S. R. Chesley (2008) Celestial Mechanics and Dynamical Astronomy, 100, 27-42. [3] Wootten A. et al. (2015) IAU General Assembly, Meeting #29, #2237199 [4] arXiv:1503.02650 [astro-ph.EP] doi: 10.1088/2041-8205/808/1/L2 [5] Lebofsky, L.A. eta al. (1986) Icarus, 68, 239-251. [6] Kieffer, H. H., et al. (1977) J. Geophys. Res., 82, 4249-4291. [7] Kieffer, Hugh H., (2013) Journal of Geophysical Research: Planets, Volume 118, Issue 3, pp. 451-470 [8] Titus, T. N., H. H. Kieffer, and P. N. Christensen (2003) Science, 299, 1048-1051. [9] Fergason, R. L. et al. (2012) Space Sci. Rev, 170, 739-773, doi:10.1007/s11214-012-9891-3. [10] Titus, T. N. et al. (2012) 43rd LPSC, held March 19-23, 2012 at The Woodlands, Texas. LPI Contribution No

  14. DSIF and RNA polymerase II CTD phosphorylation coordinate the recruitment of Rpd3S to actively transcribed genes.

    PubMed

    Drouin, Simon; Laramée, Louise; Jacques, Pierre-Étienne; Forest, Audrey; Bergeron, Maxime; Robert, François

    2010-10-28

    Histone deacetylase Rpd3 is part of two distinct complexes: the large (Rpd3L) and small (Rpd3S) complexes. While Rpd3L targets specific promoters for gene repression, Rpd3S is recruited to ORFs to deacetylate histones in the wake of RNA polymerase II, to prevent cryptic initiation within genes. Methylation of histone H3 at lysine 36 by the Set2 methyltransferase is thought to mediate the recruitment of Rpd3S. Here, we confirm by ChIP-Chip that Rpd3S binds active ORFs. Surprisingly, however, Rpd3S is not recruited to all active genes, and its recruitment is Set2-independent. However, Rpd3S complexes recruited in the absence of H3K36 methylation appear to be inactive. Finally, we present evidence implicating the yeast DSIF complex (Spt4/5) and RNA polymerase II phosphorylation by Kin28 and Ctk1 in the recruitment of Rpd3S to active genes. Taken together, our data support a model where Set2-dependent histone H3 methylation is required for the activation of Rpd3S following its recruitment to the RNA polymerase II C-terminal domain.

  15. A simple phenomenological study of photodarkening in As2S3 glasses

    NASA Astrophysics Data System (ADS)

    Florea, Catalin; Busse, Lynda; Sanghera, Jasbinder; Shaw, Brandon; Aggarwal, Ishwar

    2012-06-01

    By using a simple photodarkening model we investigate the dynamics of photodarkening in As2S3 glasses under laser illumination. We find that, for illumination at 633 nm, the quantum efficiency of the photodarkening process is of about 4% and that the absorption cross-section of the dark centers is ˜2.2 times larger than that of the intrinsic structural units. The insights gained from the modeling are compared with the experimental results obtained when writing Bragg gratings using 633 nm, 594 nm and 568 nm laser light.

  16. Electronic structure of silver doped As2S3

    NASA Astrophysics Data System (ADS)

    Kaur, Veerpal; Khatta, Swati; Tripathi, S. K.; Prakash, S.

    2018-04-01

    We have studied the band structure, density of states and partial density of states for pure arsenic trisulfide (As2S3) and silver (Ag) doped arsenic trisulfide (As2S3) using DFT based GGA approach. It is observed that with the introduction of silver in As2S3, some extra states are observed in the gap region hence modifying the semiconducting gap in As2S3. These extra states in the gap region are due to 4d-states of silver.

  17. Interacting 3-form dark energy models: Distinguishing interactions and avoiding the Little Sibling of the Big Rip

    NASA Astrophysics Data System (ADS)

    Morais, João; Bouhmadi-López, Mariam; Kumar, K. Sravan; Marto, João; Tavakoli, Yaser

    2017-03-01

    In this paper we consider 3-form dark energy (DE) models with interactions in the dark sector. We aim to distinguish the phenomenological interactions that are defined through the dark matter (DM) and the DE energy densities. We do our analysis mainly in two stages. In the first stage, we identify the non-interacting 3-form DE model which generically leads to an abrupt late-time cosmological event which is known as the little sibling of the Big Rip (LSBR). We classify the interactions which can possibly avoid this late-time abrupt event. We also study the parameter space of the model that is consistent with the interaction between DM and DE energy densities at present as indicated by recent studies based on BAO and SDSS data. In the later stage, we observationally distinguish those interactions using the statefinder hierarchy parameters S3(1), S4(1), S3(1), S5(1). We also compute the growth factor parameter ɛ(z) for the various interactions we consider herein and use the composite null diagnostic (CND) S3(1), ɛ(z) } as a tool to characterise those interactions by measuring their departures from the concordance model. In addition, we make a preliminary analysis of our model in light of the recently released data by SDSS III on the measurement of the linear growth rate of structure.

  18. On the direct and dissociative excitation of the O(3s 3S0) state by electron impact on atomic and molecular oxygen

    NASA Technical Reports Server (NTRS)

    Zipf, E. C.

    1986-01-01

    The ratio of the cross sections for the direct and dissociative excitation of the OI(3s 3S0-2p 3P; 1304 A wavelength) transition, sigma A/sigma D, are accurately determined, and the sigma A/sigma D ratio is directly normalized to the ratio of the O(+) and O2(+) ionization cross sections using a high-density diffuse gas source, an electrostatically focused electron gun, a vacuum-ultraviolet monochromater, and a quadrupole mass spectrometer for simultaneous optical and composition measurements. Using revised sigma A(1304 A) values calculated with new calibration standards, the shape of the cross section for the excitation of the O(3s 3S0) state agrees well with previous results, though the absolute magnitude of sigma A(1304 A) is smaller than the results of Stone and Zipf (1974) by a factor of 2.8. The revised cross sections agree well with recent quantum calculations when cascade excitation of the 3s 3S0 state is taken into account.

  19. Amorphous MoS3 as the sulfur-equivalent cathode material for room-temperature Li-S and Na-S batteries.

    PubMed

    Ye, Hualin; Ma, Lu; Zhou, Yu; Wang, Lu; Han, Na; Zhao, Feipeng; Deng, Jun; Wu, Tianpin; Li, Yanguang; Lu, Jun

    2017-12-12

    Many problems associated with Li-S and Na-S batteries essentially root in the generation of their soluble polysulfide intermediates. While conventional wisdom mainly focuses on trapping polysulfides at the cathode using various functional materials, few strategies are available at present to fully resolve or circumvent this long-standing issue. In this study, we propose the concept of sulfur-equivalent cathode materials, and demonstrate the great potential of amorphous MoS 3 as such a material for room-temperature Li-S and Na-S batteries. In Li-S batteries, MoS 3 exhibits sulfur-like behavior with large reversible specific capacity, excellent cycle life, and the possibility to achieve high areal capacity. Most remarkably, it is also fully cyclable in the carbonate electrolyte under a relatively high temperature of 55 °C. MoS 3 can also be used as the cathode material of even more challenging Na-S batteries to enable decent capacity and good cycle life. Operando X-ray absorption spectroscopy (XAS) experiments are carried out to track the structural evolution of MoS 3 It largely preserves its chain-like structure during repetitive battery cycling without generating any free polysulfide intermediates.

  20. Amorphous MoS3 as the sulfur-equivalent cathode material for room-temperature Li–S and Na–S batteries

    PubMed Central

    Ye, Hualin; Ma, Lu; Zhou, Yu; Wang, Lu; Han, Na; Zhao, Feipeng; Deng, Jun; Wu, Tianpin; Li, Yanguang; Lu, Jun

    2017-01-01

    Many problems associated with Li–S and Na–S batteries essentially root in the generation of their soluble polysulfide intermediates. While conventional wisdom mainly focuses on trapping polysulfides at the cathode using various functional materials, few strategies are available at present to fully resolve or circumvent this long-standing issue. In this study, we propose the concept of sulfur-equivalent cathode materials, and demonstrate the great potential of amorphous MoS3 as such a material for room-temperature Li–S and Na–S batteries. In Li–S batteries, MoS3 exhibits sulfur-like behavior with large reversible specific capacity, excellent cycle life, and the possibility to achieve high areal capacity. Most remarkably, it is also fully cyclable in the carbonate electrolyte under a relatively high temperature of 55 °C. MoS3 can also be used as the cathode material of even more challenging Na–S batteries to enable decent capacity and good cycle life. Operando X-ray absorption spectroscopy (XAS) experiments are carried out to track the structural evolution of MoS3. It largely preserves its chain-like structure during repetitive battery cycling without generating any free polysulfide intermediates. PMID:29180431

  1. No Evidence from FTIR Difference Spectroscopy that Glutamate-189 of the D1 Polypeptide Ligates a Mn Ion that Undergoes Oxidation During the S0 to S1, S1 to S2, or S2 to S3 Transitions in Photosystem II†

    PubMed Central

    Strickler, Melodie A.; Hillier, Warwick; Debus, Richard J.

    2008-01-01

    In the recent X-ray crystallographic structural models of photosystem II, Glu189 of the D1 polypeptide is assigned as a ligand of the oxygen-evolving Mn4 cluster. To determine if D1-Glu189 ligates a Mn ion that undergoes oxidation during one or more of the S0 → S1, S1 → S2, and S2 → S3 transitions, the FTIR difference spectra of the individual S state transitions in D1-E189Q and D1-E189R mutant PSII particles from the cyanobacterium Synechocystis sp. PCC 6803 were compared with those in wild-type PSII particles. Remarkably, the data show that neither mutation significantly alters the mid-frequency regions (1800 − 1200 cm−1) of any of the FTIR difference spectra. Importantly, neither mutation eliminates any specific symmetric or asymmetric carboxylate stretching mode that might have been assigned to D1-Glu189. The small spectral alterations that are observed are similar in amplitude to those that are observed in wild-type PSII particles that have been exchanged into FTIR analysis buffer by different methods or those that are observed in D2-H189Q mutant PSII particles (the residue D2-His189 is located > 25 Å from the Mn4 cluster and accepts a hydrogen bond from Tyr YD). The absence of significant mutation-induced spectral alterations in the D1-Glu189 mutants shows that the oxidation of the Mn4 cluster does not alter the frequencies of the carboxylate stretching modes of D1-Glu189 during the S0 → S1, S1 → S2, or S2 → S3 transitions. One explanation of these data is that D1-Glu189 ligates a Mn ion that does not increase its charge or oxidation state during any of these S state transitions. However, because the same conclusion was reached previously for D1-Asp170, and because the recent X-ray crystallographic structural models assign D1-Asp170 and D1-Glu189 as ligating different Mn ions, this explanation requires that (1) the extra positive charge that develops on the Mn4 cluster during the S1 → S2 transition be localized on the Mn ion that is ligated

  2. Cadastral data model established and perfected with 4S technology

    NASA Astrophysics Data System (ADS)

    He, Beijing; He, Jiang; He, Jianpeng

    1998-08-01

    Considering China's social essential system and the actual case of the formation of cadastral information in urban and rural area, and based on the 4S technology and the theory and method of canton's GPS geodetic data bench developed by the authors, we thoroughly research on some correlative technical problems about establishing and perfecting all-level's microcosmic cadastral data model (called model in the following) once again. Such problems as the following are included: cadastral, feature and topographic information and its modality and expressing method, classifying and grading the model, coordinate system to be selected, data basis for the model, the collecting method and digitalization of information, database's structural model, mathematical model and the establishing technology of 3 or more dimensional model, dynamic monitoring of and the development and application of the model. Then, the domestic and overseas application prospect is revealed. It also has the tendency to intrude markets cooperated with 'data bench' technology or RS image maps' all-analysis digital surveying and mapping technology.

  3. U.S. Geological Survey: A synopsis of Three-dimensional Modeling

    USGS Publications Warehouse

    Jacobsen, Linda J.; Glynn, Pierre D.; Phelps, Geoff A.; Orndorff, Randall C.; Bawden, Gerald W.; Grauch, V.J.S.

    2011-01-01

    The U.S. Geological Survey (USGS) is a multidisciplinary agency that provides assessments of natural resources (geological, hydrological, biological), the disturbances that affect those resources, and the disturbances that affect the built environment, natural landscapes, and human society. Until now, USGS map products have been generated and distributed primarily as 2-D maps, occasionally providing cross sections or overlays, but rarely allowing the ability to characterize and understand 3-D systems, how they change over time (4-D), and how they interact. And yet, technological advances in monitoring natural resources and the environment, the ever-increasing diversity of information needed for holistic assessments, and the intrinsic 3-D/4-D nature of the information obtained increases our need to generate, verify, analyze, interpret, confirm, store, and distribute its scientific information and products using 3-D/4-D visualization, analysis, modeling tools, and information frameworks. Today, USGS scientists use 3-D/4-D tools to (1) visualize and interpret geological information, (2) verify the data, and (3) verify their interpretations and models. 3-D/4-D visualization can be a powerful quality control tool in the analysis of large, multidimensional data sets. USGS scientists use 3-D/4-D technology for 3-D surface (i.e., 2.5-D) visualization as well as for 3-D volumetric analyses. Examples of geological mapping in 3-D include characterization of the subsurface for resource assessments, such as aquifer characterization in the central United States, and for input into process models, such as seismic hazards in the western United States.

  4. Molecular modeling of cytochrome P450 3A4

    NASA Astrophysics Data System (ADS)

    Szklarz, Grazyna D.; Halpert, James R.

    1997-05-01

    The three-dimensional structure of human cytochrome P450 3A4 was modeled based on crystallographic coordinates of four bacterial P450s: P450 BM-3, P450cam, P450terp, and P450eryF. The P450 3A4 sequence was aligned to those of the known proteins using a structure-based alignment of P450 BM-3, P450cam, P450terp, and P450eryF. The coordinates of the model were then calculated using a consensus strategy, and the final structure was optimized in the presence of water. The P450 3A4 model resembles P450 BM-3 the most, but the B' helix is similar to that of P450eryF, which leads to an enlarged active site when compared with P450 BM-3, P450cam, and P450terp. The 3A4 residues equivalent to known substrate contact residues of the bacterial proteins and key residues of rat P450 2B1 are located in the active site or the substrate access channel. Docking of progesterone into the P450 3A4 model demonstrated that the substrate bound in a 6β-orientation can interact with a number of active site residues, such as 114, 119, 301, 304, 305, 309, 370, 373, and 479, through hydrophobic interactions. The active site of the enzyme can also accommodate erythromycin, which, in addition to the residues listed for progesterone, also contacts residues 101, 104, 105, 214, 215, 217, 218, 374, and 478. The majority of 3A4 residues which interact with progesterone and/or erythromycin possess their equivalents in key residues of P450 2B enzymes, except for residues 297, 480 and 482, which do not contact either substrate in P450 3A4. The results from docking of progesterone and erythromycin into the enzyme model make it possible to pinpoint residues which may be important for 3A4 function and to target them for site-directed mutagenesis.

  5. The critical boundary RSOS M(3,5) model

    NASA Astrophysics Data System (ADS)

    El Deeb, O.

    2017-12-01

    We consider the critical nonunitary minimal model M(3, 5) with integrable boundaries and analyze the patterns of zeros of the eigenvalues of the transfer matrix and then determine the spectrum of the critical theory using the thermodynamic Bethe ansatz ( TBA) equations. Solving the TBA functional equation satisfied by the transfer matrices of the associated A 4 restricted solid-on-solid Forrester-Baxter lattice model in regime III in the continuum scaling limit, we derive the integral TBA equations for all excitations in the ( r, s) = (1, 1) sector and then determine their corresponding energies. We classify the excitations in terms of ( m, n) systems.

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

    USGS Publications Warehouse

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

    2010-01-01

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

  7. mRNA 3' of the A site bound codon is located close to protein S3 on the human 80S ribosome.

    PubMed

    Molotkov, Maxim V; Graifer, Dmitri M; Popugaeva, Elena A; Bulygin, Konstantin N; Meschaninova, Maria I; Ven'yaminova, Aliya G; Karpova, Galina G

    2006-07-01

    Ribosomal proteins neighboring the mRNA downstream of the codon bound at the decoding site of human 80S ribosomes were identified using three sets of mRNA analogues that contained a UUU triplet at the 5' terminus and a perfluorophenylazide cross-linker at guanosine, adenosine or uridine residues placed at various locations 3' of this triplet. The positions of modified mRNA nucleotides on the ribosome were governed by tRNA(Phe) cognate to the UUU triplet targeted to the P site. Upon mild UV-irradiation, the mRNA analogues cross-linked preferentially to the 40S subunit, to the proteins and to a lesser extent to the 18S rRNA. Cross-linked nucleotides of 18S rRNA were identified previously. In the present study, it is shown that among the proteins the main target for cross-linking with all the mRNA analogues tested was protein S3 (homologous to prokaryotic S3, S3p); minor cross-linking to protein S2 (S5p) was also detected. Both proteins cross-linked to mRNA analogues in the ternary complexes as well as in the binary complexes (without tRNA). In the ternary complexes protein S15 (S19p) also cross-linked, the yield of the cross-link decreased significantly when the modified nucleotide moved from position +5 to position +12 with respect to the first nucleotide of the P site bound codon. In several ternary complexes minor cross-linking to protein S30 was likewise detected. The results of this study indicate that S3 is a key protein at the mRNA binding site neighboring mRNA downstream of the codon at the decoding site in the human ribosome.

  8. A practical and improved synthesis of (3S,5S)-3-[(tert-butyloxycarbonyl)methyl]- 5-[(methanesulfonyloxy)methyl]-2- pyrrolidinone.

    PubMed

    Yee, Nathan K; Dong, Yong; Kapadia, Suresh R; Song, Jinhua J

    2002-11-29

    A practical and improved synthesis of (3S,5S)-3-[(tert-butyloxycarbonyl)methyl]-5-[(methanesulfonyloxy)methyl]-2-pyrrolidinone (1) is described. The key transformations involve a highly efficient reaction sequence consisting of ethoxycarbonylation, alkylation, hydrolysis, and decarboxylation to produce compound 10. The process described herein is practical, robust, and cost-effective, and it has been successfully implemented in a pilot plant to produce a multikilogram quantity of mesylate 1.

  9. The 3 H and BMSEST Models for Spirituality in Multicultural Whole-Person Medicine

    PubMed Central

    Anandarajah, Gowri

    2008-01-01

    PURPOSE The explosion of evidence in the last decade supporting the role of spirituality in whole-person patient care has prompted proposals for a move to a biopsychosocial-spiritual model for health. Making this paradigm shift in today’s multicultural societies poses many challenges, however. This article presents 2 theoretical models that provide common ground for further exploration of the role of spirituality in medicine. METHODS The 3 H model (head, heart, hands) and the BMSEST models (body, mind, spirit, environment, social, transcendent) evolved from the author’s 12-year experience with curricula development regarding spirituality and medicine, 16-year experience as an attending family physician and educator, lived experience with both Hinduism and Christianity since childhood, and a lifetime study of the world’s great spiritual traditions. The models were developed, tested with learners, and refined. RESULTS The 3 H model offers a multidimensional definition of spirituality, applicable across cultures and belief systems, that provides opportunities for a common vocabulary for spirituality. Therapeutic options, from general spiritual care (compassion, presence, and the healing relationship), to specialized spiritual care (eg, by clinical chaplains), to spiritual self-care are discussed. The BMSEST model provides a conceptual framework for the role of spirituality in the larger health care context, useful for patient care, education, and research. Interactions among the 6 BMSEST components, with references to ongoing research, are proposed. CONCLUSIONS Including spirituality in whole-person care is a way of furthering our understanding of the complexities of human health and well-being. The 3 H and BMSEST models suggest a multidimensional and multidisciplinary approach based on universal concepts and a foundation in both the art and science of medicine. PMID:18779550

  10. Nagaoka’s atomic model and hyperfine interactions

    PubMed Central

    INAMURA, Takashi T.

    2016-01-01

    The prevailing view of Nagaoka’s “Saturnian” atom is so misleading that today many people have an erroneous picture of Nagaoka’s vision. They believe it to be a system involving a ‘giant core’ with electrons circulating just outside. Actually, though, in view of the Coulomb potential related to the atomic nucleus, Nagaoka’s model is exactly the same as Rutherford’s. This is true of the Bohr atom, too. To give proper credit, Nagaoka should be remembered together with Rutherford and Bohr in the history of the atomic model. It is also pointed out that Nagaoka was a pioneer of understanding hyperfine interactions in order to study nuclear structure. PMID:27063182

  11. Chemical dynamics simulations of X- + CH3Y → XCH3 + Y- gas-phase S(N)2 nucleophilic substitution reactions. Nonstatistical dynamics and nontraditional reaction mechanisms.

    PubMed

    Manikandan, Paranjothy; Zhang, Jiaxu; Hase, William L

    2012-03-29

    Extensive classical chemical dynamics simulations of gas-phase X(-) + CH(3)Y → XCH(3) + Y(-) S(N)2 nucleophilic substitution reactions are reviewed and discussed and compared with experimental measurements and predictions of theoretical models. The primary emphasis is on reactions for which X and Y are halogen atoms. Both reactions with the traditional potential energy surface (PES), which include pre- and postreaction potential energy minima and a central barrier, and reactions with nontraditional PESs are considered. These S(N)2 reactions exhibit important nonstatistical atomic-level dynamics. The X(-) + CH(3)Y → X(-)---CH(3)Y association rate constant is less than the capture model as a result of inefficient energy transfer from X(-)+ CH(3)Y relative translation to CH(3)Y rotation and vibration. There is weak coupling between the low-frequency intermolecular modes of the X(-)---CH(3)Y complex and higher frequency CH(3)Y intramolecular modes, resulting in non-RRKM kinetics for X(-)---CH(3)Y unimolecular decomposition. Recrossings of the [X--CH(3)--Y](-) central barrier is important. As a result of the above dynamics, the relative translational energy and temperature dependencies of the S(N)2 rate constants are not accurately given by statistical theory. The nonstatistical dynamics results in nonstatistical partitioning of the available energy to XCH(3) +Y(-) reaction products. Besides the indirect, complex forming atomic-level mechanism for the S(N)2 reaction, direct mechanisms promoted by X(-) + CH(3)Y relative translational or CH(3)Y vibrational excitation are possible, e.g., the roundabout mechanism.

  12. Crustal and mantle structure of the greater Jan Mayen-East Greenland region (NE Atlantic) from combined 3D structural, S-wave velocity, and gravity modeling

    NASA Astrophysics Data System (ADS)

    Tan, P.; Sippel, J.; Scheck-Wenderoth, M.; Meeßen, C.; Breivik, A. J.

    2016-12-01

    The study area is located between the Jan Mayen Ridge and the east coast of Greenland. It has a complex geological setting with the ultraslow Kolbeinsey and Mohn's spreading ridges, the anomalously shallow Eggvin Bank, the Jan Mayen Microcontinent (JMMC), and the tectonically active West Jan Mayen Fracture Zone (WJMFZ). In this study, we present the results of forward 3D structural, S-wave velocity, and gravity modeling which provide new insights into the deep crust and mantle structure and the wide-ranging influence of the Iceland Plume. The crustal parts of the presented 3D structural model are mainly constrained by local seismic refraction and reflection data. Accordingly, greatest crustal thicknesses (24 km) are observed on the northern boundary of the JMMC, while the average crustal thickness is 8.5 km and 4 km in the Kolbeinsey and Mohn's Ridge, respectively. The densities of the crustal parts are from previous studies. Additionally, the mantle density is derived from S-wave velocity data (between 50 and 250 km depth), while densities of the lithospheric mantle between the Moho and 50 km are calculated assuming isostatic equilibrium at 250 km depth. This is used as a starting density model which is further developed to obtain a reasonable fit between the calculated and measured (free-air) gravity fields. The observed S-wave tomographic data and the gravity modeling prove that the Iceland plume anomaly in the asthenosphere affects the lithospheric thickness and temperature, from the strongly influenced Middle Kolbeinsey Ridge, to the less affected North Kolbeinsey Ridge (Eggvin Bank), and to the little impacted Mohn's Ridge. Thus, the age-temperature relations of the different mid-ocean ridges of the study area are perturbed to different degrees controlled by the distance from the Iceland Plume. Furthermore, we find that the upper 50 km of lithospheric mantle are thermally affected by the plume only in the southwestern parts of the study area.

  13. Notes on S-folds and {N} = 3 theories

    NASA Astrophysics Data System (ADS)

    Agarwal, Prarit; Amariti, Antonio

    2016-09-01

    We consider D3 branes in presence of an S-fold plane. The latter is a non-perturbative object, arising from the combined projection of an S-duality twist and a discrete orbifold of the R-symmetry group. This construction naively gives rise to 4d {N} = 3 SCFTs. Nevertheless it has been observed that in some cases supersymmetry is enhanced to {N} = 4. In this paper we study the explicit counting of degrees of freedom arising from vector multiplets associated to strings suspended between the D3 branes probing the S-fold. We propose that, for trivial discrete torsion, there is no vector multiplet associated to (1, 0) strings stretched between a brane and its image. We then focus on the case of rank 2 {N} = 3 theory that enhances to SU(3) {N} = 4 SYM, explicitly spelling out the isomorphism between the BPS-spectrum of the manifestly {N} = 3 theory and that of three D3 branes in flat spacetime. Subsequently, we consider 3-pronged strings in these setups and show how wall-crossing in the S-fold background implies wall crossing in the flat geometry. This can be considered a consistency check of the conjectured SUSY enhancement. We also find that the above isomorphism implies that a (1, 0) string, suspended between a brane and its image in the S-fold, corresponds to a 3-string junction in the flat geometry. This is in agreement with our claim on the absence of a vector multiplet associated to such (1, 0) strings. This is because the 3-string junction in flat geometry gives rise to a 1/4-th BPS multiplet of the {N} = 4 algebra. Such multiplets always include particles with spin > 1 as opposed to a vector multiplet which is restricted by the requirement that the spins must be ≤ 1.

  14. Redox non-innocence of thioether crowns: elucidation of the electronic structure of the mononuclear Pd(III) complexes [Pd([9]aneS3)2]3+ and [Pd([18]aneS6)]3+.

    PubMed

    Stephen, Emma; Blake, Alexander J; Carter, Emma; Collison, David; Davies, E Stephen; Edge, Ruth; Lewis, William; Murphy, Damien M; Wilson, Claire; Gould, Robert O; Holder, Alan J; McMaster, Jonathan; Schröder, Martin

    2012-02-06

    The Pd(II) complexes [Pd([9]aneS(3))(2)](PF(6))(2)·2MeCN (1) ([9]aneS(3) = 1,4,7-trithiacyclononane) and [Pd([18]aneS(6))](PF(6))(2) (2) ([18]aneS(6) = 1,4,7,10,13,16-hexathiacyclooctadecane) can be oxidized electrochemically or chemically oxidized with 70% HClO(4) to [Pd([9]aneS(3))(2)](3+) and [Pd([18]aneS(6))](3+), respectively. These centers have been characterized by single crystal X-ray diffraction, and by UV/vis and multifrequency electron paramagnetic resonance (EPR) spectroscopies. The single crystal X-ray structures of [Pd(III)([9]aneS(3))(2)](ClO(4))(6)·(H(3)O)(3)·(H(2)O)(4) (3) at 150 K and [Pd([18]aneS(6))](ClO(4))(6)·(H(5)O(2))(3) (4) at 90 K reveal distorted octahedral geometries with Pd-S distances of 2.3695(8), 2.3692(8), 2.5356(9) and 2.3490(6), 2.3454(5), 2.5474(6) Å, respectively, consistent with Jahn-Teller distortion at a low-spin d(7) Pd(III) center. The Pd(II) compound [Pd([9]aneS(3))(2)](PF(6))(2) shows a one-electron oxidation process in MeCN (0.2 M NBu(4)PF(6), 293 K) at E(1/2) = +0.57 V vs. Fc(+)/Fc assigned to a formal Pd(III)/Pd(II) couple. Multifrequency (Q-, X-, S-, and L-band) EPR spectroscopic analysis of [Pd([9]aneS(3))(2)](3+) and [Pd([18]aneS(6))](3+) gives g(iso) = 2.024, |A(iso(Pd))| = 18.9 × 10(-4) cm(-1); g(xx) = 2.046, g(yy) = 2.041, g(zz) = 2.004; |A(xx(Pd))| = 24 × 10(-4) cm(-1), |A(yy(Pd))| = 22 × 10(-4) cm(-1), |A(zz(Pd))| = 14 × 10(-4) cm(-1), |a(xx(H))| = 4 × 10(-4) cm(-1), |a(yy(H))| = 5 × 10(-4) cm(-1), |a(zz(H))| = 5.5 × 10(-4) cm(-1) for [Pd([9]aneS(3))(2)](3+), and g(iso) = 2.015, |A(iso(Pd))| = 18.8× 10(-4) cm(-1); g(xx) = 2.048 g(yy) = 2.036, g(zz) = 1.998; |a(xx(H))| = 5, |a(yy(H))| = 5, |a(zz(H))| = 6 × 10(-4) cm(-1); |A(xx(Pd))| = 23× 10(-4) cm(-1), |A(yy(Pd))| = 22 × 10(-4) cm(-1), |A(zz(Pd))| = 4 × 10(-4) cm(-1) for [Pd([18]aneS(6))](3+). Both [Pd([9]aneS(3))(2)](3+) and [Pd([18]aneS(6))](3+) exhibit five-line superhyperfine splitting in the g(zz) region in their frozen solution EPR

  15. Finite-Source Inversion for the 2004 Parkfield Earthquake using 3D Velocity Model Green's Functions

    NASA Astrophysics Data System (ADS)

    Kim, A.; Dreger, D.; Larsen, S.

    2008-12-01

    We determine finite fault models of the 2004 Parkfield earthquake using 3D Green's functions. Because of the dense station coverage and detailed 3D velocity structure model in this region, this earthquake provides an excellent opportunity to examine how the 3D velocity structure affects the finite fault inverse solutions. Various studies (e.g. Michaels and Eberhart-Phillips, 1991; Thurber et al., 2006) indicate that there is a pronounced velocity contrast across the San Andreas Fault along the Parkfield segment. Also the fault zone at Parkfield is wide as evidenced by mapped surface faults and where surface slip and creep occurred in the 1966 and the 2004 Parkfield earthquakes. For high resolution images of the rupture process"Ait is necessary to include the accurate 3D velocity structure for the finite source inversion. Liu and Aurchuleta (2004) performed finite fault inversions using both 1D and 3D Green's functions for 1989 Loma Prieta earthquake using the same source paramerization and data but different Green's functions and found that the models were quite different. This indicates that the choice of the velocity model significantly affects the waveform modeling at near-fault stations. In this study, we used the P-wave velocity model developed by Thurber et al (2006) to construct the 3D Green's functions. P-wave speeds are converted to S-wave speeds and density using by the empirical relationships of Brocher (2005). Using a finite difference method, E3D (Larsen and Schultz, 1995), we computed the 3D Green's functions numerically by inserting body forces at each station. Using reciprocity, these Green's functions are recombined to represent the ground motion at each station due to the slip on the fault plane. First we modeled the waveforms of small earthquakes to validate the 3D velocity model and the reciprocity of the Green"fs function. In the numerical tests we found that the 3D velocity model predicted the individual phases well at frequencies lower than 0

  16. Synthesis, structure and characterization of two new copper(I)-thioarsenates (III) constructed by the [AsS{sub 3}]{sup 3-} and CuS{sub x} units

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua

    2013-02-15

    Two new copper(I)-thioarsenates(III), CsCu{sub 2}AsS{sub 3}(1) and KCu{sub 4}AsS{sub 4}(2), have been synthesized solvothermally in the presence of copper powder. Compound 1 is built up of trigonal AsS{sub 3} pyramid, tetrahedral CuAsS{sub 3} and CuS{sub 3} moieties forming 4-membered, 5-membered and 6-membered rings. The fusion of these rings produces layered anions [Cu{sub 2}AsS{sub 3}]{sup -}, and cesium cations are located between metal-sulfide layers. The structure of 2 consists of infinite [Cu{sub 2}S{sub 2}]{sup 2-} chain and layered [Cu{sub 6}As{sub 2}S{sub 6}] linked to form a three-dimensional anionic framework, [Cu{sub 4}AsS{sub 4}]{sup -}, and containing channels in which the potassium cationsmore » reside. - Graphical abstract: Qne layered CsCu{sub 2}AsS{sub 3} and one framework KCu{sub 4}AsS{sub 4} possessing noncondensed [AsS{sub 3}]{sup 3-} unit have been synthesized solvothermally. The optical band gaps of the two compounds are 2.3 and 1.8 eV, respectively. Highlights: Black-Right-Pointing-Pointer We obtained two new copper(I)-thioarsenate(III), CsCu{sub 2}AsS{sub 3} and KCu{sub 4}AsS{sub 4}. Black-Right-Pointing-Pointer Both compounds possess noncondensed [AsS{sub 3}]{sup 3-} unit and represent new structure types. Black-Right-Pointing-Pointer The optical band gaps of the two compounds are 2.3 eV and 1.8 eV, respectively.« less

  17. 3D MHD MODELING OF TWISTED CORONAL LOOPS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reale, F.; Peres, G.; Orlando, S.

    We perform MHD modeling of a single bright coronal loop to include the interaction with a non-uniform magnetic field. The field is stressed by random footpoint rotation in the central region and its energy is dissipated into heating by growing currents through anomalous magnetic diffusivity that switches on in the corona above a current density threshold. We model an entire single magnetic flux tube in the solar atmosphere extending from the high- β chromosphere to the low- β corona through the steep transition region. The magnetic field expands from the chromosphere to the corona. The maximum resolution is ∼30 km.more » We obtain an overall evolution typical of loop models and realistic loop emission in the EUV and X-ray bands. The plasma confined in the flux tube is heated to active region temperatures (∼3 MK) after ∼2/3 hr. Upflows from the chromosphere up to ∼100 km s{sup −1} fill the core of the flux tube to densities above 10{sup 9} cm{sup −3}. More heating is released in the low corona than the high corona and is finely structured both in space and time.« less

  18. A novel BLyS antagonist peptide designed based on the 3-D complex structure of BCMA and BLyS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sun Jian; Feng Jiannan; Li Yan

    2006-08-11

    B lymphocyte stimulator (BLyS) is a member of tumor necrosis factor (TNF) family. Because of its roles in autoimmune diseases such as systemic lupus erythematosus (SLE), rheumatoid arthritis (RA), and Sjogren syndrome (SS), BLyS antagonists have been tested to treat SLE- and RA-like symptoms in mice and obtained optimistic results. So far, reported BLyS antagonists were mostly decoyed BLyS receptors or anti-BLyS antibodies. In this study, a novel BLyS antagonist peptide, PT, was designed based on the modeling 3-D complex structure of BCMA and BLyS. The interaction mode of PT with BLyS was analyzed theoretically. The results of competitive ELISAmore » demonstrated that PT could inhibit the binding of BCMA-Fc and anti-BLyS antibody to BLyS in vitro. In addition, PT could partly block the proliferating activity of BLyS on mice splenocytes. The BLyS antagonizing activity of PT was significant (p < 0.05). This study highlights the possibility of using BLyS antagonist peptide to neutralize BLyS activity. Further optimization of PT with computer-guided molecular design method to enhance its biopotency may be useful in developing new BLyS antagonists to treat BLyS-related autoimmune diseases.« less

  19. Modeling Ozone in the Eastern U.S. using a Fuel-Based Mobile Source Emissions Inventory.

    PubMed

    McDonald, Brian C; McKeen, Stuart A; Cui, Yu Yan; Ahmadov, Ravan; Kim, Si-Wan; Frost, Gregory J; Pollack, Ilana B; Peischl, Jeff; Ryerson, Thomas B; Holloway, John S; Graus, Martin; Warneke, Carsten; Gilman, Jessica B; de Gouw, Joost A; Kaiser, Jennifer; Keutsch, Frank N; Hanisco, Thomas F; Wolfe, Glenn M; Trainer, Michael

    2018-06-22

    Recent studies suggest overestimates in current U.S. emission inventories of nitrogen oxides (NO x = NO + NO 2 ). Here, we expand a previously developed fuel-based inventory of motor-vehicle emissions (FIVE) to the continental U.S. for the year 2013, and evaluate our estimates of mobile source emissions with the U.S. Environmental Protection Agency's National Emissions Inventory (NEI) interpolated to 2013. We find that mobile source emissions of NO x and carbon monoxide (CO) in the NEI are higher than FIVE by 28% and 90%, respectively. Using a chemical transport model, we model mobile source emissions from FIVE, and find consistent levels of urban NO x and CO as measured during the Southeast Nexus (SENEX) Study in 2013. Lastly, we assess the sensitivity of ozone (O 3 ) over the Eastern U.S. to uncertainties in mobile source NO x emissions and biogenic volatile organic compound (VOC) emissions. The ground-level O 3 is sensitive to reductions in mobile source NO x emissions, most notably in the Southeastern U.S. and during O 3 exceedance events, under the revised standard proposed in 2015 (>70 ppb, 8 h maximum). This suggests that decreasing mobile source NO x emissions could help in meeting more stringent O 3 standards in the future.

  20. Emission of hydrogen sulfide (H2S) at a waterfall in a sewer: study of main factors affecting H2S emission and modeling approaches.

    PubMed

    Jung, Daniel; Hatrait, Laetitia; Gouello, Julien; Ponthieux, Arnaud; Parez, Vincent; Renner, Christophe

    2017-11-01

    Hydrogen sulfide (H 2 S) represents one of the main odorant gases emitted from sewer networks. A mathematical model can be a fast and low-cost tool for estimating its emission. This study investigates two approaches to modeling H 2 S gas transfer at a waterfall in a discharge manhole. The first approach is based on an adaptation of oxygen models for H 2 S emission at a waterfall and the second consists of a new model. An experimental set-up and a statistical data analysis allowed the main factors affecting H 2 S emission to be studied. A new model of the emission kinetics was developed using linear regression and taking into account H 2 S liquid concentration, waterfall height and fluid velocity at the outlet pipe of a rising main. Its prediction interval was estimated by the residual standard deviation (15.6%) up to a rate of 2.3 g H 2 S·h -1 . Finally, data coming from four sampling campaigns on sewer networks were used to perform simulations and compare predictions of all developed models.

  1. Polyamine FTX-3.3 and polyamine amide sFTX-3.3 inhibit presynaptic calcium currents and acetylcholine release at mouse motor nerve terminals.

    PubMed

    Fatehi, M; Rowan, E G; Harvey, A L; Moya, E; Blagbrough, I S

    1997-02-01

    FTX-3.3 is the proposed structure of a calcium-channel blocking toxin that has been isolated from the funnel web spider (Agelenopsis aperta). The effects of FTX-3.3 and one of its analogues, sFTX-3.3, on acetylcholine release, on presynaptic currents at mouse motor nerve terminals and on whole-cell sodium currents in SK.N.SH cells (a human neuroblastoma cell line) have been studied. FTX-3.3 (10-30 microM) and sFTX-3.3 (100-300 microM) reversibly reduced release of acetylcholine by approximately 70-90% and 40-60%, respectively. FTX-3.3 (10 microM) blocked the fast component of presynaptic calcium currents by approximately 60%. sFTX-3.3 (100 microM) reduced the duration of the slow component of presynaptic calcium currents by about 50% of the control and also reduced presynaptic sodium current by approximately 20% of the control. sFTX-3.3 (100 microM) reduced whole-cell sodium current recorded from SK.N.SH cells by approximately 15%, whereas FTX-3.3, even at 200 microM, did not affect this current. Since the only difference in chemical structures of these toxins is that sFTX-3.3 has an amide function which is absent in FTX-3.3, the amide function may be responsible for the reduced potency and selectivity of sFTX-3.3. This study also provides further support for the existence of P-type calcium channels at mouse motor nerve terminals.

  2. Toward the S3DVAR data assimilation software for the Caspian Sea

    NASA Astrophysics Data System (ADS)

    Arcucci, Rossella; Celestino, Simone; Toumi, Ralf; Laccetti, Giuliano

    2017-07-01

    Data Assimilation (DA) is an uncertainty quantification technique used to incorporate observed data into a prediction model in order to improve numerical forecasted results. The forecasting model used for producing oceanographic prediction into the Caspian Sea is the Regional Ocean Modeling System (ROMS). Here we propose the computational issues we are facing in a DA software we are developing (we named S3DVAR) which implements a Scalable Three Dimensional Variational Data Assimilation model for assimilating sea surface temperature (SST) values collected into the Caspian Sea with observations provided by the Group of High resolution sea surface temperature (GHRSST). We present the algorithmic strategies we employ and the numerical issues on data collected in two of the months which present the most significant variability in water temperature: August and March.

  3. 7 CFR 51.3053 - U.S. No. 3.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Regulations of the Department of Agriculture AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing Practices), DEPARTMENT OF AGRICULTURE REGULATIONS AND STANDARDS UNDER THE AGRICULTURAL MARKETING ACT OF 1946... Standards for Florida Avocados Grades § 51.3053 U.S. No. 3. “U.S. No. 3” consists of avocados of similar...

  4. Laboratory measurements of P- and S-wave anisotropy in synthetic rocks by 3D printing

    NASA Astrophysics Data System (ADS)

    Kong, L.; Ostadhassan, M.; Tamimi, N.; Li, C.; Alexeyev, A.

    2017-12-01

    Synthetic rocks have been widely used to realize the models with controlled factors in rock physics and geomechanics experiments. Additive manufacturing technology, known as 3D printing, is becoming a popular method to produce the synthetic rocks as the advantages of timesaving, economics, and control. In terms of mechanical properties, the duplicability of 3D printed rock towards a natural rock has been studied whereas the seismic anisotropy still remains unknown as being the key factor in conducting rock physics experiments. This study utilized a 3D printer with gypsum as the ink to manufacture a series of synthetic rocks that have the shapes of octagonal prisms, with half of them printed from lateral and another half from the bottom. An ultrasonic investigation system was set up to measure the P- and S- wave velocities at different frequencies while samples were under dry conditions. The results show the impact of layered property on the P- and S- wave velocities. The measurement results were compared with the predicted results of Hudson model, demonstrating that the synthetic rock from 3D printing is a transverse isotropic model. The seismic anisotropy indicates that the availability of using 3D printed rocks to duplicate natural rocks for the purpose of recreating the experiments of rock physics. Future experiments will be performed on the dependence of seismic anisotropy on fracture geometry and density in 3D printed synthetic rocks.

  5. Magic wavelengths for the 6{s}^{2}{}^{1}{S}_{0}{--}6s6p{}^{3}{P}_{1}^{o} transition in ytterbium atom

    NASA Astrophysics Data System (ADS)

    Tang, Zhi-Ming; Yu, Yan-Mei; Jiang, Jun; Dong, Chen-Zhong

    2018-06-01

    The static and dynamic electric dipole polarizabilities of the 6{s}2{}1{S}0 and 6s6p{}3{P}1o states of Yb are calculated by using the relativistic ab initio method. Focusing on the red detuning region to the 6{s}2{}1{S}0{--}6s6p{}3{P}1o transition, we find two magic wavelengths at 1035.7(2) and 612.9(2) nm for the 6{s}2{}1{S}0{--}6s6p{}3{P}1o,{M}J=0 transition and three magic wavelengths at 1517.68(6), 1036.0(3) and 858(12) nm for the 6{s}2{}1{S}0{--}6s6p{}3{P}1o,{M}J=+/- 1 transitions. Such magic wavelengths are of particular interest for attaining the state-insensitive cooling, trapping, and quantum manipulation of neutral Yb atom.

  6. Stat3-induced S1PR1 expression is critical for persistent Stat3 activation in tumors

    PubMed Central

    Lee, Heehyoung; Deng, Jiehui; Kujawski, Maciej; Yang, Chunmei; Liu, Yong; Herrmann, Andreas; Kortylewski, Marcin; Horne, David; Somlo, George; Forman, Stephen; Jove, Richard; Yu, Hua

    2011-01-01

    IL-6/Jak2 signaling is viewed critical for persistent Stat3 activation in cancer. However, IL-6-induced Stat3 activity is transient in normal physiology. Here we identify a mechanism important for persistent Stat3 activation in tumor cells and the tumor microenvironment. We show that sphingosine-1-phosphate receptor 1 (S1PR1), a G-protein-coupled receptor for lysophospholipid sphingosine-1-phosphate (S1P), is elevated in Stat3-positive tumors. Stat3 is a transcription factor for the S1pr1 gene. Enhanced S1pr1 expression activates Stat3 and upregulates Il6 gene expression, thereby accelerating tumor growth and metastasis. Conversely, silencing S1pr1 in tumor cells or immune cells inhibits tumor Stat3 activity, tumor growth and metastasis. S1P/S1PR1-induced Stat3 activation is persistent, in contrast to transient Stat3 activation by IL-6. S1PR1 activates Stat3 in part by upregulating Jak2 tyrosine kinase activity. We demonstrate that Stat3-induced S1pr1 expression, as well as S1P/S1PR1 pathway, is important for persistent Stat3 activation in cancer cells and the tumor microenvironment and for malignant progression. PMID:21102457

  7. 3D photoionization models of nova V723 Cas

    NASA Astrophysics Data System (ADS)

    Takeda, L.; Diaz, M.; Campbell, R.; Lyke, J.

    2018-01-01

    We present modelling and analysis of the ejecta of nova V723 Cas based on spatially resolved infrared spectroscopic data from Keck-OSIRIS, with LGSAO (adaptive optics module). The 3D photoionization models include the shell geometry taken from the observations and an anisotropic radiation field, composed by a spherical central source and an accretion disc. Our simulations indicate revised abundances log(NAl/NH) = -5.4, log(NCa/NH) = -6.4 and log(NSi/NH) = -4.7 in the shell. The total ejected mass was found as Mshell = 1.1 × 10-5 M⊙ and the central source temperature and luminosity are T = 280 000 K and L = 1038 erg s-1. The 3D models are compared to basic 1D simulations to demonstrate the importance of using more realistic treatments, stressing the differences in the shell mass, abundances and characterization of the central source. The possibility of V723 Cas being a neon nova and the puzzling central source features found are discussed.

  8. Crashworthiness analysis using advanced material models in DYNA3D

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Logan, R.W.; Burger, M.J.; McMichael, L.D.

    1993-10-22

    As part of an electric vehicle consortium, LLNL and Kaiser Aluminum are conducting experimental and numerical studies on crashworthy aluminum spaceframe designs. They have jointly explored the effect of heat treat on crush behavior and duplicated the experimental behavior with finite-element simulations. The major technical contributions to the state of the art in numerical simulation arise from the development and use of advanced material model descriptions for LLNL`s DYNA3D code. Constitutive model enhancements in both flow and failure have been employed for conventional materials such as low-carbon steels, and also for lighter weight materials such as aluminum and fiber compositesmore » being considered for future vehicles. The constitutive model enhancements are developed as extensions from LLNL`s work in anisotropic flow and multiaxial failure modeling. Analysis quality as a function of level of simplification of material behavior and mesh is explored, as well as the penalty in computation cost that must be paid for using more complex models and meshes. The lightweight material modeling technology is being used at the vehicle component level to explore the safety implications of small neighborhood electric vehicles manufactured almost exclusively from these materials.« less

  9. Antidepressant Potential of (R)-Ketamine in Rodent Models: Comparison with (S)-Ketamine.

    PubMed

    Fukumoto, Kenichi; Toki, Hidetoh; Iijima, Michihiko; Hashihayata, Takashi; Yamaguchi, Jun-Ichi; Hashimoto, Kenji; Chaki, Shigeyuki

    2017-04-01

    The rapid-acting and long-lasting antidepressant effects of ( R,S )-ketamine have recently gained much attention. Although ( S )-ketamine has been studied as an active isomer, recent evidence suggests that ( R )-ketamine exhibits longer-lasting antidepressant effects than ( S )-ketamine in rodents. However, the antidepressant potential of ( R )-ketamine has not been fully addressed. In the present study, we compared the antidepressant effects of ( R )-ketamine with those of ( S )-ketamine in animal models of depression, including a model that is refractory to current medications. Both ( R )-ketamine and ( S )-ketamine exhibited antidepressant effects at 30 minutes as well as at 24 hours after administration in forced-swimming and tail-suspension tests in mice. At 48 hours after administration, however, ( R )-ketamine still exerted a significant antidepressant effect in the tail-suspension test, whereas the effect of ( S )-ketamine was no longer observed. Moreover, ( R )-ketamine, but not ( S )-ketamine, significantly reversed the depressive-like behavior induced by repeated treatments with corticosterone in rats at 24 hours after a single administration. This effect was attenuated by an α -amino-3-hydroxy-5-methylisoxazole-4-propionate (AMPA) receptor antagonist, suggesting the involvement of AMPA receptor stimulation in the effects. Both ( R )-ketamine and ( S )-ketamine exhibited practically the same exposure levels in plasma, brain, and cerebrospinal fluid in mice and rats, and both compounds were rapidly eliminated from plasma (<4-8 hours). The present results confirmed the previous findings that ( R )-ketamine exerted longer-lasting antidepressant effects than ( S )-ketamine in animal models of depression. Moreover, our study is the first to demonstrate that ( R )-ketamine exerted a sustained antidepressant effect even in a model that is refractory to currently prescribed antidepressants. Copyright © 2017 by The American Society for Pharmacology and

  10. Development Instrument’s Learning of Physics Through Scientific Inquiry Model Based Batak Culture to Improve Science Process Skill and Student’s Curiosity

    NASA Astrophysics Data System (ADS)

    Nasution, Derlina; Syahreni Harahap, Putri; Harahap, Marabangun

    2018-03-01

    This research aims to: (1) developed a instrument’s learning (lesson plan, worksheet, student’s book, teacher’s guide book, and instrument test) of physics learning through scientific inquiry learning model based Batak culture to achieve skills improvement process of science students and the students’ curiosity; (2) describe the quality of the result of develop instrument’s learning in high school using scientific inquiry learning model based Batak culture (lesson plan, worksheet, student’s book, teacher’s guide book, and instrument test) to achieve the science process skill improvement of students and the student curiosity. This research is research development. This research developed a instrument’s learning of physics by using a development model that is adapted from the development model Thiagarajan, Semmel, and Semmel. The stages are traversed until retrieved a valid physics instrument’s learning, practical, and effective includes :(1) definition phase, (2) the planning phase, and (3) stages of development. Test performed include expert test/validation testing experts, small groups, and test classes is limited. Test classes are limited to do in SMAN 1 Padang Bolak alternating on a class X MIA. This research resulted in: 1) the learning of physics static fluid material specially for high school grade 10th consisted of (lesson plan, worksheet, student’s book, teacher’s guide book, and instrument test) and quality worthy of use in the learning process; 2) each component of the instrument’s learning meet the criteria have valid learning, practical, and effective way to reach the science process skill improvement and curiosity in students.

  11. Inhibition of STAT3 activity delays obesity-induced thyroid carcinogenesis in a mouse model

    PubMed Central

    Park, Jeong Won; Han, Cho Rong; Zhao, Li; Willingham, Mark C.; Cheng, Sheue-yann

    2015-01-01

    Compelling epidemiologic studies indicate that obesity is a risk factor for many human cancers, including thyroid cancer. In recent decades, the incidence of thyroid cancer has dramatically increased along with a marked rise in obesity prevalence. We previously demonstrated that a high fat diet (HFD) effectively induced the obese phenotype in a mouse model of thyroid cancer (ThrbPV/PVPten+/− mice). Moreover, HFD activates the STAT3 signal pathway to promote more aggressive tumor phenotypes. The aim of the present study was to evaluate the effect of S3I-201, a specific inhibitor of STAT3 activity, on HFD-induced aggressive cancer progression in the mouse model of thyroid cancer. Wild type and ThrbPV/PVPten+/− mice were treated with HFD together with S3I-201 or vehicle-only as controls. We assessed the effects of S3I-201 on HFD-induced thyroid cancer progression, the leptin-JAK2-STAT3 signaling pathway, and key regulators of epithelial-mesenchymal transition. S3I-201 effectively inhibited HFD-induced aberrant activation of STAT3 and its downstream targets to markedly inhibit thyroid tumor growth and to prolong survival. Decreased protein levels of cyclins D1 and B1, cyclin dependent kinase (CDK) 4, CDK 6, and phosphorylated retinoblastoma protein led to the inhibition of tumor cell proliferation in S3I-201-treated ThrbPV/PVPten+/− mice. Reduced occurrence of vascular invasion and blocking of anaplasia and lung metastasis in thyroid tumors of S3I-201-treated ThrbPV/PVPten+/− mice were mediated via decreased expression of vimentin and matrix metalloproteinases, two key effectors of epithelial-mesenchymal transition. The present findings suggest that inhibition of the STAT3 activity would be a novel treatment strategy for obesity-induced thyroid cancer. PMID:26552408

  12. AdS black disk model for small-x DIS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cornalba, Lorenzo; Costa, Miguel S.; Penedones, Joao

    2011-05-23

    Using the approximate conformal invariance of QCD at high energies we consider a simple AdS black disk model to describe saturation in DIS. Deep inside saturation the structure functions have the same power law scaling, F{sub T}{approx}F{sub L}{approx}{sup -}{omega}, where {omega} is related to the expansion rate of the black disk with energy. Furthermore, the ratio F{sub L}/F{sub T} is given by the universal value (1+{omega}/3+{omega}), independently of the target.

  13. [Estimating medicinal yield of Seutellaria baicalensis in Beijing-Tianjin-Hebei region based on 3S technology].

    PubMed

    Liu, Jin-xinp; Lu, Heng; Zeng, Yan; Yue, Jian-wei; Meng, Fan-yun; Zhang, Yi-guang

    2012-09-01

    Resources survey of traditional Chinese medicine and reserves estimation are found to be the most important issues for the protection and utilization of traditional Chinese medicine resources, this paper used multi-spatial resolution remote sensing images (RS) , geographic information systems (GIS) and global positioning system (GPS) , to establish Scutellaria resources survey of 3S data platform. Combined with the traditional field survey methods, small-scale habitat types were established based on different skullcap reserve estimation model, which can estimate reserves of the wild Scutellaria in Beijing-Tianjin-Hebei region and improve the estimation accuracy. It can provide an important parameter for the fourth national survey of traditional Chinese medicine resources and traditional Chinese medicine reserves estimates based on 3S technology by multiple spatial scales model.

  14. Distribution-centric 3-parameter thermodynamic models of partition gas chromatography.

    PubMed

    Blumberg, Leonid M

    2017-03-31

    If both parameters (the entropy, ΔS, and the enthalpy, ΔH) of the classic van't Hoff model of dependence of distribution coefficients (K) of analytes on temperature (T) are treated as the temperature-independent constants then the accuracy of the model is known to be insufficient for the needed accuracy of retention time prediction. A more accurate 3-parameter Clarke-Glew model offers a way to treat ΔS and ΔH as functions, ΔS(T) and ΔH(T), of T. A known T-centric construction of these functions is based on relating them to the reference values (ΔS ref and ΔH ref ) corresponding to a predetermined reference temperature (T ref ). Choosing a single T ref for all analytes in a complex sample or in a large database might lead to practically irrelevant values of ΔS ref and ΔH ref for those analytes that have too small or too large retention factors at T ref . Breaking all analytes in several subsets each with its own T ref leads to discontinuities in the analyte parameters. These problems are avoided in the K-centric modeling where ΔS(T) and ΔS(T) and other analyte parameters are described in relation to their values corresponding to a predetermined reference distribution coefficient (K Ref ) - the same for all analytes. In this report, the mathematics of the K-centric modeling are described and the properties of several types of K-centric parameters are discussed. It has been shown that the earlier introduced characteristic parameters of the analyte-column interaction (the characteristic temperature, T char , and the characteristic thermal constant, θ char ) are a special chromatographically convenient case of the K-centric parameters. Transformations of T-centric parameters into K-centric ones and vice-versa as well as the transformations of one set of K-centric parameters into another set and vice-versa are described. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. ZnS/Al2S3 Layer as a Blocking Layer in Quantum Dot Sensitized Solar Cells

    NASA Astrophysics Data System (ADS)

    Vafapoor, Borzoo; Fathi, Davood; Eskandari, Mehdi

    2017-12-01

    In this research, the effect of treatment of the CdS/CdSe sensitized ZnO photoanode by ZnS, Al2S3, and ZnS/Al2S3 nanoparticles as a barrier layer on the performance of quantum dot sensitized solar cell is investigated. Current density-voltage (J-V) characteristics show that cell efficiency is enhanced from 3.62% to 4.82% with treatment of a CdS/CdSe/ZnS sensitized ZnO photoanode by Al2S3 nanoparticles. In addition, short- circuit current density (J sc) is increased from 11.5 mA/cm2 to 14.8 mA/cm2. The results extracted from electrochemical impedance spectroscopy indicate that charge transfer resistance (R ct) in photoanode/electrolyte interfaces decreases with deposition of Al2S3 nanoparticles on CdS/CdSe/ZnS sensitized ZnO photoanodes, while the chemical capacitance of photoanode (C μ ) and electron lifetime (t n) increase. Also, results revealed that cell performance is considerably decreased with the treatment of the AL2S3 blocking layer incorporated between ZnO nanorods and CdS/CdSe QDs.

  16. ZnS/Al2S3 Layer as a Blocking Layer in Quantum Dot Sensitized Solar Cells

    NASA Astrophysics Data System (ADS)

    Vafapoor, Borzoo; Fathi, Davood; Eskandari, Mehdi

    2018-03-01

    In this research, the effect of treatment of the CdS/CdSe sensitized ZnO photoanode by ZnS, Al2S3, and ZnS/Al2S3 nanoparticles as a barrier layer on the performance of quantum dot sensitized solar cell is investigated. Current density-voltage ( J- V) characteristics show that cell efficiency is enhanced from 3.62% to 4.82% with treatment of a CdS/CdSe/ZnS sensitized ZnO photoanode by Al2S3 nanoparticles. In addition, short- circuit current density ( J sc) is increased from 11.5 mA/cm2 to 14.8 mA/cm2. The results extracted from electrochemical impedance spectroscopy indicate that charge transfer resistance ( R ct) in photoanode/electrolyte interfaces decreases with deposition of Al2S3 nanoparticles on CdS/CdSe/ZnS sensitized ZnO photoanodes, while the chemical capacitance of photoanode ( C μ ) and electron lifetime ( t n) increase. Also, results revealed that cell performance is considerably decreased with the treatment of the AL2S3 blocking layer incorporated between ZnO nanorods and CdS/CdSe QDs.

  17. 2D double-layer-tube-shaped structure Bi2S3/ZnS heterojunction with enhanced photocatalytic activities

    NASA Astrophysics Data System (ADS)

    Gao, Xiaoming; Wang, Zihang; Fu, Feng; Li, Xiang; Li, Wenhong

    2015-10-01

    Bi2S3/ZnS heterojunction with 2D double-layer-tube-shaped structures was prepared by the facile synthesis method. The corresponding relationship was obtained among loaded content to phase, morphology, and optical absorption property of Bi2S3/ZnS composite. The results shown that Bi2S3 loaded could evidently change the crystallinity of ZnS, enhance the optical absorption ability for visible light of ZnS, and improve the morphologies and microstructure of ZnS. The photocatalytic activities of the Bi2S3/ZnS sample were evaluated for the photodegradation of phenol and desulfurization of thiophene under visible light irradiation. The results showed that Bi2S3 loaded greatly improved the photocatalytic activity of ZnS, and the content of loaded Bi2S3 had an impact on the catalytic activity of ZnS. Moreover, the mechanism of enhanced photocatalytic activity was also investigated by analysis of relative band positions of Bi2S3 and ZnS, and photo-generated hole was main active radicals during photocatalytic oxidation process.

  18. Two Virasoro symmetries in stringy warped AdS 3

    DOE PAGES

    Compere, Geoffrey; Guica, Monica; Rodriguez, Maria J.

    2014-12-02

    We study three-dimensional consistent truncations of type IIB supergravity which admit warped AdS 3 solutions. These theories contain subsectors that have no bulk dynamics. We show that the symplectic form for these theories, when restricted to the non-dynamical subsectors, equals the symplectic form for pure Einstein gravity in AdS 3. Consequently, for each consistent choice of boundary conditions in AdS 3, we can define a consistent phase space in warped AdS 3 with identical conserved charges. This way, we easily obtain a Virasoro × Virasoro asymptotic symmetry algebra in warped AdS 3; two different types of Virasoro × Kač-Moody symmetriesmore » are also consistent alternatives. Next, we study the phase space of these theories when propagating modes are included. We show that, as long as one can define a conserved symplectic form without introducing instabilities, the Virasoro × Virasoro asymptotic symmetries can be extended to the entire (linearised) phase space. In conclusion, this implies that, at least at semi-classical level, consistent theories of gravity in warped AdS 3 are described by a two-dimensional conformal field theory, as long as stability is not an issue.« less

  19. Two Virasoro symmetries in stringy warped AdS 3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Compere, Geoffrey; Guica, Monica; Rodriguez, Maria J.

    We study three-dimensional consistent truncations of type IIB supergravity which admit warped AdS 3 solutions. These theories contain subsectors that have no bulk dynamics. We show that the symplectic form for these theories, when restricted to the non-dynamical subsectors, equals the symplectic form for pure Einstein gravity in AdS 3. Consequently, for each consistent choice of boundary conditions in AdS 3, we can define a consistent phase space in warped AdS 3 with identical conserved charges. This way, we easily obtain a Virasoro × Virasoro asymptotic symmetry algebra in warped AdS 3; two different types of Virasoro × Kač-Moody symmetriesmore » are also consistent alternatives. Next, we study the phase space of these theories when propagating modes are included. We show that, as long as one can define a conserved symplectic form without introducing instabilities, the Virasoro × Virasoro asymptotic symmetries can be extended to the entire (linearised) phase space. In conclusion, this implies that, at least at semi-classical level, consistent theories of gravity in warped AdS 3 are described by a two-dimensional conformal field theory, as long as stability is not an issue.« less

  20. Magneto-transport properties of proposed triply degenerate topological semimetal Pd3Bi2S2

    NASA Astrophysics Data System (ADS)

    Roy, Shubhankar; Pariari, Arnab; Singha, Ratnadwip; Satpati, Biswarup; Mandal, Prabhat

    2018-04-01

    We report transport properties of single-crystalline Pd3Bi2S2, which has been predicted to host an unconventional electronic phase of matter beyond three-dimensional Dirac and Weyl semimetals. Similar to several topological systems, the resistivity shows field-induced metal to semiconductor-like crossover at low temperature. Large, anisotropic, and non-saturating magnetoresistance has been observed in the transverse experimental configuration. At 2 K and 9 T, the MR value reaches as high as ˜1.1 × 103%. Hall resistivity reveals the presence of two types of charge carriers and has been analyzed using the two-band model. In spite of the large density (>1021 cm-3), the mobility of charge carriers is found to be quite high (˜ 0.75 × 104 cm2 V-1 s-1 for the hole and ˜ 0.3 × 104 cm2 V-1 s-1 for the electron). The observed magneto-electrical properties indicate that Pd3Bi2S2 may be a new member of the topological semimetal family, which can have a significant impact in technological applications.

  1. Reinvestigation of the uranium(3.5+) rare-earth oxysulfides "(UO)2LnS3" (Ln = Yb, Y).

    PubMed

    Jin, Geng Bang; Choi, Eun Sang; Ibers, James A

    2009-09-07

    Dark-red square plates of the previously reported compounds "(UO)(2)LnS(3)" (Ln = Yb, Y) have been synthesized by solid-state reactions of UOS and YbS or Y(2)S(3) with Sb(2)S(3) as a flux at 1273 K. The structure of these isotypic compounds was reinvestigated by single-crystal X-ray diffraction methods and an inductively coupled plasma experiment. The actual formula of "(UO)(2)LnS(3)" (Ln = Yb, Y) is (U(0.5)Ln(0.5)O)(2)LnS(3), that is, ULn(2)O(2)S(3), which can be charge-balanced with U(4+) and Ln(3+). The layered structure comprises (U/Ln)O(4)S(4) square antiprisms alternating with LnS(6) octahedra. U and Ln1 atoms disorder on the eight-coordinate metal position, but Ln2 atoms occupy the six-coordinate metal position exclusively. UYb(2)O(2)S(3) is a modified Curie-Weiss paramagnet between 293 and 32 K, below which part of the paramagnetic moments go through a possible ferromagnetic transition. The band gaps of ULn(2)O(2)S(3) (Ln = Yb, Y) are around 2 eV.

  2. 3 CFR 8351 - Proclamation 8351 of March 3, 2009. Women’s History Month, 2009

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 3 The President 1 2010-01-01 2010-01-01 false Proclamation 8351 of March 3, 2009. Womenâs History..., 2009 Proc. 8351 Women’s History Month, 2009By the President of the United States of America A... during Women’s History Month, we remember and celebrate women from all walks of life who have shaped this...

  3. Hydrazine solution processed Sb2S3, Sb2Se3 and Sb2(S1−xSex)3 film: molecular precursor identification, film fabrication and band gap tuning

    PubMed Central

    Yang, Bo; Xue, Ding-Jiang; Leng, Meiying; Zhong, Jie; Wang, Liang; Song, Huaibing; Zhou, Ying; Tang, Jiang

    2015-01-01

    Sb2(S1−xSex)3 (0 ≤ x ≤ 1) compounds have been proposed as promising light-absorbing materials for photovoltaic device applications. However, no systematic study on the synthesis and characterization of polycrystalline Sb2(S1−xSex)3 thin films has been reported. Here, using a hydrazine based solution process, single-phase Sb2(S1−xSex)3 films were successfully obtained. Through Raman spectroscopy, we have investigated the dissolution mechanism of Sb in hydrazine: 1) the reaction between Sb and S/Se yields [Sb4S7]2-/[Sb4Se7]2- ions within their respective solutions; 2) in the Sb-S-Se precursor solutions, Sb, S, and Se were mixed on a molecular level, facilitating the formation of highly uniform polycrystalline Sb2(S1−xSex)3 thin films at a relatively low temperature. UV-vis-NIR transmission spectroscopy revealed that the band gap of Sb2(S1−xSex)3 alloy films had a quadratical relationship with the Se concentration x and it followed the equation , where the bowing parameter was 0.118 eV. Our study provides a valuable guidance for the adjustment and optimization of the band gap in hydrazine solution processed Sb2(S1−xSex)3 alloy films for the future fabrication of improved photovoltaic devices. PMID:26042519

  4. Experimental and theoretical study of pure and doped crystals: Gd2O2S, Gd2O2S:Eu3+ and Gd2O2S:Tb3+

    NASA Astrophysics Data System (ADS)

    Wang, Fei; Chen, Xiumin; Liu, Dachun; Yang, Bin; Dai, Yongnian

    2012-08-01

    Quantum chemistry and experimental method were used to study on pure and doped Gd2O2S crystals in this paper. The band structure and DOS diagrams of pure and doped Gd2O2S crystals which calculated by using DFT (Density Functional Theory) method were illustrated to explain the luminescent properties of impurities in crystals. The calculations of the crystal structure were finished by using the program of CASTEP (Cambridge Sequential Total Energy Package). The samples showed the characteristic emissions of Tb3+ ions with 5D4-7FJ transitions and Eu3+ ions with 5D0-7FJ transitions which emit pure green luminescence and red luminescence respectively. The experimental excitation spectra of Tb3+ and Eu3+ doped Gd2O2S are in agreement of the DOS diagrams over the explored energy range, which has allowed a better understanding of different luminescence mechanisms of Tb3+ and Eu3+ in Gd2O2S crystals.

  5. Revised Atomistic Models of the Crystal Structure of C-S-H with high C/S Ratio

    NASA Astrophysics Data System (ADS)

    Kovačević, Goran; Nicoleau, Luc; Nonat, André; Veryazov, Valera

    2016-09-01

    The atomic structure of calcium-silicate-hydrate (C1.67-S-Hx) has been studied. Atomistic C-S-H models suggested in our previous study have been revised in order to perform a direct comparison of energetic stability of the different structures. An extensive set of periodic structures of C-S-H with variation of water content was created, and then optimized using molecular dynamics with reactive force field ReaxFF and quantum chemical semiempirical method PM6. All models show organization of water molecules inside the structure of C-S-H. The new geometries of C-S-H, reported in this paper, show lower relative energy with respect to the geometries from the original definition of C-S-H models. Model that corresponds to calcium enriched tobermorite structure has the lowest relative energy and the density closest to the experimental values.

  6. GRAVIMETRIC DETERMINATION OF PLATINIUM, PALLADIUM, RUTHENIUM, RHODIUM AS TlPtS$sub 3$, TlPd$sub 2$S$sub 3$, TlRu$sub 2$S$sub 6$, TlRh$sub 2$S$sub 4$ (in Russian)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rudnev, N.A.; Malofeeva, G.I.

    1963-07-01

    Gravimetric methods were developed for the determination of microamounts of Ru, Rh, Pt, and Pd as TlRu/sub 2/S/sub 6/, TlRh/sub 2/S/sub 4/ TlPtS/sub 3/, and TlPd/sub 2/S/sub 3/. The methods are simpl e, rapid, and satisfactorily accurate. (auth)

  7. Understanding diet and modeling changes in the omega-3 and omega-6 fatty acid composition of U.S. garrison foods for active duty personnel.

    PubMed

    Marriott, Bernadette P; Yu, Karina; Majchrzak-Hong, Sharon; Johnson, Jeremiah; Hibbeln, Joseph R

    2014-11-01

    Research indicates that dietary omega-3 and omega-6 polyunsaturated fatty acids (PUFAs) are important in reducing the risk of mental illness. We used the DoD Survey of Health Related Behaviors among Active Duty Military Personnel (HRBS) to assess current military dietary patterns and meal locations. We used the Lands Equation to model PUFAs in a sample Garrison diet and the nutritional impact of substitution of foods higher in omega-3 PUFAs and lower in omega-6 PUFAs on tissue composition. The military diet was very poor quality compared to 2010 Healthy People Guidelines. A representative Garrison diet does not meet our estimated healthy n-3 HUFA intake at 3.5 g/d, corresponding with a tissue composition of 60% n-3 in HUFA (i.e., 40% n-6 in HUFA). Substitution of n-3 rich eggs, poultry, pork and other food commodities, combined with use on low linoleic acid oils, may contribute significantly to attaining healthier n-6/n-3 proportions in the tissue. Reprint & Copyright © 2014 Association of Military Surgeons of the U.S.

  8. Radiosity diffusion model in 3D

    NASA Astrophysics Data System (ADS)

    Riley, Jason D.; Arridge, Simon R.; Chrysanthou, Yiorgos; Dehghani, Hamid; Hillman, Elizabeth M. C.; Schweiger, Martin

    2001-11-01

    We present the Radiosity-Diffusion model in three dimensions(3D), as an extension to previous work in 2D. It is a method for handling non-scattering spaces in optically participating media. We present the extension of the model to 3D including an extension to the model to cope with increased complexity of the 3D domain. We show that in 3D more careful consideration must be given to the issues of meshing and visibility to model the transport of light within reasonable computational bounds. We demonstrate the model to be comparable to Monte-Carlo simulations for selected geometries, and show preliminary results of comparisons to measured time-resolved data acquired on resin phantoms.

  9. A 3D Model of the Thermoelectric Microwave Power Sensor by MEMS Technology.

    PubMed

    Yi, Zhenxiang; Liao, Xiaoping

    2016-06-21

    In this paper, a novel 3D model is proposed to describe the temperature distribution of the thermoelectric microwave power sensor. In this 3D model, the heat flux density decreases from the upper surface to the lower surface of the GaAs substrate while it was supposed to be a constant in the 2D model. The power sensor is fabricated by a GaAs monolithic microwave integrated circuit (MMIC) process and micro-electro-mechanical system (MEMS) technology. The microwave performance experiment shows that the S11 is less than -26 dB over the frequency band of 1-10 GHz. The power response experiment demonstrates that the output voltage increases from 0 mV to 27 mV, while the incident power varies from 1 mW to 100 mW. The measured sensitivity is about 0.27 mV/mW, and the calculated result from the 3D model is 0.28 mV/mW. The relative error has been reduced from 7.5% of the 2D model to 3.7% of the 3D model.

  10. Quaternary rare-earth sulfides RE{sub 3}M{sub 0.5}GeS{sub 7} (RE=La–Nd, Sm; M=Co, Ni) and Y{sub 3}Pd{sub 0.5}SiS{sub 7}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Iyer, Abishek K.; Yin, Wenlong; Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621900

    The two metal-deficient series of quaternary Ge-containing sulfides RE{sub 3}M{sub 0.5}GeS{sub 7} (RE = La–Nd, Sm; M = Co, Ni), as well as the related Si-containing sulfide Y{sub 3}Pd{sub 0.5}SiS{sub 7}, were prepared by reactions of the elements at 1050 °C. Single-crystal X-ray diffraction analysis performed on all compounds confirmed noncentrosymmetric hexagonal structures (space group P6{sub 3}, Z =2) with cell parameters in the ranges of a =10.0–10.3 Å and c =5.7–5.8 Å for RE{sub 3}Co{sub 0.5}GeS{sub 7} and RE{sub 3}Ni{sub 0.5}GeS{sub 7}, or a =9.7891(3) Å and c =5.6840(4) Å for Y{sub 3}Pd{sub 0.5}SiS{sub 7}. They are classified asmore » La{sub 3}Mn{sub 0.5}SiS{sub 7}-type structures, with M atoms centred within octahedra (in contrast to La{sub 3}CuSiS{sub 7}-type structures in which M atoms occupy trigonal planar sites) and Ge atoms centred within tetrahedra, both types of polyhedra being arranged in one-dimensional stacks aligned along the c-direction. Charge balance requirements dictate half-occupancy of the M sites. However, bond valence sum arguments indicated that the M atoms are somewhat underbonded within these octahedral sites, so that there is evidence that in some compounds, they can also enter the trigonal planar site at low occupancy (~5%). Magnetic measurements on RE{sub 3}Co{sub 0.5}GeS{sub 7} (RE = Ce, Pr, Sm) revealed paramagnetic behaviour for the Ce and Pr members and apparent antiferromagnetic ordering (T{sub N} =14 K) for the Sm member; fitting to the Curie-Weiss law gave effective magnetic moments consistent with the presence of RE{sup 3+} and Co{sup 2+} species. Band structure calculations on ordered models of La{sub 3}M{sub 0.5}GeS{sub 7} (M = Co, Ni) showed that the Fermi level cuts through M 3d states in the DOS curve and supported the presence of strong M–S and Ge–S bonding interactions. - Graphical abstract: RE{sub 3}M{sub 0.5}GeS{sub 7} (M = Co, Ni) and Y{sub 3}Pd{sub 0.5}SiS{sub 7} contain M atoms partially

  11. Ginsenoside Rg3 regulates S-nitrosylation of the NLRP3 inflammasome via suppression of iNOS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yoon, Sung-Jin; Park, Jun-Young; Department of Functional Genomics, University of Science and Technology, Yuseong-gu, Daejeon

    Ginsenoside Rg3, a specific biological effector, is well-known as a major bioactive ingredient of Panax ginseng. However, its role in the inflammasome activation process remains unclear. In this report, we demonstrate that ginsenosides 20(R)-Rg3 and 20(S)-Rg3 are capable of suppressing both lethal endotoxic shock and the S-nitrosylation of the NLRP3 inflammasome by inhibiting nitric oxide (NO) production through the regulation of inducible nitric oxide synthase (iNOS) expression. In response to lipopolysaccharide (LPS), the reducing effect of 20(S)-Rg3 and 20(R)-Rg3 on nitric oxide led to an increase in the survival time of mice after lethal endotoxin-induced shock, and excess levels ofmore » NO inhibited IL-1β production via the S-nitrosylation of the NLRP3 inflammasome. In addition, ginsenosides 20(R)-Rg3 and 20(S)-Rg3 had suppressive effects on the LPS- or UV-irradiation-induced reactive oxygen species (ROS) levels in macrophage and HaCaT cells and thereby prevented apoptosis of spleen cells in mice. Altogether, these results demonstrate that ginsenoside 20(R)-Rg3 and 20(S)-Rg3, a naturally occurring compound, might act as a dual therapeutic regulator for the treatment of inflammatory and oxidative stress-related diseases. - Highlights: • Ginsenosides Rg3 inhibits NO production through the regulation of iNOS expression. • Ginsenosides Rg3 inhibits the S-nitrosylation of the NLRP3 inflammasome. • Ginsenosides Rg3 suppress on the LPS- or UV-irradiation-induced ROS levels in cells.« less

  12. IR Li2Ga2GeS6 nanocrystallized GeS2-Ga2S3-Li2S electroconductive chalcogenide glass with good nonlinearity

    PubMed Central

    Liu, Qiming; Zhang, Peng

    2014-01-01

    GeS2-Ga2S3-Li2S electroconductive glasses were prepared by the conventional melt-quenching method through carefully controlling the heating rate. Comparing with the reference of glass-forming region, our investigated GeS2-Ga2S3-Li2S system was extended to the cation ratio of 0–20% Li with around 40% Ga. GeS2-Ga2S3-Li2S glass-ceramics containing IR Li2Ga2GeS6 nonlinear nanocrystals were obtained by the more carefully controlled heating rate. Its optical nonlinearity was investigated by the Maker fringe measurements, the maximum second harmonic intensity was observed to be 0.35 of the reference Z-cut quartz. IR Li2Ga2GeS6 nonlinear crystals were directly obtained at the composition of 40GeS2-30GaS1.5-30LiS0.5. PMID:25030713

  13. Steady-State Serum T3 Concentrations for 48 Hours Following the Oral Administration of a Single Dose of 3,5,3'-Triiodothyronine Sulfate (T3S).

    PubMed

    Santini, Ferruccio; Giannetti, Monica; Ricco, Ilaria; Querci, Giorgia; Saponati, Giorgio; Bokor, Daniela; Rivolta, Giovanni; Bussi, Simona; Braverman, Lewis E; Vitti, Paolo; Pinchera, Aldo

    2014-07-01

    Sulfate conjugation of thyroid hormones is an alternate metabolic pathway that facilitates the biliary and urinary excretion of iodothyronines and enhances their deiodination rate, leading to the generation of inactive metabolites. A desulfating pathway reverses this process, and thyromimetic effects have been observed following the parenteral administration of 3,5,3'-triiodothyronine (T3) sulfate (T3S) in rats. The present study investigated whether T3S is absorbed after oral administration in humans and if it represents a source of T3. Twenty-eight hypothyroid patients (7 men and 21 women; mean age, 44 ± 11 years) who had a thyroidectomy for thyroid carcinoma were enrolled. Replacement thyroid hormone therapy was withdrawn (42 days for thyroxine, 14 days for T3) prior to 131I remnant ablation. A single oral dose of 20, 40, 80 (4 patients/group), or 160 μg (16 patients/group) of T3S was administered 3 days before the planned administration of 131I. Blood samples for serum T3S and total T3 (TT3) concentrations were obtained at various times up to 48 hours after T3S administration. At all T3S doses, serum T3S concentrations increased, reaching a peak at 2 to 4 hours and progressively returning to basal levels within 8 to 24 hours. The T3S maximum concentration (Cmax) and area under the 0- to 48-hour concentration-time curve (AUC0-48h) were directly and significantly related to the administered dose. An increase in serum TT3 concentration was observed (significant after 1 hour), and the concentration increased further at 2 and 4 hours and then remained steady up to 48 hours after T3S administration. There was a significant direct correlation between the TT3 AUC0-48h and the administered dose of T3S. No changes in serum free thyroxine (T4) concentrations during the entire study period were observed, whereas serum thyroid-stimulating hormone levels increased slightly at 48 hours, but this was not related to the dose of T3S. No adverse events were reported. (1) T3S is

  14. Multi-material 3D Models for Temporal Bone Surgical Simulation.

    PubMed

    Rose, Austin S; Kimbell, Julia S; Webster, Caroline E; Harrysson, Ola L A; Formeister, Eric J; Buchman, Craig A

    2015-07-01

    A simulated, multicolor, multi-material temporal bone model can be created using 3-dimensional (3D) printing that will prove both safe and beneficial in training for actual temporal bone surgical cases. As the process of additive manufacturing, or 3D printing, has become more practical and affordable, a number of applications for the technology in the field of Otolaryngology-Head and Neck Surgery have been considered. One area of promise is temporal bone surgical simulation. Three-dimensional representations of human temporal bones were created from temporal bone computed tomography (CT) scans using biomedical image processing software. Multi-material models were then printed and dissected in a temporal bone laboratory by attending and resident otolaryngologists. A 5-point Likert scale was used to grade the models for their anatomical accuracy and suitability as a simulation of cadaveric and operative temporal bone drilling. The models produced for this study demonstrate significant anatomic detail and a likeness to human cadaver specimens for drilling and dissection. Simulated temporal bones created by this process have potential benefit in surgical training, preoperative simulation for challenging otologic cases, and the standardized testing of temporal bone surgical skills. © The Author(s) 2015.

  15. Bitopic Sphingosine 1-Phosphate Receptor 3 (S1P3) Antagonist Rescue from Complete Heart Block: Pharmacological and Genetic Evidence for Direct S1P3 Regulation of Mouse Cardiac Conduction.

    PubMed

    Sanna, M Germana; Vincent, Kevin P; Repetto, Emanuela; Nguyen, Nhan; Brown, Steven J; Abgaryan, Lusine; Riley, Sean W; Leaf, Nora B; Cahalan, Stuart M; Kiosses, William B; Kohno, Yasushi; Brown, Joan Heller; McCulloch, Andrew D; Rosen, Hugh; Gonzalez-Cabrera, Pedro J

    2016-01-01

    The molecular pharmacology of the G protein-coupled receptors for sphingosine 1-phosphate (S1P) provides important insight into established and new therapeutic targets. A new, potent bitopic S1P3 antagonist, SPM-354, with in vivo activity, has been used, together with S1P3-knockin and S1P3-knockout mice to define the spatial and functional properties of S1P3 in regulating cardiac conduction. We show that S1P3 is a key direct regulator of cardiac rhythm both in vivo and in isolated perfused hearts. 2-Amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol in vivo and S1P in isolated hearts induced a spectrum of cardiac effects, ranging from sinus bradycardia to complete heart block, as measured by a surface electrocardiogram in anesthetized mice and in volume-conducted Langendorff preparations. The agonist effects on complete heart block are absent in S1P3-knockout mice and are reversed in wild-type mice with SPM-354, as characterized and described here. Homologous knockin of S1P3-mCherry is fully functional pharmacologically and is strongly expressed by immunohistochemistry confocal microscopy in Hyperpolarization Activated Cyclic Nucleotide Gated Potassium Channel 4 (HCN4)-positive atrioventricular node and His-Purkinje fibers, with relative less expression in the HCN4-positive sinoatrial node. In Langendorff studies, at constant pressure, SPM-354 restored sinus rhythm in S1P-induced complete heart block and fully reversed S1P-mediated bradycardia. S1P3 distribution and function in the mouse ventricular cardiac conduction system suggest a direct mechanism for heart block risk that should be further studied in humans. A richer understanding of receptor and ligand usage in the pacemaker cells of the cardiac system is likely to be useful in understanding ventricular conduction in health, disease, and pharmacology. Copyright © 2015 by The American Society for Pharmacology and Experimental Therapeutics.

  16. IMPLEMENTATION OF THE SMOKE EMISSION DATA PROCESSOR AND SMOKE TOOL INPUT DATA PROCESSOR IN MODELS-3

    EPA Science Inventory

    The U.S. Environmental Protection Agency has implemented Version 1.3 of SMOKE (Sparse Matrix Object Kernel Emission) processor for preparation of area, mobile, point, and biogenic sources emission data within Version 4.1 of the Models-3 air quality modeling framework. The SMOK...

  17. Electron excitation cross sections for the 2s(2)2p(3)4S(O) -- 2s(2)2p(3)2D(O) (forbidden) and 4S(O) -- 2s2p(4) 4P (resonance) transitions in O II

    NASA Technical Reports Server (NTRS)

    Zuo, M.; Smith, Steven J.; Chutjian, A.; Williams, I. D.; Tayal, S. S.; Mclaughlin, Brendan M.

    1995-01-01

    Experimental and theoretical excitation cross sections are reported for the first forbidden transition 4S(O) -- 2S(2)2p(3) 2D(O) (lambda-lambda 3726, 3729) and the first allowed (resonance) transition 4S(O) -- 2s2p(4) 4P(lambda-833) in O II. Use is made of electron energy loss and merged-beams methods. The electron energy range covered is 3.33 (threshold) to 15 eV for the S -- D transition, and 14.9 (threshold) to 40 eV for the S -- P transition. Care was taken to assess and minimize the metastable fraction of the O II beam. An electron mirror was designed and tested to reflect inelastically backscattered electrons into the forward direction to account for the full range of polar scattering angles. Comparisons are made between present experiments and 11-state R-matrix calculations. Calculations are also presented for the 4S(O) -- 2s(2)2p(3)2P(O) (lambda-2470) transition.

  18. Synthesis and Mesomorphic Behavior of Poly((2S, 3S)-(+)-2-Chloro-3- Methylpentyl 4’-(Omega-Vinyloxyalkyloxy)biphenyl-4-Carboxylate)s with Ethyl and Propyl Alkyl Groups

    DTIC Science & Technology

    1994-06-30

    1 . Synthesis of (2S, 3S)-(+)-2-chloro-3-methyl-pentyl 4’-(2-vinyloxyethyloxy) biphenyl-4-carboxylate (15-2...CH2)2-),7.65 (d, 3=8.3Hz, 2 ArH, m to -COO-), 8.11 (d, J=7.4Hz, 2 ArH, o to -COO-). 3-Chloroprop~yl- 1 -vinyl ether (13-3) The mixture of 3- chloropropan ...VA .% fo - " A’* *i f’. - % .oL.,ae- a * 1 nOl-6..io. Ocw. ’•.1ý’ ..a.. :l•t :...•.t ;,,31 -. 1 " 1 . 2 . 10 1 -- Of , • l 0’ i’*J.. e t *no suaqetg

  19. Fusion of spectral models for dynamic modeling of sEMG and skeletal muscle force.

    PubMed

    Potluri, Chandrasekhar; Anugolu, Madhavi; Chiu, Steve; Urfer, Alex; Schoen, Marco P; Naidu, D Subbaram

    2012-01-01

    In this paper, we present a method of combining spectral models using a Kullback Information Criterion (KIC) data fusion algorithm. Surface Electromyographic (sEMG) signals and their corresponding skeletal muscle force signals are acquired from three sensors and pre-processed using a Half-Gaussian filter and a Chebyshev Type- II filter, respectively. Spectral models - Spectral Analysis (SPA), Empirical Transfer Function Estimate (ETFE), Spectral Analysis with Frequency Dependent Resolution (SPFRD) - are extracted from sEMG signals as input and skeletal muscle force as output signal. These signals are then employed in a System Identification (SI) routine to establish the dynamic models relating the input and output. After the individual models are extracted, the models are fused by a probability based KIC fusion algorithm. The results show that the SPFRD spectral models perform better than SPA and ETFE models in modeling the frequency content of the sEMG/skeletal muscle force data.

  20. 3D modeling based on CityEngine

    NASA Astrophysics Data System (ADS)

    Jia, Guangyin; Liao, Kaiju

    2017-03-01

    Currently, there are many 3D modeling softwares, like 3DMAX, AUTOCAD, and more populous BIM softwares represented by REVIT. CityEngine modeling software introduced in this paper can fully utilize the existing GIS data and combine other built models to make 3D modeling on internal and external part of buildings in a rapid and batch manner, so as to improve the 3D modeling efficiency.

  1. Facile synthesis of Sb2S3/MoS2 heterostructure as anode material for sodium-ion batteries.

    PubMed

    Zhang, Zhendong; Zhao, Jiachang; Xu, Meilan; Wang, Hongxia; Gong, Yanmei; Xu, Jingli

    2018-05-18

    A novel Sb2S3/MoS2 heterostructure in which Sb2S3 nanorods are coated with MoS2 nanosheets to form core-shell structure has been fabricated via a facile two-step hydrothermal process. The Sb2S3/MoS2 heterostructure utilized as anode of sodium-ion batteries (SIBs) shows higher capacity, superior rate capability and better cycling performance compared with individual Sb2S3 nanorods and MoS2 nanosheets. Specifically, the Sb2S3/MoS2 electrode shows an initial reversible capacity of 701 mAh g-1 at the current density of 100 mA g-1, which is remained 80.1% of the initial perforance after 100 cycles at the same current density. This outstanding electrochemical performance indicates Sb2S3/MoS2 heterostructure is a very promising anode material for high-performance SIBs. © 2018 IOP Publishing Ltd.

  2. DRUGDOG 3.0: U.S. Navy Random Urinalysis Software Package

    DTIC Science & Technology

    1994-03-15

    NAVAL PO11GRADUATE SCHOOL Monterey, California AD-A281 748 THESIS LJuEoTE DRUGDOG 3.0: U. S . NAVY RANDOM URINALYSIS SOFTWARE PACKAGE by (% Dale E...ONLY (Leave blank) 2. REPORT DATE 3. REPORT TYPE AND DATES COVERED 15 MAR 94 Master’s Thesis 4. TITLE AND SUBTITLE DRUGDOG 3.0: U. S . NAVY RANDOM 5...FUNDING NUMBERS URINALYSIS SOFTWARE PACKAGE 6. AUTHOR( S ) Dale E. Wilson 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES) 8. PERFORMING Naval

  3. Ontology method for 3DGIS modeling

    NASA Astrophysics Data System (ADS)

    Sun, Min; Chen, Jun

    2006-10-01

    Data modeling is a baffling problem in 3DGIS, no satisfied solution has been provided until today, reason come from various sides. In this paper, a new solution named "Ontology method" is proposed. GIS traditional modeling method mainly focus on geometrical modeling, i.e., try to abstract geometry primitives for objects representation, this kind modeling method show it's awkward in 3DGIS modeling process. Ontology method begins modeling from establishing a set of ontology with different levels. The essential difference of this method is to swap the position of 'spatial data' and 'attribute data' in 2DGIS modeling process for 3DGIS modeling. Ontology method has great advantages in many sides, a system based on ontology is easy to realize interoperation for communication and data mining for knowledge deduction, in addition has many other advantages.

  4. Effects of (S)-3,4-DCPG, an mGlu8 receptor agonist, on inflammatory and neuropathic pain in mice.

    PubMed

    Marabese, I; de Novellis, V; Palazzo, E; Scafuro, M A; Vita, D; Rossi, F; Maione, S

    2007-02-01

    In this study, the effect of (S)-3,4-dicarboxyphenylglycine (DCPG), a selective mGlu8 receptor agonist, has been investigated in inflammatory and neuropathic pain models in order to elucidate the role of mGlu8 receptor in modulating pain perception. Inflammatory pain was induced by the peripheral injection of formalin or carrageenan in awake mice. Systemic administration of (S)-3,4-DCPG, performed 15 min before formalin, decreased both early and delayed nociceptive responses of the formalin test. When this treatment was carried out 15 min after the peripheral injection of formalin it still reduced the late hyperalgesic phase. Similarly, systemic (S)-3,4-DCPG reduced carrageenan-induced thermal hyperalgesia and mechanical allodynia when administered 15 min before carrageenan, but no effect on pain behaviour was observed when (S)-3,4-DCPG was given after the development of carrageenan-induced inflammatory pain. When microinjected into the lateral PAG (RS)-alpha-methylserine-O-phoshate (MSOP), a group III receptor antagonist, antagonised the analgesic effect induced by systemic administration of (S)-3,4-DCPG in both of the inflammatory pain models. Intra-lateral PAG (S)-3,4-DCPG reduced pain behaviour when administered 10 min before formalin or carrageenan; both the effects were blocked by intra-lateral PAG MSOP. (S)-3,4-DCPG was ineffective in alleviating thermal hyperalgesia and mechanical allodynia 7 days after the chronic constriction injury of the sciatic nerve, whereas it proved effective 3 days after surgery. Taken together these results suggest that stimulation of mGlu8 receptors relieve formalin and carrageenan-induced hyperalgesia in inflammatory pain, whereas it would seem less effective in established inflammatory or neuropathic pain.

  5. Degradability in vitro of polyurethanes based on synthetic atactic poly[(R,S)-3-hydroxybutyrate].

    PubMed

    Brzeska, J; Janeczek, H; Janik, H; Kowalczuk, M; Rutkowska, M

    2015-01-01

    The aim of the present study was to determine the degradability of aliphatic polyurethanes, based on a different amount of synthetic, atactic poly[(R,S)-3-hydroxybutyrate] (a-PHB), in hydrolytic (phosphate buffer) and oxidative (H2O2/CoCl2) solutions. The soft segments were built with atactic poly[(R,S)-3-hydroxybutyrate] and polycaprolactone or polyoxytetramethylenediols, whereas hard segments were the reaction product of 4,4'-methylenedicyclohexyl diisocyanate and 1,4-butanediol.The selected properties - density and morphology of polymer surfaces - which could influence the sensitivity of polymers to degradation processes - were analyzed.The analysis of molecular mass (GPC), thermal properties (DSC) and the sample weight changes were undertaken to estimate the degree of degradability of polymer samples after incubation in environments studied.Investigated polyurethanes were amorphous with the very low amount of crystalline phases of hard segments.The polyurethane synthesized with a poly[(R,S)-3-hydroxybutyrate] and polyoxytetramethylenediol at a molar ratio of NCO:OH=3.7:1 (prepolymer step) appeared as the most sensitive for both degradative solutions. Its weight and molecular mass losses were the highest in comparison to other investigated polyurethanes.It could be expected that playing with the amount of poly[(R,S)-3-hydroxybutyrate] in polyurethane synthesis the rate of polyurethane degradation after immersion in living body would be modeled.

  6. Multi-model assessment of air pollution-related premature mortality in Europe and U.S.: Domestic vs. foreign contributions

    EPA Science Inventory

    The impact of air pollution on premature mortality in Europe and the United States (U.S.) for the year 2010 is modelled by a multi-model ensemble of regional models in the framework of the AQMEII3 project. The gridded surface concentrations of O3, CO, SO2 and PM2.5 from each mode...

  7. The prognostic value of sST2 and galectin-3 considering different aetiologies in non-ischaemic heart failure.

    PubMed

    Binas, David; Daniel, Hanna; Richter, Anette; Ruppert, Volker; Schlüter, Klaus-Dieter; Schieffer, Bernhard; Pankuweit, Sabine

    2018-01-01

    Several studies indicate a prognostic value of sST2 and galectin-3 in heart failure (HF). While previous studies focused on ischaemic cause of HF, we investigated the role of sST2 and galectin-3 in patients with non-ischaemic dilated cardiomyopathy (DCM). sST2 and galectin-3 serum concentrations were measured in 262 subjects with DCM. Survival rates were determined for all-cause mortality (ACM) and cardiac mortality (CM). In a univariate model, sST2 as a continuous variable was a predictor of ACM (HR 1.05; 95% CI 1.03 to 1.07, P<0.001) and CM (HR 1.03; 95% CI 1.00 to 1.06, P=0.040). In the subgroup of patients with inflammatory and/or viral DCM (DCMi⋎viral), the endpoints ACM (HR 1.10; 95% CI 1.05 to 1.17, P<0.001) and CM (HR 1.10; 95% CI 1.02 to 1.18, P=0.013) were significant. In the subgroup of patients with idiopathic DCM, the endpoint ACM (HR 1.04; 95% CI 1.01 to 1.07, P=0.019) was significant. In a multivariate model, the prognostic value of the sST2 main group remained intact for ACM (HR 1.04; 95% CI 1.02 to 1.07, P=0.003).Univariate and multivariate analysis of galectin-3 as continuous variable did not show any significant result. However, in a quartile model, intermediate values of galectin-3 were significantly associated with a lower event rate of ACM and CM. The study revealed that sST2 predicts ACM and CM in patients with non-ischaemic HF and could be useful especially in patients with inflammatory background. Our findings that intermediate levels of galectin-3 allow for better prognosis were new and different to other investigations. NCT03090425; Results.

  8. Nonlinear optical response and its theoretical modelling of Sb2S3 nanorod

    NASA Astrophysics Data System (ADS)

    Yadav, Rajesh Kumar; Barik, A. R.; Das, Amlan; Adarsh, K. V.

    2018-05-01

    Light-matter interaction in nanoscale regime have unprecedented and accelerating demand in optoelectronics, valley electronics and device applications. Such interaction in 1-dimention (1D) metal chalcogenides has emerged as an important research topic because of its possibility to custom design optical properties, implying enormous application including optical computers, communications, bioimaging, and so on. However, understanding of nonlinear optical response of these nanostructures is still lacking, although it constitutes an interesting problem on the light-matter interaction. Here, we have presented the nonlinear optical response in Sb2S3 nanorod using Z-scan technique. Our experimental findings show a strong saturable absorption (SA). In this context, we have numerically simulated the experimental result using two level rate equation. The solutions of these two-level rate equation for a Gaussian shaped pulse exactly replicated the experimental data. From the best numerical fit, we found excited state decay time (τ ≈ 0.15ns) and saturation intensity (IS ≈ 0.01 GW/cm2). Additionally, we have calculated number of career density (N ≈ 5.31 × 10-17 cm-3), ground state absorption cross section (σ1 ≈ 1.63 × 10-17 cm2). Our experimental finding indicates that they can be employed as saturable absorbers.

  9. Phase equilibria in the quasiternary system Ag2S-Ga2S3-In2S3 and optical properties of (Ga55In45)2S300, (Ga54.59In44.66Er0.75)2S300 single crystals

    NASA Astrophysics Data System (ADS)

    Ivashchenko, I. A.; Danyliuk, I. V.; Olekseyuk, I. D.; Pankevych, V. Z.; Halyan, V. V.

    2015-07-01

    The quasiternary system Ag2S-Ga2S3-In2S3 was investigated by differential thermal, X-ray diffraction analyses. The phase diagram of the Ga2S3-In2S3 system and nine polythermal sections, isothermal section at 820 K and the liquidus surface projection were constructed. The existence of the large solid solutions ranges of binary and ternary compounds was established. The range of the existence of the quaternary phase AgGaxIn5-xS8 (2.25≤x≤2.85) at 820 K was determined. The single crystals (Ga55In45)2S300 and (Ga54.59In44.66Er0.75)2S300 were grown by a directional crystallization method from solution-melt. Optical absorption spectra in the 500-1600 nm range were recorded. The luminescence of the (Ga54.59In44.66Er0.75)2S300 single crystal shows a maximum at 1530 nm for the excitation wavelengths of 532 and 980 nm at 80 and 300 K.

  10. Development of a 3D bone marrow adipose tissue model.

    PubMed

    Fairfield, Heather; Falank, Carolyne; Farrell, Mariah; Vary, Calvin; Boucher, Joshua M; Driscoll, Heather; Liaw, Lucy; Rosen, Clifford J; Reagan, Michaela R

    2018-01-26

    Over the past twenty years, evidence has accumulated that biochemically and spatially defined networks of extracellular matrix, cellular components, and interactions dictate cellular differentiation, proliferation, and function in a variety of tissue and diseases. Modeling in vivo systems in vitro has been undeniably necessary, but when simplified 2D conditions rather than 3D in vitro models are used, the reliability and usefulness of the data derived from these models decreases. Thus, there is a pressing need to develop and validate reliable in vitro models to reproduce specific tissue-like structures and mimic functions and responses of cells in a more realistic manner for both drug screening/disease modeling and tissue regeneration applications. In adipose biology and cancer research, these models serve as physiologically relevant 3D platforms to bridge the divide between 2D cultures and in vivo models, bringing about more reliable and translationally useful data to accelerate benchtop to bedside research. Currently, no model has been developed for bone marrow adipose tissue (BMAT), a novel adipose depot that has previously been overlooked as "filler tissue" but has more recently been recognized as endocrine-signaling and systemically relevant. Herein we describe the development of the first 3D, BMAT model derived from either human or mouse bone marrow (BM) mesenchymal stromal cells (MSCs). We found that BMAT models can be stably cultured for at least 3 months in vitro, and that myeloma cells (5TGM1, OPM2 and MM1S cells) can be cultured on these for at least 2 weeks. Upon tumor cell co-culture, delipidation occurred in BMAT adipocytes, suggesting a bidirectional relationship between these two important cell types in the malignant BM niche. Overall, our studies suggest that 3D BMAT represents a "healthier," more realistic tissue model that may be useful for elucidating the effects of MAT on tumor cells, and tumor cells on MAT, to identify novel therapeutic

  11. Modeling variably saturated subsurface solute transport with MODFLOW-UZF and MT3DMS.

    PubMed

    Morway, Eric D; Niswonger, Richard G; Langevin, Christian D; Bailey, Ryan T; Healy, Richard W

    2013-03-01

    The MT3DMS groundwater solute transport model was modified to simulate solute transport in the unsaturated zone by incorporating the unsaturated-zone flow (UZF1) package developed for MODFLOW. The modified MT3DMS code uses a volume-averaged approach in which Lagrangian-based UZF1 fluid fluxes and storage changes are mapped onto a fixed grid. Referred to as UZF-MT3DMS, the linked model was tested against published benchmarks solved analytically as well as against other published codes, most frequently the U.S. Geological Survey's Variably-Saturated Two-Dimensional Flow and Transport Model. Results from a suite of test cases demonstrate that the modified code accurately simulates solute advection, dispersion, and reaction in the unsaturated zone. Two- and three-dimensional simulations also were investigated to ensure unsaturated-saturated zone interaction was simulated correctly. Because the UZF1 solution is analytical, large-scale flow and transport investigations can be performed free from the computational and data burdens required by numerical solutions to Richards' equation. Results demonstrate that significant simulation runtime savings can be achieved with UZF-MT3DMS, an important development when hundreds or thousands of model runs are required during parameter estimation and uncertainty analysis. Three-dimensional variably saturated flow and transport simulations revealed UZF-MT3DMS to have runtimes that are less than one tenth of the time required by models that rely on Richards' equation. Given its accuracy and efficiency, and the wide-spread use of both MODFLOW and MT3DMS, the added capability of unsaturated-zone transport in this familiar modeling framework stands to benefit a broad user-ship. Published 2012. This article is a U.S. Government work and is in the public domain in the USA.

  12. Measurement of the 1s2s ^1S0 - 1s2p ^3P1 interval in helium-like silicon.

    NASA Astrophysics Data System (ADS)

    Redshaw, M.; Harry, R.; Myers, E. G.; Weatherford, C. A.

    2001-05-01

    Accurate calculation of the energy levels of helium-like ions is a basic problem in relativistic atomic theory. For the n=3D2 levels at moderate Z, published calculations give all ``structure'' but not all explicit QED contributions to order (Zα)^4 a.u.(D.R. Plante, W.R. Johnson and J. Sapirstein, Phys. Rev. A 49), 3519 (1994).^, (K.T. Cheng, M.H. Chen, W.R. Johnson and J. Sapirstein, Phys. Rev. A 50), 247 (1994).. Measurements of the 1s2p ^3P - 1s2s ^3S transitions, which lie in the vacuum ultra-violet, are barely precise enough to challenge the theory. However, the intercombination 1s2s ^1S0 - 1s2p ^3P1 interval lies in the infra-red for Z<40 and enables precision measurements using laser spectroscopy(E.G. Myers, J.K. Thompson, E.P. Gavathas, N.R. Claussen, J.D. Silver and D.J.H. Howie, Phys. Rev. Lett. 75), 3637 (1995).. We aim to measure this interval in Si^12+ using a foil-stripped 1 MeV/u ion beam from the Florida State Van de Graaff accelerator and a single-mode c.w. Nd:YAG laser at 1.319 μm. To obtain a sufficient transition probability, the Si^12+ beam is merged co-linearly with the laser light inside an ultra-high finesse build-up cavity. The results should provide a clear test of current and developing calculations of QED contributions in two-electron ions.

  13. Hyperfine quenching of the 2s2 2p5 3 s3P2 state of Ne-like ions

    NASA Astrophysics Data System (ADS)

    Safronova, U. I.; Stafford, A.; Safronova, A. S.

    2017-04-01

    The many-body perturbation theory (RMBPT) is used to calculate energies and multipole matrix elements to evaluate hyperfine quenching of the 2s2 2p5 3 s 3P2 state in Ne-like ions. In particular, the 3P2 excited state decays to the 1S0 ground state by M2 emission, while both 1P1 and 3P1 states decay to the ground-state by E1 emission, which is substantially faster. For odd-A nuclei, the hyperfine interaction induces admixtures of 3P1 and 1P1 states into the 3P2 state, resulting in an increase of the 3P2 transition rate and a corresponding reduction of the 3P2 lifetime. We consider 22 Ne like ions with Z = 14 - 94 and nuclear moment I =1/2. We found that the largess hyperfine quenching contribution by a factor of 2 are for Ne-like 31P and 203Tl. The smallest (less than 1%) induced contribution are the following Ne-like ions: 57Fe, 107Ag, 109Ag, 183W, and 187Os ions. For another 15 Ne-like ions the hyperfine quenching contribution is between 15% and 35%. Applications to x-ray line polarization of Ne-like lines is considered. This work is supported by the Department of Energy, National Nuclear Security Administration, under Award Number DE-NA0002954.

  14. Junction formation of Cu3BiS3 investigated by Kelvin probe force microscopy and surface photovoltage measurements

    PubMed Central

    Mesa, Fredy; Chamorro, William; Vallejo, William; Baier, Robert; Dittrich, Thomas; Grimm, Alexander; Lux-Steiner, Martha C

    2012-01-01

    Summary Recently, the compound semiconductor Cu3BiS3 has been demonstrated to have a band gap of ~1.4 eV, well suited for photovoltaic energy harvesting. The preparation of polycrystalline thin films was successfully realized and now the junction formation to the n-type window needs to be developed. We present an investigation of the Cu3BiS3 absorber layer and the junction formation with CdS, ZnS and In2S3 buffer layers. Kelvin probe force microscopy shows the granular structure of the buffer layers with small grains of 20–100 nm, and a considerably smaller work-function distribution for In2S3 compared to that of CdS and ZnS. For In2S3 and CdS buffer layers the KPFM experiments indicate negatively charged Cu3BiS3 grain boundaries resulting from the deposition of the buffer layer. Macroscopic measurements of the surface photovoltage at variable excitation wavelength indicate the influence of defect states below the band gap on charge separation and a surface-defect passivation by the In2S3 buffer layer. Our findings indicate that Cu3BiS3 may become an interesting absorber material for thin-film solar cells; however, for photovoltaic application the band bending at the charge-selective contact has to be increased. PMID:22497001

  15. Junction formation of Cu(3)BiS(3) investigated by Kelvin probe force microscopy and surface photovoltage measurements.

    PubMed

    Mesa, Fredy; Chamorro, William; Vallejo, William; Baier, Robert; Dittrich, Thomas; Grimm, Alexander; Lux-Steiner, Martha C; Sadewasser, Sascha

    2012-01-01

    Recently, the compound semiconductor Cu(3)BiS(3) has been demonstrated to have a band gap of ~1.4 eV, well suited for photovoltaic energy harvesting. The preparation of polycrystalline thin films was successfully realized and now the junction formation to the n-type window needs to be developed. We present an investigation of the Cu(3)BiS(3) absorber layer and the junction formation with CdS, ZnS and In(2)S(3) buffer layers. Kelvin probe force microscopy shows the granular structure of the buffer layers with small grains of 20-100 nm, and a considerably smaller work-function distribution for In(2)S(3) compared to that of CdS and ZnS. For In(2)S(3) and CdS buffer layers the KPFM experiments indicate negatively charged Cu(3)BiS(3) grain boundaries resulting from the deposition of the buffer layer. Macroscopic measurements of the surface photovoltage at variable excitation wavelength indicate the influence of defect states below the band gap on charge separation and a surface-defect passivation by the In(2)S(3) buffer layer. Our findings indicate that Cu(3)BiS(3) may become an interesting absorber material for thin-film solar cells; however, for photovoltaic application the band bending at the charge-selective contact has to be increased.

  16. Vel-IO 3D: A tool for 3D velocity model construction, optimization and time-depth conversion in 3D geological modeling workflow

    NASA Astrophysics Data System (ADS)

    Maesano, Francesco E.; D'Ambrogi, Chiara

    2017-02-01

    We present Vel-IO 3D, a tool for 3D velocity model creation and time-depth conversion, as part of a workflow for 3D model building. The workflow addresses the management of large subsurface dataset, mainly seismic lines and well logs, and the construction of a 3D velocity model able to describe the variation of the velocity parameters related to strong facies and thickness variability and to high structural complexity. Although it is applicable in many geological contexts (e.g. foreland basins, large intermountain basins), it is particularly suitable in wide flat regions, where subsurface structures have no surface expression. The Vel-IO 3D tool is composed by three scripts, written in Python 2.7.11, that automate i) the 3D instantaneous velocity model building, ii) the velocity model optimization, iii) the time-depth conversion. They determine a 3D geological model that is consistent with the primary geological constraints (e.g. depth of the markers on wells). The proposed workflow and the Vel-IO 3D tool have been tested, during the EU funded Project GeoMol, by the construction of the 3D geological model of a flat region, 5700 km2 in area, located in the central part of the Po Plain. The final 3D model showed the efficiency of the workflow and Vel-IO 3D tool in the management of large amount of data both in time and depth domain. A 4 layer-cake velocity model has been applied to a several thousand (5000-13,000 m) thick succession, with 15 horizons from Triassic up to Pleistocene, complicated by a Mesozoic extensional tectonics and by buried thrusts related to Southern Alps and Northern Apennines.

  17. DNA gel electrophoresis: the reptation model(s).

    PubMed

    Slater, Gary W

    2009-06-01

    DNA gel electrophoresis has been the most important experimental tool to separate DNA fragments for several decades. The introduction of PFGE in the 1980s and capillary gel electrophoresis in the 1990s made it possible to study, map and sequence entire genomes. Explaining how very large DNA molecules move in a gel and why PFGE is needed to separate them has been an active field of research ever since the launch of the journal Electrophoresis. This article presents a personal and historical overview of the development of the theory of gel electrophoresis, focusing on the reptation model, the band broadening mechanisms, and finally the factors that limit the read length and the resolution of electrophoresis-based sequencing systems. I conclude with a short discussion of some of the questions that remain unanswered.

  18. Efficient syntheses of polyamine and polyamine amide voltage-sensitive calcium channel blockers: FTX-3.3 and sFTX-3.3.

    PubMed

    Moya, E; Blagbrough, I S

    1996-02-01

    Efficient syntheses of FTX-3.3 and sFTX-3.3, voltage-sensitive calcium channel blockers are described. These modified polyamines were prepared from selectively protected polyamines and purified on a practical scale.

  19. Resonant photoemission study of pyrite-type NiS2, CoS2 and FeS2

    NASA Astrophysics Data System (ADS)

    Fujimori, A.; Mamiya, K.; Mizokawa, T.; Miyadai, T.; Sekiguchi, T.; Takahashi, H.; Môri, N.; Suga, S.

    1996-12-01

    The electronic structure of pyrite-type NiS2, CoS2, and FeS2 has been studied by photoemission spectroscopy. From resonant photoemission studies and configuration-interaction cluster-model analysis of the spectra, NiS2 is found to be a charge-transfer-type insulator, the band gap of which is formed between the occupied S 3p and the empty Ni 3d states. Cluster-model calculations indicate that the short Fe-S distance favors the low-spin (S=0) ground state in FeS2 compared to the high-spin FeS. Resonant photoemission results indicate a sign of electron correlation in the nonmagnetic semiconductor FeS2.

  20. Research Summary 3-D Computational Fluid Dynamics (CFD) Model Of The Human Respiratory System

    EPA Science Inventory

    The U.S. EPA’s Office of Research and Development (ORD) has developed a 3-D computational fluid dynamics (CFD) model of the human respiratory system that allows for the simulation of particulate based contaminant deposition and clearance, while being adaptable for age, ethnicity,...

  1. U.S. Eastern Continental Shelf Carbon Cycling (USECoS): Modeling, Data Assimilation, and Analysis

    NASA Technical Reports Server (NTRS)

    Mannino, Antonio

    2008-01-01

    Although the oceans play a major role in the uptake of fossil fuel CO2 from the atmosphere, there is much debate about the contribution from continental shelves, since many key shelf fluxes are not yet well quantified: the exchange of carbon across the land-ocean and shelf-slope interfaces, air-sea exchange of CO2, burial, and biological processes including productivity. Our goal is to quantify these carbon fluxes along the eastern U.S. coast using models quantitatively verified by comparison to observations, and to establish a framework for predicting how these fluxes may be modified as a result of climate and land use change. Our research questions build on those addressed with previous NASA funding for the USECoS (U.S. Eastern Continental Shelf Carbon Cycling) project. We have developed a coupled biogeochemical ocean circulation model configured for this study region and have extensively evaluated this model with both in situ and remotely-sensed data. Results indicate that to further reduce uncertainties in the shelf component of the global carbon cycle, future efforts must be directed towards 1) increasing the resolution of the physical model via nesting and 2) making refinements to the biogeochemical model and quantitatively evaluating these via the assimilation of biogeochemical data (in situ and remotely-sensed). These model improvements are essential for better understanding and reducing estimates of uncertainties in current and future carbon transformations and cycling in continental shelf systems. Our approach and science questions are particularly germane to the carbon cycle science goals of the NASA Earth Science Research Program as well as the U.S. Climate Change Research Program and the North American Carbon Program. Our interdisciplinary research team consists of scientists who have expertise in the physics and biogeochemistry of the U.S. eastern continental shelf, remote-sensing data analysis and data assimilative numerical models.

  2. Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid

    PubMed Central

    Lee, Hyunbeom; Le, Hoang V.; Wu, Rui; Doud, Emma; Sanishvili, Ruslan; Kellie, John F.; Compton, Phillip D.; Pachaiyappan, Boobalan; Liu, Dali; Kelleher, Neil L.

    2015-01-01

    When γ-aminobutyric acid (GABA), the major inhibitory neurotransmitter in the mammalian central nervous system, falls below a threshold level, seizures occur. One approach to raise GABA concentrations is to inhibit GABA aminotransferase (GABA-AT), a pyridoxal 5’-phosphate-dependent enzyme that degrades GABA. We have previously developed (1S,3S)-3-amino-4-difluoromethylene-1-cyclopentanoic acid (CPP-115), which is 186 times more efficient in inactivating GABA-AT than vigabatrin, the only FDA-approved inactivator of GABA-AT. We also developed (E)- and (Z)-(1S,3S)-3-amino-4-fluoromethylenyl-1-cyclopentanoic acid (1 and 2, respectively), monofluorinated analogs of CPP-115, which are comparable to vigabatrin in inactivating GABA-AT. Here we report the mechanism of inactivation of GABA-AT by 1 and 2. Both produce a metabolite that induces disruption of the Glu270-Arg445 salt bridge to accommodate interaction between the metabolite formyl group and Arg445. This is the second time that Arg445 has interacted with a ligand and is involved in GABA-AT inactivation, thereby confirming the importance of Arg445 in future inactivator design. PMID:26110556

  3. Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.

    PubMed

    Lee, Hyunbeom; Le, Hoang V; Wu, Rui; Doud, Emma; Sanishvili, Ruslan; Kellie, John F; Compton, Phillip D; Pachaiyappan, Boobalan; Liu, Dali; Kelleher, Neil L; Silverman, Richard B

    2015-09-18

    When γ-aminobutyric acid (GABA), the major inhibitory neurotransmitter in the mammalian central nervous system, falls below a threshold level, seizures occur. One approach to raise GABA concentrations is to inhibit GABA aminotransferase (GABA-AT), a pyridoxal 5'-phosphate-dependent enzyme that degrades GABA. We have previously developed (1S,3S)-3-amino-4-difluoromethylene-1-cyclopentanoic acid (CPP-115), which is 186 times more efficient in inactivating GABA-AT than vigabatrin, the only FDA-approved inactivator of GABA-AT. We also developed (E)- and (Z)-(1S,3S)-3-amino-4-fluoromethylenyl-1-cyclopentanoic acid (1 and 2, respectively), monofluorinated analogs of CPP-115, which are comparable to vigabatrin in inactivating GABA-AT. Here, we report the mechanism of inactivation of GABA-AT by 1 and 2. Both produce a metabolite that induces disruption of the Glu270-Arg445 salt bridge to accommodate interaction between the metabolite formyl group and Arg445. This is the second time that Arg445 has interacted with a ligand and is involved in GABA-AT inactivation, thereby confirming the importance of Arg445 in future inactivator design.

  4. Electrical and optical characterization of green synthesized Gd2S3

    NASA Astrophysics Data System (ADS)

    Paul, Somnath; Sarkar, A.

    2016-05-01

    Gadolinium sulphide (Gd2S3) is a magnetic semiconductor with large band gap. Gd2S3 was synthesized following chemical and green techniques. Later process provides good stability of the nano clusters (NC) due to in-situ capping of Gd2S3 NC. It has been found that the optical band gap in Gd2S3 developed by green synthesis is lowered considerably over that in chemically synthesized Gd2S3. The green agencies used in this work are Jatropha Latex and dilute Garlic extract; both are enriched in sulphur and other organic polymer molecules. Simple observation shows that Gd2S3 NC retains residual magnetization. In this work optical and electrical characterization of the developed Gd2S3 specimens are carried out. The overall results obtained are good.

  5. EPA’s Stormwater Management Model (SWMM)

    EPA Pesticide Factsheets

    EPA’s Storm Water Management Model (SWMM) is used throughout the world for planning, analysis, and designrelated to stormwater runoff, combined and sanitary sewers, and other drainage systems in urban areas.

  6. Principal component analysis in construction of 3D human knee joint models using a statistical shape model method.

    PubMed

    Tsai, Tsung-Yuan; Li, Jing-Sheng; Wang, Shaobai; Li, Pingyue; Kwon, Young-Min; Li, Guoan

    2015-01-01

    The statistical shape model (SSM) method that uses 2D images of the knee joint to predict the three-dimensional (3D) joint surface model has been reported in the literature. In this study, we constructed a SSM database using 152 human computed tomography (CT) knee joint models, including the femur, tibia and patella and analysed the characteristics of each principal component of the SSM. The surface models of two in vivo knees were predicted using the SSM and their 2D bi-plane fluoroscopic images. The predicted models were compared to their CT joint models. The differences between the predicted 3D knee joint surfaces and the CT image-based surfaces were 0.30 ± 0.81 mm, 0.34 ± 0.79 mm and 0.36 ± 0.59 mm for the femur, tibia and patella, respectively (average ± standard deviation). The computational time for each bone of the knee joint was within 30 s using a personal computer. The analysis of this study indicated that the SSM method could be a useful tool to construct 3D surface models of the knee with sub-millimeter accuracy in real time. Thus, it may have a broad application in computer-assisted knee surgeries that require 3D surface models of the knee.

  7. Computational modeling of the structure and the ionic conductivity of the solid electrolyte materials Li3AsS4 and its Ge substitutions

    NASA Astrophysics Data System (ADS)

    Al-Qawasmeh, Ahmad; Holzwarth, N. A. W.

    Oak Ridge National Laboratory (G. Sahu et al.) reported that the substitution of Ge into Li3AsS4 leads to the composition Li3.334Ge0.334As0.666S4 with impressively high ionic conductivity . We use ab initio calculations to examine the structural relationships and the ionic conductivity mechanisms for pure Li3AsS4, Li3.334Ge0.334As0.666S4, and other compositions of these electrolytes. Supported by NSF Grant DMR-1105485 and 1507942 and WFU's DEAC cluster.

  8. The nature of intermediate-range order in Ge-As-S glasses : results from reverse Monte Carlo modeling.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Soyer-Uzun, S.; Benmore, C. J.; Siewenie, J. E.

    2010-01-01

    The experimental neutron and x-ray diffraction data for stoichiometric and S-deficient Ge{sub x}As{sub x}S{sub 100-2x} glasses with x = 18.2, 25.0, and 33.3 at.% have been modeled simultaneously using the reverse Monte Carlo (RMC) technique. Nearest-neighbor coordination environments, as obtained in previous x-ray absorption spectroscopy and diffraction experiments, have been employed as short-range order constraints in these simulations. The large scale three-dimensional structural models thus obtained from RMC simulation are used to investigate the nature and compositional evolution of intermediate-range structural order in these ternary glasses. The intermediate-range structural order is controlled by (1) a corner-shared three-dimensional network of AsS{submore » 3} pyramids and GeS{sub 4} tetrahedra in the stoichiometric Ge{sub 18.2}As{sub 18.2}S{sub 63.6} glass, (2) a heterogeneous structure that consists of homopolar bonded As-rich regions coexisting with a GeS{sub 2} network in the S-deficient Ge{sub 25}As{sub 25}S{sub 50} glass, and (3) a homogeneous structure resulting from the disruption of the topological continuity of the GeS{sub 2} network and As-rich clusters regions due to the formation of Ge-As bonds in the most S-deficient Ge{sub 33.3}As{sub 33.3}S{sub 33.3} glass. This scenario of the compositional evolution of intermediate-range structural order is consistent with and provides an atomistic explanation of the corresponding evolution in the position, width and intensity of the first sharp diffraction peak and the magnitude of small angle scattering in these glasses.« less

  9. [3D printing in neurosurgery: a specific model for patients with craniosynostosis].

    PubMed

    Jiménez Ormabera, Borja; Díez Valle, Ricardo; Zaratiegui Fernández, Javier; Llorente Ortega, Marcos; Unamuno Iñurritegui, Xabier; Tejada Solís, Sonia

    Craniosynostosis is a rare condition and requires a personalised surgical approach, which is why we consider the use of 3D printed models beneficial in the surgical planning of this procedure. Acrylonitrile butadiene styrene plastic skull models were designed and printed from CT images of patients between 3 and 6 months of age with craniosynostosis of different sutures. The models were used to simulate surgical procedures. Four models of four patients with craniosynostosis were produced: two with closure of the metopic suture and two with sagittal suture closure. The mean age of the patients was 5 months (3-6m) and the mean duration of the surgery was 286min (127-380min). The acrylonitrile butadiene styrene plastic models printed for the project proved to be optimal for the simulation of craniosynostosis surgeries, both anatomically and in terms of mechanical properties and reaction to surgical instruments. 3D printers have a wide range of medical applications and they offer an easy and affordable way to produce skull models. The acrylonitrile butadiene styrene material is suitable for the production of operable bone models as it faithfully reproduces the mechanical characteristics of bone tissue. Copyright © 2017 Sociedad Española de Neurocirugía. Publicado por Elsevier España, S.L.U. All rights reserved.

  10. Synthesis, Crystal Structure, and Physical Properties of New Layered Oxychalcogenide La2O2Bi3AgS6

    NASA Astrophysics Data System (ADS)

    Hijikata, Yudai; Abe, Tomohiro; Moriyoshi, Chikako; Kuroiwa, Yoshihiro; Goto, Yosuke; Miura, Akira; Tadanaga, Kiyoharu; Wang, Yongming; Miura, Osuke; Mizuguchi, Yoshikazu

    2017-12-01

    We have synthesized a new layered oxychalcogenide La2O2Bi3AgS6. From synchrotron X-ray diffraction and Rietveld refinement, the crystal structure of La2O2Bi3AgS6 was refined using a model of the P4/nmm space group with a = 4.0644(1) Å and c = 19.412(1) Å, which is similar to the related compound LaOBiPbS3, while the interlayer bonds (M2-S1 bonds) are apparently shorter in La2O2Bi3AgS6. The tunneling electron microscopy (TEM) image confirmed the lattice constant derived from Rietveld refinement (c ˜ 20 Å). The electrical resistivity and Seebeck coefficient suggested that the electronic states of La2O2Bi3AgS6 are more metallic than those of LaOBiS2 and LaOBiPbS3. The insertion of a rock-salt-type chalcogenide into the van der Waals gap of BiS2-based layered compounds, such as LaOBiS2, will be a useful strategy for designing new layered functional materials in the layered chalcogenide family.

  11. West Virginia Safe and Supportive (S3) Schools Project: Year 2 Implementation Evaluation Report

    ERIC Educational Resources Information Center

    Whisman, Andy

    2013-01-01

    The 4-year federal Safe and Supportive Schools (S3) program supports targeted interventions to improve and measure conditions for learning at the high school level. For 2011-2012 (Year 2), two evaluation questions were investigated: (EQ1) To what extent do participating schools implement the program with fidelity relative to the WV Model for…

  12. Implications of the S-Web Model for Impulsive SEPs

    NASA Astrophysics Data System (ADS)

    Antiochos, Spiro K.; Higginson, Aleida K.; DeVore, C. Richard

    2017-08-01

    One of the most important discoveries of the STEREO mission is that impulsive Solar Energetic Particle (SEP) events frequently exhibit large longitudinal spread in the heliosphere, up to 100 degrees or more. This result is especially puzzling given the long-standing observations that impulsive SEPs originate in highly localized regions in the corona, angular extent less than one degree, and that the SEPs frequently show so-called drop-outs, effectively ruling out diffusion as a mechanism for the observed spread. We discuss the implications of the S-Web slow solar wind model for the propagation of SEPs and their distribution in the heliosphere. We present results from 3D MHD simulations demonstrating that for commonly-observed coronal magnetic topologies, the connectivity of the corona to heliosphere will be quasi-singular, with small regions near the Sun dynamically connecting to giant arcs in the heliosphere that span tens of degrees in both latitude and longitude. We show that the S-Web model can account for both SEP longitudinal spread and dropouts, and discuss implications for observations from the upcoming Solar Orbiter and Solar Probe Plus missions.This research was supported, in part, by the NASA LWS Program.

  13. (Carbonyl-1κC)bis-[2,3(η)-cyclo-penta-dien-yl][μ(3)-(S-methyl trithio-carbonato)methylidyne-1:2:3κC,S'':C:C](triphenyl-phosphine-1κP)(μ(3)-sulfido-1:2:3κS)dicobalt(II)iron(II) trifluoro-methane-sulfonate.

    PubMed

    Manning, Anthony R; McAdam, C John; Palmer, Anthony J; Simpson, Jim

    2008-04-10

    The asymmetric unit of the title compound, [FeCo(2)(C(5)H(5))(2)(C(3)H(3)S(3))S(C(18)H(15)P)(CO)]CF(3)SO(3), consists of a triangular irondicobalt cluster cation and a trifluoro-methane-sulfonate anion. In the cation, the FeCo(2) triangle is symmetrically capped on one face by an S atom and on the other by a C atom linked to a methyl trithio-carbonate residue that bridges the Fe-C bond. Each Co atom carries a cyclo-penta-dienyl ligand while the Fe atom coordinates to one carbonyl and one triphenyl-phosphine ligand. In the crystal structure, the cation is linked to the anion by a number of weak non-classical C-H⋯O and C-H⋯F hydrogen bonds and weak S⋯O (3.317 Å) and S⋯F (3.198 Å) inter-actions. The structure is further stabilized by additional inter-molecular C-H⋯O, C-H⋯F and O⋯O (2.942 Å) contacts, together with an unusual S⋯π(Cp) inter-action (S⋯centroid distance = 3.385 Å), generating an extended network.

  14. Structural and optical properties of annealed and illuminated (Ag3AsS3)0.6(As2S3)0.4 thin films

    NASA Astrophysics Data System (ADS)

    Studenyak, I. P.; Neimet, Yu. Yu.; Rati, Y. Y.; Stanko, D.; Kranjčec, M.; Kökényesi, S.; Daróci, L.; Bohdan, R.

    2014-11-01

    (Ag3AsS3)0.6(As2S3)0.4 thin films were deposited upon a quartz substrate by rapid thermal evaporation. Structural studies of the as-deposited, annealed and illuminated films were performed using XRD, scanning electron and atomic force microscopies. Surfaces of all the films were found to be covered with Ag-rich crystalline micrometer sized cones. Thermal annealing leads to mechanical deformation of part of the cones and their detachment from the base film surface while the laser illumination leads to the new formations appearance on the surface of thin films. The spectroscopic studies of optical transmission spectra for as-deposited, annealed and illuminated thin films were carried out. The optical absorption spectra in the region of its exponential behaviour were analysed, the dispersion dependences of refractive index as well as their variation after annealing and illumination were investigated.

  15. Comparison of Q3s ATD biomechanical responses to pediatric volunteers.

    PubMed

    Ita, Meagan; Kang, Yun-Seok; Seacrist, Thomas; Dahle, Eric; Bolte, John

    2014-01-01

    The biofidelity of pediatric anthropomorphic test devices (ATDs) continues to be evaluated with scaled-down adult data, a methodology that requires inaccurate assumptions about the likeness of biomechanical properties of children and adults. Recently, evaluation of pediatric ATDs by comparison of pediatric volunteer (PV) data has emerged as a valuable and practical alternative to the use of scaled adult data. This study utilized existing PV data to evaluate a 3-year-old side impact ATD, the Q3s. Though ATDs have been compared to volunteer responses in frontal impacts, this study is the first to extend ATD-PV comparison methods to the Q3s ATD and among the first to extend these methods to side impacts. Previously conducted experiments were replicated in order to make a direct comparison between the Q3s and PVs. PV data were used from 4- to 7-year-olds (shoulder tests, n=14) and 6- to 8-year-olds (sled tests, n=7). Force-deflection data were captured during quasistatic shoulder tests through manual displacement of the shoulder joint. Resulting shoulder stiffness was compared between the Q3s and PVs. Low-speed far-side sled tests were conducted with the Q3s at lateral (90°) and oblique (60°) impacts. Primary outcomes of interest included (1) lateral displacement of the torso, (2) torso rollout angle, and (3) kinematic trajectories of the head and neck. The Q3s exhibited shoulder stiffness values at least 32 N/mm greater than the PVs for all conditions (PV muscle tensed and relaxed, deflection calculated for full- and half-thoracic). In lateral sled tests, the Q3s demonstrated increased coronal torso rollout (Q3s: 49.2°; PVs: 35.7°±12.4°) and lateral (ΔY) movement of the top of the head (Q3s: -389 mm; PVs: -320±23 mm) compared to PVs. In oblique trials, the Q3s achieved significantly decreased lateral torso displacement (Q3s: 153.3 mm; PVs: 193.6±25.6 mm) and top of the head forward (ΔX) motion (Q3s: 68 mm; PVs: 133 ± 20 mm) compared to PVs. In all tests

  16. Helical order and multiferroicity in the S =1/2 quasi-kagome system KCu3As2O7(OD)3

    NASA Astrophysics Data System (ADS)

    Nilsen, G. J.; Okamoto, Y.; Ishikawa, H.; Simonet, V.; Colin, C. V.; Cano, A.; Chapon, L. C.; Hansen, T.; Mutka, H.; Hiroi, Z.

    2014-04-01

    Several Cu2+ hydroxide minerals have been recently identified as candidate realizations of the S=1/2 kagome Heisenberg model. In this context, we have studied the distorted system KCu3As2O7(OD)3 using neutron scattering and bulk measurements. Although the distortion favors magnetic order over a spin liquid ground state, refinement of the magnetic diffraction pattern below TN1=7.05(5) K yields a complex helical structure with k =(0.77,0,0.11). This structure, as well as the spin excitation spectrum, are well described by a classical Heisenberg model with ferromagnetic nearest neighbor couplings. Multiferroicity is observed below TN1, with an unusual crossover between improper and pseudoproper behavior occurring at TN2=5.5 K. The polarization at T =2 K is P =1.5μCm-2. The properties of KCu3As2O7(OD)3 highlight the variety of physics which arise from the interplay of spin and orbital degrees of freedom in Cu2+ kagome systems.

  17. Group 3 innate lymphoid cells (ILC3s): Origin, differentiation, and plasticity in humans and mice.

    PubMed

    Montaldo, Elisa; Juelke, Kerstin; Romagnani, Chiara

    2015-08-01

    Since their discovery, innate lymphoid cells (ILCs) have been the subject of intense research. As their name implies, ILCs are innate cells of lymphoid origin, and can be grouped into subsets based on their cytotoxic activity, cytokine profile, and the transcriptional requirements during ILC differentiation. The main ILC groups are "killer" ILCs, comprising NK cells, and "helper-like" ILCs (including ILC1s, ILC2s, and ILC3s). This review examines the origin, differentiation stages, and plasticity of murine and human ILC3s. ILC3s express the retinoic acid receptor (RAR) related orphan receptor RORγt and the signature cytokines IL-22 and IL-17. Fetal ILC3s or lymphoid tissue inducer cells are required for lymphoid organogenesis, while postnatally developing ILC3s are important for the generation of intestinal cryptopatches and isolated lymphoid follicles as well as for the defence against pathogens and epithelial homeostasis. Here, we discuss the transcription factors and exogenous signals (including cytokines, nutrients and cell-to-cell interaction) that drive ILC3 lineage commitment and acquisition of their distinctive effector program. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. NPOESS C3S Expandability: SafetyNet(TM) and McMurdo Improvements

    NASA Astrophysics Data System (ADS)

    Paciaroni, J.; Jamilkowski, M. L.

    2009-12-01

    and Northrop Grumman Space Technology patented data collection architecture. The centerpiece of SafetyNet(TM) is the system of fifteen globally-distributed ground receptors developed by Raytheon Company. These receptors or antennae will collect up to five times as much environmental data approximately four times faster than current polar-orbiting weather satellites. Once collected, these data will be forwarded near-instantaneously to U.S. weather centrals via global fiber optic network for processing and production of data records for use in environmental prediction models. In January 2008, Raytheon Company achieved a significant milestone for the NPOESS program by successfully completing the first phase of a major communications upgrade for Antarctica. The upgrade of the off-continent satellite communications link at McMurdo Station more than tripled the bandwidth available for scientific research, weather prediction, and health and safety of those stationed at McMurdo. The project is part of the company’s C3S under development for NPOESS. This upgrade paves the way for a second major communications upgrade planned for 2012 in preparation for the use of McMurdo Station as one of the 15 NPOESS ground stations worldwide that will be receiving environmental data collected by the NPOESS satellites.

  19. New determinations of Q quality factors and eigenfrequencies for the whole set of singlets of the Earth's normal modes 0S 0, 0S 2, 0S 3 and 2S 1 using superconducting gravimeter data from the GGP network

    NASA Astrophysics Data System (ADS)

    Roult, Geneviève; Rosat, Séverine; Clévédé, Eric; Millot-Langet, Raphaële; Hinderer, Jacques

    2006-01-01

    We present new modal Q measurements of the 0S 0 and 0S 2 modes, and first modal frequencies and Q measurements of 2S 1 and 0S 3 modes. The high quality of the GGP (Global Geodynamics Project) superconducting gravimeters (SGs) contributes to the clear observation of seismic normal modes at frequencies lower than 1 mHz and offers a good opportunity for studying the behaviour of these modes. The interest of scientists in the gravest normal modes is due to the fact that they do contribute to a better knowledge of the density profile in the Earth, helping to constrain Earth's models. These modes have been clearly identified after some large recent events recorded with superconducting gravimeters, particularly well-suited for low-frequency investigations. The Ms = 8.1 (Mw = 8.4) Peruvian earthquake of June 2001 and the Ms = 9.0 (Mw = 9.3) Sumatra-Andaman earthquake of December 2004 provide us with individual spectra which exhibit a clear splitting of the spheroidal modes 0S 2, 0S 3 and 2S 1, and a clear identification of each of the individual singlets, with a resolution never obtained from broad-band seismometers records. The Q quality factors have been determined from the apparent decrease of the amplitude of each singlet with time, according to a well-suited technique [Roult, G., Clévédé, E., 2000. New refinements in attenuation measurements from free-oscillation and surface-wave observations. Phys. Earth Planet. Inter. 121, 1-37]. The results are compared to the theoretical frequencies and Q quality factors computed for the PREM and 1066A models, taking into account both rotation and ellipticity effects of the Earth. The two observed datasets (frequencies and Q quality factors) exhibit a splitting on the observed values different from the predicted one. That seems to point out that some parameters as density or attenuation values used in the theoretical models do not explain the observations. A new dataset of frequencies and Q quality factors of the whole set of

  20. Growth Mechanism and Origin of High s p3 Content in Tetrahedral Amorphous Carbon

    NASA Astrophysics Data System (ADS)

    Caro, Miguel A.; Deringer, Volker L.; Koskinen, Jari; Laurila, Tomi; Csányi, Gábor

    2018-04-01

    We study the deposition of tetrahedral amorphous carbon (ta-C) films from molecular dynamics simulations based on a machine-learned interatomic potential trained from density-functional theory data. For the first time, the high s p3 fractions in excess of 85% observed experimentally are reproduced by means of computational simulation, and the deposition energy dependence of the film's characteristics is also accurately described. High confidence in the potential and direct access to the atomic interactions allow us to infer the microscopic growth mechanism in this material. While the widespread view is that ta-C grows by "subplantation," we show that the so-called "peening" model is actually the dominant mechanism responsible for the high s p3 content. We show that pressure waves lead to bond rearrangement away from the impact site of the incident ion, and high s p3 fractions arise from a delicate balance of transitions between three- and fourfold coordinated carbon atoms. These results open the door for a microscopic understanding of carbon nanostructure formation with an unprecedented level of predictive power.

  1. Dark matter from a classically scale-invariant S U (3 )X

    NASA Astrophysics Data System (ADS)

    Karam, Alexandros; Tamvakis, Kyriakos

    2016-09-01

    In this work we study a classically scale-invariant extension of the Standard Model in which the dark matter and electroweak scales are generated through the Coleman-Weinberg mechanism. The extra S U (3 )X gauge factor gets completely broken by the vacuum expectation values of two scalar triplets. Out of the eight resulting massive vector bosons the three lightest are stable due to an intrinsic Z2×Z2' discrete symmetry and can constitute dark matter candidates. We analyze the phenomenological viability of the predicted multi-Higgs sector imposing theoretical and experimental constraints. We perform a comprehensive analysis of the dark matter predictions of the model solving numerically the set of coupled Boltzmann equations involving all relevant dark matter processes and explore the direct detection prospects of the dark matter candidates.

  2. Hybrid fusion of linear, non-linear and spectral models for the dynamic modeling of sEMG and skeletal muscle force: an application to upper extremity amputation.

    PubMed

    Potluri, Chandrasekhar; Anugolu, Madhavi; Schoen, Marco P; Subbaram Naidu, D; Urfer, Alex; Chiu, Steve

    2013-11-01

    Estimating skeletal muscle (finger) forces using surface Electromyography (sEMG) signals poses many challenges. In general, the sEMG measurements are based on single sensor data. In this paper, two novel hybrid fusion techniques for estimating the skeletal muscle force from the sEMG array sensors are proposed. The sEMG signals are pre-processed using five different filters: Butterworth, Chebychev Type II, Exponential, Half-Gaussian and Wavelet transforms. Dynamic models are extracted from the acquired data using Nonlinear Wiener Hammerstein (NLWH) models and Spectral Analysis Frequency Dependent Resolution (SPAFDR) models based system identification techniques. A detailed comparison is provided for the proposed filters and models using 18 healthy subjects. Wavelet transforms give higher mean correlation of 72.6 ± 1.7 (mean ± SD) and 70.4 ± 1.5 (mean ± SD) for NLWH and SPAFDR models, respectively, when compared to the other filters used in this work. Experimental verification of the fusion based hybrid models with wavelet transform shows a 96% mean correlation and 3.9% mean relative error with a standard deviation of ± 1.3 and ± 0.9 respectively between the overall hybrid fusion algorithm estimated and the actual force for 18 test subjects' k-fold cross validation data. © 2013 Elsevier Ltd. All rights reserved.

  3. 3D Model of the Tuscarora Geothermal Area

    DOE Data Explorer

    Faulds, James E.

    2013-12-31

    The Tuscarora geothermal system sits within a ~15 km wide left-step in a major west-dipping range-bounding normal fault system. The step over is defined by the Independence Mountains fault zone and the Bull Runs Mountains fault zone which overlap along strike. Strain is transferred between these major fault segments via and array of northerly striking normal faults with offsets of 10s to 100s of meters and strike lengths of less than 5 km. These faults within the step over are one to two orders of magnitude smaller than the range-bounding fault zones between which they reside. Faults within the broad step define an anticlinal accommodation zone wherein east-dipping faults mainly occupy western half of the accommodation zone and west-dipping faults lie in the eastern half of the accommodation zone. The 3D model of Tuscarora encompasses 70 small-offset normal faults that define the accommodation zone and a portion of the Independence Mountains fault zone, which dips beneath the geothermal field. The geothermal system resides in the axial part of the accommodation, straddling the two fault dip domains. The Tuscarora 3D geologic model consists of 10 stratigraphic units. Unconsolidated Quaternary alluvium has eroded down into bedrock units, the youngest and stratigraphically highest bedrock units are middle Miocene rhyolite and dacite flows regionally correlated with the Jarbidge Rhyolite and modeled with uniform cumulative thickness of ~350 m. Underlying these lava flows are Eocene volcanic rocks of the Big Cottonwood Canyon caldera. These units are modeled as intracaldera deposits, including domes, flows, and thick ash deposits that change in thickness and locally pinch out. The Paleozoic basement of consists metasedimenary and metavolcanic rocks, dominated by argillite, siltstone, limestone, quartzite, and metabasalt of the Schoonover and Snow Canyon Formations. Paleozoic formations are lumped in a single basement unit in the model. Fault blocks in the eastern

  4. A 3D Model of the Thermoelectric Microwave Power Sensor by MEMS Technology

    PubMed Central

    Yi, Zhenxiang; Liao, Xiaoping

    2016-01-01

    In this paper, a novel 3D model is proposed to describe the temperature distribution of the thermoelectric microwave power sensor. In this 3D model, the heat flux density decreases from the upper surface to the lower surface of the GaAs substrate while it was supposed to be a constant in the 2D model. The power sensor is fabricated by a GaAs monolithic microwave integrated circuit (MMIC) process and micro-electro-mechanical system (MEMS) technology. The microwave performance experiment shows that the S11 is less than −26 dB over the frequency band of 1–10 GHz. The power response experiment demonstrates that the output voltage increases from 0 mV to 27 mV, while the incident power varies from 1 mW to 100 mW. The measured sensitivity is about 0.27 mV/mW, and the calculated result from the 3D model is 0.28 mV/mW. The relative error has been reduced from 7.5% of the 2D model to 3.7% of the 3D model. PMID:27338395

  5. NPOESS C3S Expandability: SafetyNetTM and McMurdo Improvements

    NASA Astrophysics Data System (ADS)

    Jamilkowski, M. L.; Paciaroni, J.; Pela, F.

    2010-12-01

    fifteen globally-distributed ground receptors developed by Raytheon Company. These antennae will collect up to five times as much environmental data approximately four times faster than current polar-orbiting weather satellites. Once collected, these data will be forwarded near-instantaneously to US weather centrals via the global fiber optic network for processing in environmental prediction models. In January 2008, Raytheon Company achieved a significant milestone for the NPOESS program by successfully completing the first phase of a major communications upgrade for Antarctica. The upgrade of the off-continent satellite communications link at McMurdo Station more than tripled the bandwidth available for scientific research, weather prediction, and health & safety of those stationed at McMurdo. The project is part of the company’s C3S under development for NPOESS. This upgrade paves the way for a second major communications upgrade planned for 2012 in preparation for the use of McMurdo Station as one of the 15 NPOESS ground stations worldwide that will be receiving environmental data collected by the NPOESS satellites. SafetyNet is a trademark of Northrop Grumman Aerospace Systems.

  6. Synthesis, Electrochemistry, and Reactivity of the Actinide Trisulfides [K(18-crown-6)][An(η(3)-S3)(NR2)3] (An = U, Th; R = SiMe3).

    PubMed

    Smiles, Danil E; Wu, Guang; Hayton, Trevor W

    2016-09-19

    The reaction of [Th(I)(NR2)3] (R = SiMe3) with [K(18-crown-6)]2[S4] results in the formation of [K(18-crown-6)][Th(η(3)-S3)(NR2)3] (2). Oxidation of 2, or its uranium analogue, [K(18-crown-6)][U(η(3)-S3)(NR2)3] (1), with AgOTf, in an attempt to generate an [S3](•-) complex, results in the formation of [K(18-crown-6)][An(OTf)2(NR2)3] (3, An = U; 4, An = Th) as the only isolable products. These results suggest that the putative [S3](•-) ligand is only weakly coordinating and can be easily displaced by nucleophiles.

  7. High-pressure polymorphism of As2S3 and new AsS2 modification with layered structure

    NASA Astrophysics Data System (ADS)

    Bolotina, N. B.; Brazhkin, V. V.; Dyuzheva, T. I.; Katayama, Y.; Kulikova, L. F.; Lityagina, L. V.; Nikolaev, N. A.

    2014-01-01

    At normal pressure, the As2S3 compound is the most stable equilibrium modification with unique layered structure. The possibility of high-pressure polymorphism of this substance remains questionable. Our research showed that the As2S3 substance was metastable under pressures P > 6 GPa decomposing into two high-pressure phases: As2S3 → AsS2 + AsS. New AsS2 phase can be conserved in the single crystalline form in metastable state at room pressure up to its melting temperature (470 K). This modification has the layered structure with P1211 monoclinic symmetry group; the unit-cell values are a = 7.916(2) Å, b = 9.937(2) Å, c = 7.118(1) Å, β = 106.41° ( Z = 8, density 3.44 g/cm3). Along with the recently studied AsS high-pressure modification, the new AsS2 phase suggests that high pressure polymorphism is a very powerful tool to create new layered-structure phases with "wrong" stoichiometry.

  8. Axion dark matter in a 3 -3 -1 model

    NASA Astrophysics Data System (ADS)

    Montero, J. C.; Romero Castellanos, Ana R.; Sánchez-Vega, B. L.

    2018-03-01

    Slightly extending a right-handed neutrino version of the 3 -3 -1 model, we show that it is not only possible to solve the strong C P problem but also to give the total dark matter abundance reported by the Planck collaboration. Specifically, we consider the possibility of introducing a 3 -3 -1 scalar singlet to implement a gravity stable Peccei-Quinn mechanism in this model. Remarkably, for allowed regions of the parameter space, the arising axions with masses ma≈meV can both make up the total dark matter relic density through nonthermal production mechanisms and be very close to the region to be explored by the IAXO helioscope.

  9. Econometric Models of U.S. Navy Career Petty Officer Retention.

    DTIC Science & Technology

    1981-06-01

    PF AD-AL04 076 NAVAL POSTGRADUATE SCHOOL MONTEREY CA F/6 5/9 ECONO ETRIC MODELS OF U.S. NAVY CAREER PETTY OFFICER RETENTION.(Ul JUN 81 J J B PKO...THESIS D . ECONOMETRIC MODELS OF U. S. NAVY CAREER PETTY OFFICER RETENTION SML Vby John Joseph Bepko III June 1981 Thesis Advisor: George W. Thomas...DOCUMENTATION PACE 33703 coTu~rwc oEm 0419PsR 01N1911VT*48~ &GM01 1𔃻. 411CIP1SIMYS CATALOG IulmSIS Econometric Models of U. S. Navy Career Petty 1’ t h s s j

  10. Measuring the free neutron lifetime to <= 0.3s via the beam method

    NASA Astrophysics Data System (ADS)

    Mulholland, Jonathan; Fomin, Nadia; BL3 Collaboration

    2015-10-01

    Neutron beta decay is an archetype for all semi-leptonic charged-current weak processes. A precise value for the neutron lifetime is required for consistency tests of the Standard Model and is needed to predict the primordial 4He abundance from the theory of Big Bang Nucleosynthesis. An effort has begun for an in-beam measurement of the neutron lifetime with an projected <=0.3s uncertainty. This effort is part of a phased campaign of neutron lifetime measurements based at the NIST Center for Neutron Research, using the Sussex-ILL-NIST technique. Recent advances in neutron fluence measurement techniques as well as new large area silicon detector technology address the two largest sources of uncertainty of in-beam measurements, paving the way for a new measurement. The experimental design and projected uncertainties for the 0.3s measurement will be discussed.

  11. A conserved threonine in the S1-S2 loop of KV7.2 and K V7.3 channels regulates voltage-dependent activation.

    PubMed

    Füll, Yvonne; Seebohm, Guiscard; Lerche, Holger; Maljevic, Snezana

    2013-06-01

    The voltage-gated potassium channels KV7.2 and KV7.3 (KCNQ2/3 genes) play an important role in regulating neuronal excitability. More than 50 KCNQ2/3 mutations have been identified to cause an inherited form of epilepsy in newborns. For two of those (E119G and S122L) found in the S1-S2 region of KV7.2, we previously showed a decreased channel availability mainly at action potential subthreshold voltages caused by a slight depolarizing shift of the activation curve. Interestingly, recent studies revealed that a threonine residue within the S1-S2 loop, highly conserved among different classes of KV channels, is crucial for both their function and surface expression. To investigate the functional role of the homologous threonine residues in KV7.2 (T114) and KV7.3 (T144) channels, we replaced them with alanine and examined the electrophysiological properties using heterologous expression in CHO cells and whole cell patch clamping. Channels comprising mutant subunits yielded decreased potassium currents with slowed activation and accelerated deactivation kinetics. However, the most striking effect was a depolarizing shift in the voltage dependence of activation reaching +30 mV upon co-expression of both mutant subunits. Potential interactions of T114 within the channel were analyzed by creating a 3D homology model of KV7.2 in an open state suggesting that this residue plays a central role in the formation of a stable interface between the S1-S2 and the S5 segment helices. This could be the explanation why substitution of the conserved threonine in KV7.2 and KV7.3 channels destabilizes the open and favors the closed state of these channels.

  12. Activation of PLC by an endogenous cytokine (GBP) in Drosophila S3 cells and its application as a model for studying inositol phosphate signalling through ITPK1.

    PubMed

    Zhou, Yixing; Wu, Shilan; Wang, Huanchen; Hayakawa, Yoichi; Bird, Gary S; Shears, Stephen B

    2012-12-01

    Using immortalized [3H]inositol-labelled S3 cells, we demonstrated in the present study that various elements of the inositol phosphate signalling cascade are recruited by a Drosophila homologue from a cytokine family of so-called GBPs (growth-blocking peptides). HPLC analysis revealed that dGBP (Drosophila GBP) elevated Ins(1,4,5)P3 levels 9-fold. By using fluorescent Ca2+ probes, we determined that dGBP initially mobilized Ca2+ from intracellular pools; the ensuing depletion of intracellular Ca2+ stores by dGBP subsequently activated a Ca2+ entry pathway. The addition of dsRNA (double-stranded RNA) to knock down expression of the Drosophila Ins(1,4,5)P3 receptor almost completely eliminated mobilization of intracellular Ca2+ stores by dGBP. Taken together, the results of the present study describe a classical activation of PLC (phospholipase C) by dGBP. The peptide also promoted increases in the levels of other inositol phosphates with signalling credentials: Ins(1,3,4,5)P4, Ins(1,4,5,6)P4 and Ins(1,3,4,5,6)P5. These results greatly expand the regulatory repertoire of the dGBP family, and also characterize S3 cells as a model for studying the regulation of inositol phosphate metabolism and signalling by endogenous cell-surface receptors. We therefore created a cell-line (S3ITPK1) in which heterologous expression of human ITPK (inositol tetrakisphosphate kinase) was controlled by an inducible metallothionein promoter. We found that dGBP-stimulated S3ITPK1 cells did not synthesize Ins(3,4,5,6)P4, contradicting a hypothesis that the PLC-coupled phosphotransferase activity of ITPK1 [Ins(1,3,4,5,6)P5+Ins(1,3,4)P3→Ins(3,4,5,6)P4+Ins(1,3,4,6)P4] is driven solely by the laws of mass action [Chamberlain, Qian, Stiles, Cho, Jones, Lesley, Grabau, Shears and Spraggon (2007) J. Biol. Chem. 282, 28117-28125]. This conclusion represents a fundamental breach in our understanding of ITPK1 signalling.

  13. B-cell homeostasis requires complementary CD22 and BLyS/BR3 survival signals.

    PubMed

    Smith, Susan H; Haas, Karen M; Poe, Jonathan C; Yanaba, Koichi; Ward, Christopher D; Migone, Thi-Sau; Tedder, Thomas F

    2010-08-01

    Peripheral B-cell numbers are tightly regulated by homeostatic mechanisms that influence the transitional and mature B-cell compartments and dictate the size and clonotypic diversity of the B-cell repertoire. B-lymphocyte stimulator (BLyS, a trademark of Human Genome Sciences, Inc.) plays a key role in regulating peripheral B-cell homeostasis. CD22 also promotes peripheral B-cell survival through ligand-dependent mechanisms. The B-cell subsets affected by the absence of BLyS and CD22 signals overlap, suggesting that BLyS- and CD22-mediated survival are intertwined. To examine this, the effects of BLyS insufficiency following neutralizing BLyS mAb treatment in mice also treated with CD22 ligand-blocking mAb were examined. Combined targeting of the BLyS and CD22 survival pathways led to significantly greater clearance of recirculating bone marrow, blood, marginal zone and follicular B cells than either treatment alone. Likewise, BLyS blockade further reduced bone marrow, blood and spleen B-cell numbers in CD22(-/-) mice. Notably, BLyS receptor expression and downstream signaling were normal in CD22(-/-) B cells, suggesting that CD22 does not directly alter BLyS responsiveness. CD22 survival signals were likewise intact in the absence of BLyS, as CD22 mAb treatment depleted blood B cells from mice with impaired BLyS receptor 3 (BR3) signaling. Finally, enforced BclxL expression, which rescues BR3 impairment, did not affect B-cell depletion following CD22 mAb treatment. Thus, the current studies support a model whereby CD22 and BLyS promote the survival of overlapping B-cell subsets but contribute to their maintenance through independent and complementary signaling pathways.

  14. Substrate inhibition kinetic model for West Nile virus NS2B-NS3 protease.

    PubMed

    Tomlinson, Suzanne M; Watowich, Stanley J

    2008-11-11

    West Nile virus (WNV) has recently emerged in North America as a significant disease threat to humans and animals. Unfortunately, no approved antiviral drugs exist to combat WNV or other members of the genus Flavivirus in humans. The WNV NS2B-NS3 protease has been one of the primary targets for anti-WNV drug discovery and design since it is required for virus replication. As part of our efforts to develop effective WNV inhibitors, we reexamined the reaction kinetics of the NS2B-NS3 protease and the inhibition mechanisms of newly discovered inhibitors. The WNV protease showed substrate inhibition in assays utilizing fluorophore-linked peptide substrates GRR, GKR, and DFASGKR. Moreover, a substrate inhibition reaction step was required to accurately model kinetic data generated from protease assays with a peptide inhibitor. The substrate inhibition model suggested that peptide substrates could bind to two binding sites on the protease. Reaction product analogues also showed inhibition of the protease, demonstrating product inhibition in addition to and distinct from substrate inhibition. We propose that small peptide substrates and inhibitors may interact with protease residues that form either the P3-P1 binding surface (i.e., the S3-S1 sites) or the P1'-P3' interaction surface (i.e., the S1'-S3' sites). Optimization of substrate analogue inhibitors that target these two independent sites may lead to novel anti-WNV drugs.

  15. Permutation-symmetric three-particle hyper-spherical harmonics based on the S3 ⊗ SO(3)rot ⊂ O(2)⊗SO(3)rot ⊂ U(3)⋊S2 ⊂ O(6) subgroup chain

    NASA Astrophysics Data System (ADS)

    Salom, Igor; Dmitrašinović, V.

    2017-07-01

    We construct the three-body permutation symmetric hyperspherical harmonics to be used in the non-relativistic three-body Schrödinger equation in three spatial dimensions (3D). We label the state vectors according to the S3 ⊗ SO(3)rot ⊂ O (2) ⊗ SO(3)rot ⊂ U (3) ⋊S2 ⊂ O (6) subgroup chain, where S3 is the three-body permutation group and S2 is its two element subgroup containing transposition of first two particles, O (2) is the ;democracy transformation;, or ;kinematic rotation; group for three particles; SO(3)rot is the 3D rotation group, and U (3) , O (6) are the usual Lie groups. We discuss the good quantum numbers implied by the above chain of algebras, as well as their relation to the S3 permutation properties of the harmonics, particularly in view of the SO(3)rot ⊂ SU (3) degeneracy. We provide a definite, practically implementable algorithm for the calculation of harmonics with arbitrary finite integer values of the hyper angular momentum K, and show an explicit example of this construction in a specific case with degeneracy, as well as tables of K ≤ 6 harmonics. All harmonics are expressed as homogeneous polynomials in the Jacobi vectors (λ , ρ) with coefficients given as algebraic numbers unless the ;operator method; is chosen for the lifting of the SO(3)rot ⊂ SU (3) multiplicity and the dimension of the degenerate subspace is greater than four - in which case one must resort to numerical diagonalization; the latter condition is not met by any K ≤ 15 harmonic, or by any L ≤ 7 harmonic with arbitrary K. We also calculate a certain type of matrix elements (the Gaunt integrals of products of three harmonics) in two ways: 1) by explicit evaluation of integrals and 2) by reduction to known SU (3) Clebsch-Gordan coefficients. In this way we complete the calculation of the ingredients sufficient for the solution to the quantum-mechanical three-body bound state problem.

  16. 3D QSAR studies on protein tyrosine phosphatase 1B inhibitors: comparison of the quality and predictivity among 3D QSAR models obtained from different conformer-based alignments.

    PubMed

    Pandey, Gyanendra; Saxena, Anil K

    2006-01-01

    A set of 65 flexible peptidomimetic competitive inhibitors (52 in the training set and 13 in the test set) of protein tyrosine phosphatase 1B (PTP1B) has been used to compare the quality and predictive power of 3D quantitative structure-activity relationship (QSAR) comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) models for the three most commonly used conformer-based alignments, namely, cocrystallized conformer-based alignment (CCBA), docked conformer-based alignment (DCBA), and global minima energy conformer-based alignment (GMCBA). These three conformers of 5-[(2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}amino)3-oxo-3-pentylamino)propyl]-2-(carboxymethoxy)benzoic acid (compound number 66) were obtained from the X-ray structure of its cocrystallized complex with PTP1B (PDB ID: 1JF7), its docking studies, and its global minima by simulated annealing. Among the 3D QSAR models developed using the above three alignments, the CCBA provided the optimal predictive CoMFA model for the training set with cross-validated r2 (q2)=0.708, non-cross-validated r2=0.902, standard error of estimate (s)=0.165, and F=202.553 and the optimal CoMSIA model with q2=0.440, r2=0.799, s=0.192, and F=117.782. These models also showed the best test set prediction for the 13 compounds with predictive r2 values of 0.706 and 0.683, respectively. Though the QSAR models derived using the other two alignments also produced statistically acceptable models in the order DCBA>GMCBA in terms of the values of q2, r2, and predictive r2, they were inferior to the corresponding models derived using CCBA. Thus, the order of preference for the alignment selection for 3D QSAR model development may be CCBA>DCBA>GMCBA, and the information obtained from the CoMFA and CoMSIA contour maps may be useful in designing specific PTP1B inhibitors.

  17. Mirtazapine has a therapeutic potency in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-induced mice model of Parkinson’s disease

    PubMed Central

    2014-01-01

    Background Mirtazapine, a noradrenergic and specific serotonergic antidepressant (NaSSA), shows multiple pharmacological actions such as inhibiting presynaptic α2 noradrenaline receptor (NAR) and selectively activating 5-hydroxytriptamine (5-HT) 1A receptor (5-HT1AR). Mirtazapine was also reported to increase dopamine release in the cortical neurons with 5-HT dependent manner. To examine whether mirtazapine has a therapeutic potency in Parkinson’s disease (PD), we examined this compound in 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)-treated mice model of PD. Results Male C57BL/6 mice were subjected to MPTP treatment to establish a PD model. Mirtazapine was administered once a day for 3 days after MPTP treatment. MPTP-induced motor dysfunction, assessed by beam-walking and rota-rod tests, was significantly improved by administration of mirtazapine. Biochemical examinations by high performance liquid chromatography and western blot analysis suggested mirtazapine facilitated utilization of dopamine by increasing turnover and protein expression of transporters, without affecting on neurodegenerative process by MPTP. These therapeutic effects of mirtazapine were reduced by administration of WAY100635, an inhibitor for 5HT1AR, or of clonidine, a selective agonist for α2-NAR, or of prazosin, an inhibitor for α1-NAR, respectively. Conclusion Our results showed mirtazapine had a therapeutic potency against PD in a mouse model. Because PD patients sometimes show depression together, it will be a useful drug for a future PD treatment. PMID:24965042

  18. Development and photoelectric properties of In/p-Ag{sub 3}AsS{sub 3} surface-barrier structures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rud', V. Yu., E-mail: rudvas@spbstu.ru; Rud', Yu. V.; Terukov, E. I.

    2010-08-15

    Homogeneous p-Ag{sub 3}AsS{sub 3} bulk single crystals with rhombic structure have been grown by planar crystallization from melts with atomic composition corresponding to this ternary compound. Photosensitive surface-barrier structures based on the interface between the surface of these crystals and thin films of pure indium are fabricated for the first time. The photosensitivity of fabricated structures is studied in natural and linearly polarized light. Photosensitivity spectra of In/p-Ag{sub 3}AsS{sub 3} structures are measured for the first time and used to determine the nature and energy of interband transitions in p-Ag{sub 3}AsS{sub 3} crystals. The phenomenon of natural photopleochroism is studiedmore » for surface-barrier structures grown on oriented p-Ag{sub 3}AsS{sub 3} single crystals. It is concluded that Ag{sub 3}AsS{sub 3} single crystals can be used in photoconverters of natural and linearly polarized light.« less

  19. Highly Enhanced Thermoelectric Properties of Bi/Bi2S3 Nanocomposites.

    PubMed

    Ge, Zhen-Hua; Qin, Peng; He, DongSheng; Chong, Xiaoyu; Feng, Dan; Ji, Yi-Hong; Feng, Jing; He, Jiaqing

    2017-02-08

    Bismuth sulfide (Bi 2 S 3 ) has been of high interest for thermoelectric applications due to the high abundance of sulfur on Earth. However, the low electrical conductivity of pristine Bi 2 S 3 results in a low figure of merit (ZT). In this work, Bi 2 S 3 @Bi core-shell nanowires with different Bi shell thicknesses were prepared by a hydrothermal method. The core-shell nanowires were densified to Bi/Bi 2 S 3 nanocomposite by spark plasma sintering (SPS), and the structure of the nanowire was maintained as the nanocomposite due to rapid SPS processing and low sintering temperature. The thermoelectric properties of bulk samples were investigated. The electrical conductivity of a bulk sample after sintering at 673 K for 5 min using Bi 2 S 3 @Bi nanowire powders prepared by treating Bi 2 S 3 nanowires in a hydrazine solution for 3 h is 3 orders of magnitude greater than that of a pristine Bi 2 S 3 sample. The nanocomposite possessed the highest ZT value of 0.36 at 623 K. This represents a new strategy for densifying core-shell powders to enhance their thermoelectric properties.

  20. S2PLOT: Three-dimensional (3D) Plotting Library

    NASA Astrophysics Data System (ADS)

    Barnes, D. G.; Fluke, C. J.; Bourke, P. D.; Parry, O. T.

    2011-03-01

    We present a new, three-dimensional (3D) plotting library with advanced features, and support for standard and enhanced display devices. The library - S2PLOT - is written in C and can be used by C, C++ and FORTRAN programs on GNU/Linux and Apple/OSX systems. S2PLOT draws objects in a 3D (x,y,z) Cartesian space and the user interactively controls how this space is rendered at run time. With a PGPLOT inspired interface, S2PLOT provides astronomers with elegant techniques for displaying and exploring 3D data sets directly from their program code, and the potential to use stereoscopic and dome display devices. The S2PLOT architecture supports dynamic geometry and can be used to plot time-evolving data sets, such as might be produced by simulation codes. In this paper, we introduce S2PLOT to the astronomical community, describe its potential applications, and present some example uses of the library.

  1. Involvement of S100A8/A9-TLR4-NLRP3 Inflammasome Pathway in Contrast-Induced Acute Kidney Injury.

    PubMed

    Tan, Xuexian; Zheng, Xiaohe; Huang, Zena; Lin, Jiaqiong; Xie, Chuli; Lin, Yan

    2017-01-01

    Contrast-induced acute kidney injury (CIAKI) is a common cause of hospital-acquired acute kidney injury (AKI). S100A8/A9-TLR4-NLRP3 inflammasome pathway triggers inflammation, apoptosis and tissue injury in several AKI models. Nevertheless, the underlying mechanism of S100A8/A9-TLR4-NLRP3 inflammasome pathway in CIKAI is not clear. We aimed to investigate the possible role of S100A8/A9-TLR4-NLRP3 inflammasome in the pathophysiology of CIAKI. We treated male rats and NRK-52E cells by iopromide to establish in vivo and in vitro models of CIAKI. We collected serum and urine samples to detect renal function. We obtained kidney tissue for histological analysis and detection of protein concentration. We used inhibitor of TLR4 and NLRP3-siRNA to further testify their role in CIAKI in NRK-52E cells. Iopromide caused elevation of SCr, BUN and NGAL level, decrease of endogenous creatinine clearance, morphological injury and tubular apoptosis, enhanced IL-1β and IL-18 expression, and increased expression of S100A8/A9, TLR4 and NLRP3 inflammsome. In NRK-52E cells, iopromide caused enhanced apoptotic rates and ROS generation, which could be ameliorated by inhibitor of TLR4 and NLRP3-siRNA. Moreover, inhibition of TLR4 dampened NLRP3 expression. S100A8/A9-TLR4-NLRP3 inflammasome pathway represented a key mechanism of CI-AKI, which provided a potential therapeutic target. © 2017 The Author(s). Published by S. Karger AG, Basel.

  2. 3D Modeling and Printing in History/Social Studies Classrooms: Initial Lessons and Insights

    ERIC Educational Resources Information Center

    Maloy, Robert; Trust, Torrey; Kommers, Suzan; Malinowski, Allison; LaRoche, Irene

    2017-01-01

    This exploratory study examines the use of 3D technology by teachers and students in four middle school history/social studies classrooms. As part of a university-developed 3D Printing 4 Teaching & Learning project, teachers integrated 3D modeling and printing into curriculum topics in world geography, U.S. history, and government/civics.…

  3. Modulation of Platelet Activation and Thrombus Formation Using a Pan-PI3K Inhibitor S14161

    PubMed Central

    Ren, Lijie; Liu, Xiaohui; Wang, Qi; He, Sudan; Wu, Qingyu; Hu, Hu; Mao, Xinliang; Zhu, Li

    2014-01-01

    The phosphatidylinositol 3–kinase (PI3K) signaling pathway is critical in modulating platelet functions. In the present study, we evaluated the effect of S14161, a recently identified pan-class I PI3K inhibitor, on platelet activation and thrombus formation. Results showed that S14161 inhibited human platelet aggregation induced by collagen, thrombin, U46619, and ADP in a dose-dependent manner. Flow cytometric studies showed that S14161 inhibited convulxin- or thrombin-induced P-selectin expression and fibrinogen binding of single platelet. S14161 also inhibited platelet spreading on fibrinogen and clot retraction, processes mediated by outside-in signaling. Using a microfluidic chamber we demonstrated that S14161 decreased platelet adhesion on collagen-coated surface by about 80%. Western blot showed that S14161 inhibited phosphorylation of Akt at both Ser473 and Thr308 sites, and GSK3β at Ser9 in response to collagen, thrombin, or U46619. Comparable studies showed that S14161 has a higher potential bioavailability than LY294002, a prototypical inhibitor of pan-class I PI3K. Finally, the effects of S14161 on thrombus formation in vivo were measured using a ferric chloride-induced carotid artery injury model in mice. The intraperitoneal injection of S14161 (2 mg/kg) to male C57BL/6 mice significantly extended the first occlusion time (5.05±0.99 min, n = 9) compared to the vehicle controls (3.72±0.95 min, n = 8) (P<0.05), but did not prolong the bleeding time (P>0.05). Taken together, our data showed that S14161 inhibits platelet activation and thrombus formation without significant bleeding tendency and toxicity, and considering its potential higher bioavailability, it may be developed as a novel therapeutic agent for the prevention of thrombotic disorders. PMID:25115838

  4. Using S3 cloud storage with ROOT and CvmFS

    NASA Astrophysics Data System (ADS)

    Arsuaga-Ríos, María; Heikkilä, Seppo S.; Duellmann, Dirk; Meusel, René; Blomer, Jakob; Couturier, Ben

    2015-12-01

    Amazon S3 is a widely adopted web API for scalable cloud storage that could also fulfill storage requirements of the high-energy physics community. CERN has been evaluating this option using some key HEP applications such as ROOT and the CernVM filesystem (CvmFS) with S3 back-ends. In this contribution we present an evaluation of two versions of the Huawei UDS storage system stressed with a large number of clients executing HEP software applications. The performance of concurrently storing individual objects is presented alongside with more complex data access patterns as produced by the ROOT data analysis framework. Both Huawei UDS generations show a successful scalability by supporting multiple byte-range requests in contrast with Amazon S3 or Ceph which do not support these commonly used HEP operations. We further report the S3 integration with recent CvmFS versions and summarize the experience with CvmFS/S3 for publishing daily releases of the full LHCb experiment software stack.

  5. Photoconductive properties of Bi{sub 2}S{sub 3} nanowires

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Andzane, J., E-mail: jana.andzane@lu.lv; Kunakova, G.; Erts, D.

    2015-02-14

    The photoconductive properties of Bi{sub 2}S{sub 3} nanowires synthesized inside anodized alumina (AAO) membrane have been characterized as a function of illuminating photon energy between the wavelengths of 500 to 900 nm and at constant illumination intensity of 1–4 μW·cm{sup −2}. Photoconductivity spectra, photocurrent values, photocurrent onset/decay times of individual Bi{sub 2}S{sub 3} nanowires liberated from the AAO membrane were determined and compared with those of arrays of as-produced Bi{sub 2}S{sub 3} nanowires templated inside pores of AAO membrane. The alumina membrane was found to significantly influence the photoconductive properties of the AAO-hosted Bi{sub 2}S{sub 3} nanowires, when compared to liberated frommore » the AAO membrane individual Bi{sub 2}S{sub 3} nanowires, possibly due to charge carrier trapping at the interface between the nanowire surface and the pore walls.« less

  6. The La{sub 2}S{sub 3}-LaS{sub 2} system: Thermodynamic and kinetic study

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vasilyeva, I.G., E-mail: kamarz@niic.nsc.r; Nikolaev, R.E.

    2010-08-15

    A detailed thermodynamic study of the LaS{sub 2}-La{sub 2}S{sub 3} system in the temperature range 350-1000 {sup o}C was performed, starting from high quality crystals LaS{sub 2} as the highest polysulfide in the system, and using a sensitive static tensimetric method with a quartz Bourdon gauge and a membrane as a null-point instrument. The p{sub S}-T-x diagram obtained has shown that the phase region covering the composition between LaS{sub 2} and La{sub 2}S{sub 3}, which was previously described as a single grossly nonstoichiometric phase, consists of three discrete stoichiometric phases, LaS{sub 2.00}, LaS{sub 1.91}, and LaS{sub 1.76}, where compositions couldmore » be determined with an accuracy of {+-}0.01 f.u. The thermodynamic characteristics of evaporation of the polysulfides as well as standard heat of LaS{sub 2} formation were calculated. The role of kinetics in the formation of ordered superstructures of sulfur-poorer polysulfides with different formal concentration of vacancies is considered. - Graphical abstract: The p{sub S}-T stability fields for La-polysulfides in the concentration range between LaS{sub 2} and La{sub 2}S{sub 3}.« less

  7. S3D: An interactive surface grid generation tool

    NASA Technical Reports Server (NTRS)

    Luh, Raymond Ching-Chung; Pierce, Lawrence E.; Yip, David

    1992-01-01

    S3D, an interactive software tool for surface grid generation, is described. S3D provides the means with which a geometry definition based either on a discretized curve set or a rectangular set can be quickly processed towards the generation of a surface grid for computational fluid dynamics (CFD) applications. This is made possible as a result of implementing commonly encountered surface gridding tasks in an environment with a highly efficient and user friendly graphical interface. Some of the more advanced features of S3D include surface-surface intersections, optimized surface domain decomposition and recomposition, and automated propagation of edge distributions to surrounding grids.

  8. 3D Printing of Molecular Models

    ERIC Educational Resources Information Center

    Gardner, Adam; Olson, Arthur

    2016-01-01

    Physical molecular models have played a valuable role in our understanding of the invisible nano-scale world. We discuss 3D printing and its use in producing models of the molecules of life. Complex biomolecular models, produced from 3D printed parts, can demonstrate characteristics of molecular structure and function, such as viral self-assembly,…

  9. In Search of Optimal Cognitive Diagnostic Model(s) for ESL Grammar Test Data

    ERIC Educational Resources Information Center

    Yi, Yeon-Sook

    2017-01-01

    This study compares five cognitive diagnostic models in search of optimal one(s) for English as a Second Language grammar test data. Using a unified modeling framework that can represent specific models with proper constraints, the article first fit the full model (the log-linear cognitive diagnostic model, LCDM) and investigated which model…

  10. Stability of M 3S 3 complexes on fcc M(111) surfaces: M = Au, Ag, Cu, and Ni

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Da-Jiang; Lee, Jiyoung; Windus, Theresa L.

    Density Functional Theory is utilized to assess the stability of metal (M)-sulfur (S) complexes adsorbed on fcc M(111) surfaces, specifically considering S-decorated planar M trimers, M 3S 3. Scanning Tunneling Microscopy studies have identified structures proposed to be Ni 3S 3 on Ni(111), and Au 3S 3 on Au(111). In addition, Cu 3S 3 on Cu(111) has been suggested to facilitate enhanced Cu surface mass transport. Our analysis considers M 3S 3 complexes for M = Au, Ag, Cu, and Ni, assessing key measures of stability on surfaces, and also comparing behavior with trends in gas-phase stability. These surface andmore » gas-phase analyses are systematically related within the framework of Hess’s law, which allows elucidation of various contributions to the overall energetics. In all cases, the adsorbed complex is stable relative to its separated constituents adsorbed on the terrace. However, only for Ag does one find a negative energy of formation from excess S on terraces and M extracted from kink sites along step edges, implying spontaneous complex formation for this pathway. We interpret various experimental observations in the context of our results for energetics.« less

  11. Stability of M 3S 3 complexes on fcc M(111) surfaces: M = Au, Ag, Cu, and Ni

    DOE PAGES

    Liu, Da-Jiang; Lee, Jiyoung; Windus, Theresa L.; ...

    2018-02-08

    Density Functional Theory is utilized to assess the stability of metal (M)-sulfur (S) complexes adsorbed on fcc M(111) surfaces, specifically considering S-decorated planar M trimers, M 3S 3. Scanning Tunneling Microscopy studies have identified structures proposed to be Ni 3S 3 on Ni(111), and Au 3S 3 on Au(111). In addition, Cu 3S 3 on Cu(111) has been suggested to facilitate enhanced Cu surface mass transport. Our analysis considers M 3S 3 complexes for M = Au, Ag, Cu, and Ni, assessing key measures of stability on surfaces, and also comparing behavior with trends in gas-phase stability. These surface andmore » gas-phase analyses are systematically related within the framework of Hess’s law, which allows elucidation of various contributions to the overall energetics. In all cases, the adsorbed complex is stable relative to its separated constituents adsorbed on the terrace. However, only for Ag does one find a negative energy of formation from excess S on terraces and M extracted from kink sites along step edges, implying spontaneous complex formation for this pathway. We interpret various experimental observations in the context of our results for energetics.« less

  12. Improving the {sup 33}S(p,{gamma}){sup 34}Cl Reaction Rate for Models of Classical Nova Explosions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Parikh, A.; Faestermann, Th.; Kruecken, R.

    2011-10-28

    Reduced uncertainty in the thermonuclear rate of the {sup 33}S(p,{gamma}){sup 34}Cl reaction would help to improve our understanding of nucleosynthesis in classical nova explosions. At present, models are generally in concordance with observations that nuclei up to roughly the calcium region may be produced in these explosive phenomena; better knowledge of this rate would help with the quantitative interpretation of nova observations over the S-Ca mass region, and contribute towards the firm establishment of a nucleosynthetic endpoint. As well, models find that the ejecta of nova explosions on massive oxygen-neon white dwarfs may contain as much as 150 times themore » solar abundance of {sup 33}S. This characteristic isotopic signature of a nova explosion could possibly be observed through the analysis of microscopic grains formed in the environment surrounding a nova and later embedded within primitive meteorites. An improved {sup 33}S(p,{gamma}){sup 34}Cl rate (the principal destruction mechanism for {sup 33}S in novae) would help to ensure a robust model prediction for the amount of {sup 33}S that may be produced. Finally, constraining this rate could confirm or rule out the decay of an isomeric state of {sup 34}Cl(E{sub x} = 146 keV, t{sub 1/2} = 32 m) as a source for observable gamma-rays from novae. We have performed several complementary experiments dedicated to improving our knowledge of the {sup 33}S(p,{gamma}){sup 34}Cl rate, using both indirect methods (measurement of the {sup 34}S({sup 3}He,t){sup 34}Cl and {sup 33}S({sup 3}He,d){sup 34}Cl reactions with the Munich Q3D spectrograph) and direct methods (in normal kinematics at CENPA, University of Washington, and in inverse kinematics with the DRAGON recoil mass separator at TRIUMF). Our results will be used with nova models to facilitate comparisons of model predictions with present and future nova observables.« less

  13. Photoelectrical properties of sprayed In2-2xAl2xS3- 3yO3y alloys

    NASA Astrophysics Data System (ADS)

    Bhira, L.; Belgacem, S.; Bernede, J. C.

    2002-11-01

    In2-2xAl2xS3-3yO3y alloys have been prepared on Pyrextrademark glass substrates by the spray pyrolysis technique. The shape of the photoconductivity spectrums Iph (hnu) and the variations Iph (f ) and Iph (V) allow us to understand the conduction mechanism and the photocarriers' recombination. For low compositions (xless-than-or-equal0.2), Iph)(V parabolic variation shows that this conduction is limited by the space charge zone in accordance with Child's law (Iph[is proportional to]V2) [N. F. Mott and R. W. Gurney, Electronics Processes in Ionic Crystals (Oxford, New York, 1940), p. 463]. The exploitation of such variation shows that the density of the trap centers increases with the composition. For x[greater-than-or-equal, slanted]0.4, the electrical conduction instead follows Ohm's law. In the same way, the analysis of an extension of Devore's model [Phys. Rev. 102, 86 (1956)] as (Iph)hnu2 versus photon energy hnu shows an increase of the band gap energy Eg according to a parabolic profile. On the other hand, for low compositions (x=0,0.05,0.1,0.2), the conductivity study as a function of the temperature presents a deviation to Arrhenius's law in the intermediate temperature domain ranging from 80 to 330 K. Moreover, in this domain, the study of the activation energy Ea)(T according to Werner's model [Solid State Phenom. 37, 214 (1994)] supposing potential fluctuations at the grain boundaries yields the values of the barrier high phib and the standard deviation sigma][phi. From these results, we see that Eg increased versus x and that the electrical properties are essentially preserved for low aluminum concentration films. This may be due to a minor presence of an Al2O3 phase for such deposits.

  14. In Vivo Photo-Cross-Linking to Study T3S Interactions Demonstrated Using the Yersinia pestis T3S System.

    PubMed

    Henderson, Thomas A; Nilles, Matthew L

    2017-01-01

    Cross-linking of proteins is effective in determining protein-protein interactions. The use of photo-cross-linkers was developed to study protein interactions in several manners. One method involved the incorporation of photo-activatable cross-linking groups into chemically synthesized peptides. A second approach relies on incorporation of photo-activatable cross-linking groups into proteins using tRNAs with chemically bound photo-activatable amino acids with suppressor tRNAs translational systems to incorporate the tags into specific sites. A third system was made possible by the development of photoreactive amino acids that use the normal cellular tRNAs and aminoacyl tRNA synthetases. In this method, the third system is used to demonstrate its utility for the study of T3S system interactions. This method describes how two photo-activatable amino acids, photo-methionine and photo-leucine, that use the normal cellular machinery are incorporated into Yersinia pestis and used to study interactions in the T3S system. To demonstrate the system, the method was used to cross-link the T3S regulatory proteins LcrG and LcrV.

  15. STS-117 S3 and S4 Trusses in the Space Shuttle Atlantis Cargo Bay

    NASA Technical Reports Server (NTRS)

    2007-01-01

    This nadir view of the STS-117 mission Space Shuttle Atlantis, taken by the Expedition 15 crew aboard the International Space Station (ISS), occurred just before the two spacecraft linked up in Earth orbit. Berthed in the cargo bay are the 17.8 ton second and third (S3 and S4) truss segments ready for installment. STS-117 mission objectives included the addition of S3 and S4 with Photovoltaic Radiator (PVR), the deployment of the third set of solar arrays, and the retraction of the P4 starboard solar array wing and one radiator.

  16. Three-Dimensionally Hierarchical Ni/Ni3S2/S Cathode for Lithium-Sulfur Battery.

    PubMed

    Li, Zhe; Zhang, Shiguo; Zhang, Jiaheng; Xu, Miao; Tatara, Ryoichi; Dokko, Kaoru; Watanabe, Masayoshi

    2017-11-08

    Lithium-sulfur (Li-S) batteries have attracted interest as a promising energy-storage technology due to their overwhelming advantages such as high energy density and low cost. However, their commercial success is impeded by deterioration of sulfur utilization, significant capacity fade, and poor cycle life, which are principally originated from the severe shuttle effect in relation to the dissolution and migration of lithium polysulfides. Herein, we proposed an effective and facile strategy to anchor the polysulfides and improve sulfur loading by constructing a three-dimensionally hierarchical Ni/Ni 3 S 2 /S cathode. This self-supported hybrid architecture is sequentially fabricated by the partial sulfurization of Ni foam by a mild hydrothermal process, followed by physical loading of elemental sulfur. The incorporation of Ni 3 S 2 , with high electronic conductivity and strong polysulfide adsorption capability, can not only empower the cathode to alleviate the shuttle effect, but also afford a favorable electrochemical environment with lower interfacial resistance, which could facilitate the redox kinetics of the anchored polysulfides. Consequently, the obtained Ni/Ni 3 S 2 /S cathode with a sulfur loading of ∼4.0 mg/cm 2 demonstrated excellent electrochemical characteristics. For example, at high current density of 4 mA/cm 2 , this thick cathode demonstrated a discharge capacity of 441 mAh/g at the 150th cycle.

  17. The Rapid Response Radiation Survey (R3S) Mission Using the HISat Conformal Satellite Architecture

    NASA Technical Reports Server (NTRS)

    Miller, Nathanael

    2015-01-01

    The Rapid Response Radiation Survey (R3S) experiment, designed as a quick turnaround mission to make radiation measurements in LEO, will fly as a hosted payload in partnership with NovaWurks using their Hyper-integrated Satlet (HiSat) architecture. The need for the mission arises as the Nowcast of Atmospheric Ionization Radiation for Aviation Safety (NAIRAS) model moves from a research effort into an operational radiation assessment tool. The data collected by R3S, in addition to the complementary data from a NASA Langley Research Center (LaRC) atmospheric balloon mission entitled Radiation Dosimetry Experiment (RaDX), will validate exposure prediction capabilities of NAIRAS. This paper discusses the development of the R3S experiment as made possible by use of the HiSat architecture. The system design and operational modes of the experiment are described, as well as the experiment interfaces to the HiSat satellite via the user defined adapter (UDA) provided by NovaWurks. This paper outlines the steps taken by the project to execute the R3S mission in the 4 months of design, build, and test. Finally, description of the engineering process is provided, including the use of facilitated rapid/concurrent engineering sessions, the associated documentation, and the review process employed.

  18. Structural model of homogeneous As–S glasses derived from Raman spectroscopy and high-resolution XPS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Golovchak, R.; Shpotyuk, O.; Mccloy, J. S.

    2010-11-28

    The structure of homogeneous bulk As x S 100- x (25 ≤ x ≤ 42) glasses, prepared by the conventional rocking–melting–quenching method, was investigated using high-resolution X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. It is shown that the main building blocks of their glass networks are regular AsS 3/2 pyramids and sulfur chains. In the S-rich domain, the existence of quasi-tetrahedral (QT) S = As(S 1/2) 3 units is deduced from XPS data, but with a concentration not exceeding ~3–5% of total atomic sites. Therefore, QT units do not appear as primary building blocks of the glass backbone in thesemore » materials, and an optimally-constrained network may not be an appropriate description for glasses when x < 40. Finally, it is shown that, in contrast to Se-based glasses, the ‘chain-crossing’ model is only partially applicable to sulfide glasses.« less

  19. A Quantitative Evaluation of SCEC Community Velocity Model Version 3.0

    NASA Astrophysics Data System (ADS)

    Chen, P.; Zhao, L.; Jordan, T. H.

    2003-12-01

    We present a systematic methodology for evaluating and improving 3D seismic velocity models using broadband waveform data from regional earthquakes. The operator that maps a synthetic waveform into an observed waveform is expressed in the Rytov form D(ω ) = {exp}[{i} ω δ τ {p}(ω ) - ω δ τ {q}(ω )]. We measure the phase delay time δ τ p(ω ) and the amplitude reduction time δ τ q(ω ) as a function of frequency ω using Gee & Jordan's [1992] isolation-filter technique, and we correct the data for frequency-dependent interference and frequency-independent source statics. We have applied this procedure to a set of small events in Southern California. Synthetic seismograms were computed using three types of velocity models: the 1D Standard Southern California Crustal Model (SoCaL) [Dreger & Helmberger, 1993], the 3D SCEC Community Velocity Model, Version 3.0 (CVM3.0) [Magistrale et al., 2000], and a set of path-averaged 1D models (A1D) extracted from CVM3.0 by horizontally averaging wave slownesses along source-receiver paths. The 3D synthetics were computed using K. Olsen's finite difference code. More than 1000 measurements were made on both P and S waveforms at frequencies ranging from 0.2 to 1 Hz. Overall, the 3D model provided a substantially better fit to the waveform data than either laterally homogeneous or path-dependent 1D models. Relative to SoCaL, CVM3.0 provided a variance reduction of about 64% in δ τ p, and 41% in δ τ q. Relative to A1D, the variance reduction is about 46% and 20%, respectively. The same set of measurements can be employed to invert for both seismic source properties and seismic velocity structures. Fully numerical methods are being developed to compute the Fréchet kernels for these measurements [L. Zhao et. al., this meeting]. This methodology thus provides a unified framework for regional studies of seismic sources and Earth structure in Southern California and elsewhere.

  20. Numerical Validation of the N3S-NATUR Code for Supersonic Nozzles and Afterbody Flows

    NASA Astrophysics Data System (ADS)

    Perrot, Y.; Hadjadj, A.

    2005-02-01

    A numerical investigation was conducted to assess the ability of the three-dimensional Navier-Stokes solver, N3S-Natur [1], using the k-ω SST turbulence model when computing nozzle-afterbody flows with propulsive jets. Three nozzle configurations were selected as test cases for the computational method: the first is the ONERA TIC nozzle, the second is an axisymmetric boat-tailed afterbody configuration and the third is a fully 3D transonic nozzle. In most situations, internal and external flow-field regions are modeled. The obtained results are carefully analyzed and compared to the experimental data. A three-dimensional computation was done to make evidence of 3D phenomena which are not negligible. A particular attention was payed to the appearance of a recirculation zone on the afterbody.

  1. High current density 2D/3D MoS2/GaN Esaki tunnel diodes

    NASA Astrophysics Data System (ADS)

    Krishnamoorthy, Sriram; Lee, Edwin W.; Lee, Choong Hee; Zhang, Yuewei; McCulloch, William D.; Johnson, Jared M.; Hwang, Jinwoo; Wu, Yiying; Rajan, Siddharth

    2016-10-01

    The integration of two-dimensional materials such as transition metal dichalcogenides with bulk semiconductors offer interesting opportunities for 2D/3D heterojunction-based device structures without any constraints of lattice matching. By exploiting the favorable band alignment at the GaN/MoS2 heterojunction, an Esaki interband tunnel diode is demonstrated by transferring large area Nb-doped, p-type MoS2 onto heavily n-doped GaN. A peak current density of 446 A/cm2 with repeatable room temperature negative differential resistance, peak to valley current ratio of 1.2, and minimal hysteresis was measured in the MoS2/GaN non-epitaxial tunnel diode. A high current density of 1 kA/cm2 was measured in the Zener mode (reverse bias) at -1 V bias. The GaN/MoS2 tunnel junction was also modeled by treating MoS2 as a bulk semiconductor, and the electrostatics at the 2D/3D interface was found to be crucial in explaining the experimentally observed device characteristics.

  2. Rapid Prototyping 3D Model in Treatment of Pediatric Hip Dysplasia: A Case Report

    PubMed Central

    Holt, Andrew M.; Starosolski, Zbigniew; Kan, J. Herman

    2017-01-01

    Abstract Background: Rapid prototyping is an emerging technology that integrates common medical imaging with specialized production mechanisms to create detailed anatomic replicas. 3D-printed models of musculoskeletal anatomy have already proven useful in orthopedics and their applications continue to expand. Case Description: We present the case of a 10 year-old female with Down syndrome and left acetabular dysplasia and chronic hip instability who underwent periacetabular osteotomy. A rapid prototyping 3D model was created to better understand the anatomy, counsel the family about the problem and the surgical procedure, as well as guide surgical technique. The intricate detail and size match of the model with the patient’s anatomy offered unparalleled, hands-on experience with the patient’s anatomy pre-operatively and improved surgical precision. Conclusions: Our experience with rapid prototyping confirmed its ability to enhance orthopedic care by improving the surgeon’s ability to understand complex anatomy. Additionally, we report a new application utilizing intraoperative fluoroscopic comparison of the model and patient to ensure surgical precision and minimize the risk of complications. This technique could be used in other challenging cases. The increasing availability of rapid prototyping welcomes further use in all areas of orthopedics. PMID:28852351

  3. S3DB core: a framework for RDF generation and management in bioinformatics infrastructures

    PubMed Central

    2010-01-01

    Background Biomedical research is set to greatly benefit from the use of semantic web technologies in the design of computational infrastructure. However, beyond well defined research initiatives, substantial issues of data heterogeneity, source distribution, and privacy currently stand in the way towards the personalization of Medicine. Results A computational framework for bioinformatic infrastructure was designed to deal with the heterogeneous data sources and the sensitive mixture of public and private data that characterizes the biomedical domain. This framework consists of a logical model build with semantic web tools, coupled with a Markov process that propagates user operator states. An accompanying open source prototype was developed to meet a series of applications that range from collaborative multi-institution data acquisition efforts to data analysis applications that need to quickly traverse complex data structures. This report describes the two abstractions underlying the S3DB-based infrastructure, logical and numerical, and discusses its generality beyond the immediate confines of existing implementations. Conclusions The emergence of the "web as a computer" requires a formal model for the different functionalities involved in reading and writing to it. The S3DB core model proposed was found to address the design criteria of biomedical computational infrastructure, such as those supporting large scale multi-investigator research, clinical trials, and molecular epidemiology. PMID:20646315

  4. H.E.S.S. and ATOM detection of renewed activity of the FSRQ 3C 279

    NASA Astrophysics Data System (ADS)

    De Naurois, Mathieu

    2018-06-01

    H.E.S.S. observations at very-high energies (E > 100 GeV) of the flat spectrum radio quasar 3C 279 (reshift z=0.536, R.A.: 12h56m11.1665s, Dec: -05d47m21.523s (J2000)) have been carried out over the last 3 nights on the basis of another strong flare in the high-energy gamma-ray band (E > 100 MeV) detected with Fermi-LAT.

  5. Acoustic anisotropy of acoustooptic TI(3)AsS(4) crystals.

    PubMed

    Martynyuk-Lototska, Iryna; Kushnirevych, Marian; Zapeka, Bohdan; Krupych, Oleh; Kokhan, Oleksandr; Pogodin, Artem; Peresh, Eugen; Mys, Oksana; Vlokh, Rostyslav

    2015-02-20

    We present comprehensive experimental measurements and analysis of anisotropy of the acoustic wave velocities for TI(3)AsS(4) crystals, including the obliquity and nonorthogonality of the acoustic waves, and the deviations from purely longitudinal and transverse polarization types. We have found that the crystals under analysis are characterized by rather low transverse wave velocities v(23) and v(32), which are both equal to 630 m/s. It is shown that the efficiency of acoustooptic (AO) interactions in TI(3)AsS(4) can be notably increased when providing anisotropic interaction with the slowest transverse acoustic wave. Under the previously mentioned conditions, the AO figure-of-merit can be estimated to be extremely high, i.e., approximately 3×10(-12) s(3)/kg.

  6. Multi-view and 3D deformable part models.

    PubMed

    Pepik, Bojan; Stark, Michael; Gehler, Peter; Schiele, Bernt

    2015-11-01

    As objects are inherently 3D, they have been modeled in 3D in the early days of computer vision. Due to the ambiguities arising from mapping 2D features to 3D models, 3D object representations have been neglected and 2D feature-based models are the predominant paradigm in object detection nowadays. While such models have achieved outstanding bounding box detection performance, they come with limited expressiveness, as they are clearly limited in their capability of reasoning about 3D shape or viewpoints. In this work, we bring the worlds of 3D and 2D object representations closer, by building an object detector which leverages the expressive power of 3D object representations while at the same time can be robustly matched to image evidence. To that end, we gradually extend the successful deformable part model [1] to include viewpoint information and part-level 3D geometry information, resulting in several different models with different level of expressiveness. We end up with a 3D object model, consisting of multiple object parts represented in 3D and a continuous appearance model. We experimentally verify that our models, while providing richer object hypotheses than the 2D object models, provide consistently better joint object localization and viewpoint estimation than the state-of-the-art multi-view and 3D object detectors on various benchmarks (KITTI [2] , 3D object classes [3] , Pascal3D+ [4] , Pascal VOC 2007 [5] , EPFL multi-view cars[6] ).

  7. First-principles study of low Miller index Ni3S2 surfaces in hydrotreating conditions.

    PubMed

    Aray, Yosslen; Vega, David; Rodriguez, Jesus; Vidal, Alba B; Grillo, Maria Elena; Coll, Santiago

    2009-03-12

    Density functional theory (DFT) calculations combined with surface thermodynamic arguments and the Gibbs-Curie-Wulff equilibrium morphology formalism have been employed to explore the effect of the reaction conditions, temperature (T), and gas-phase partial pressures (PH2 and PH2S) on the stability of nickel sulfide (Ni3S2) surfaces. Furthermore, the strength and nature of chemical bonds for selected Ni3S2 surface cuts were investigated with the quantum theory of atoms in molecules methodology. A particular analysis of the electrostatic potential within this theoretical framework is performed to study the potential activity of nickel sulfide nanoparticles as hydrodesulfurization (HDS) catalysts. The calculated thermodynamic surface stabilities and the resulting equilibrium morphology model suggest that unsupported Ni3S2 nanoparticles mainly expose (111) and (111) type surface faces in HDS conditions. Analysis of the electrostatic potential mapped onto a selected electron density isocontour (0.001 au) on those expose surface reveals a poor potential reactivity toward electron-donating reagents (i.e., low Lewis acidity). Consequently, a very low attraction between coordinatively unsaturated active sites (Lewis sites) exposed at the catalytic particles and the S atoms coming from reagent polluting molecules does inactive these kinds of particles for HDS.

  8. 3D modelling of slow landslides: the Portalet case study (Spain)

    NASA Astrophysics Data System (ADS)

    Fernandez-Merodo, Jose Antonio; Bru, Guadalupe; García-Davalillo, Juan Carlos; Herrera, Gerardo; Fernandez, Jose

    2014-05-01

    Slow landslide deformation evolution is generally cast using 1D or 2D numerical models. This paper aims to explore 3D effects on the kinematic behavior of a real landslide, the Portalet landslide (Central Spanish Pyrenees). This is a very well characterized and documented active paleo-landslide that has been reactivated by the construction of a parking area at the toe of the slope. The proposed 3D model is based on a time dependent hydro-mechanical finite element formulation that takes into account i) groundwater changes due to daily rainfall records and ii) viscous behavior and delayed creep deformation through a viscoplastic constitutive model based on Perzyna's theory. The model reproduces the nearly constant strain rate (secondary creep) and the acceleration/deceleration of the moving mass due to hydrological changes. Furthermore, the model is a able to catch the superficial 3D kinematics revealed by advanced in-situ monitoring like ground based SAR or DInSAR processing of satellite SAR images. References [1] Herrera G, Fernández-Merodo JA, Mulas J, Pastor M, Luzi G, Monserrat O (2009) A landslide forecasting model using ground based SAR data: The Portalet case study. Engineering Geology 105: 220-230 [2] Fernández-Merodo JA, Herrera G, Mira P, Mulas J, Pastor M, Noferini L, Me-catti D and Luzi G (2008). Modelling the Portalet landslide mobility (Formigal, Spain). iEMSs 2008: International Congress on Environmental Modelling and Software. Sànchez-Marrè M, Béjar J, Comas J, Rizzoli A and Guariso G (Eds.) International Environmental Modelling and Software Society (iEMSs) [3] Fernández-Merodo JA, García-Davalillo JC, Herrera G, Mira P, Pastor M (2012). 2D visco-plastic finite element modelling of slow landslides: the Portalet case study (Spain). Landslides, DOI: 10.1007/s10346-012-0370-4

  9. Protocols for Molecular Modeling with Rosetta3 and RosettaScripts

    PubMed Central

    2016-01-01

    Previously, we published an article providing an overview of the Rosetta suite of biomacromolecular modeling software and a series of step-by-step tutorials [Kaufmann, K. W., et al. (2010) Biochemistry 49, 2987–2998]. The overwhelming positive response to this publication we received motivates us to here share the next iteration of these tutorials that feature de novo folding, comparative modeling, loop construction, protein docking, small molecule docking, and protein design. This updated and expanded set of tutorials is needed, as since 2010 Rosetta has been fully redesigned into an object-oriented protein modeling program Rosetta3. Notable improvements include a substantially improved energy function, an XML-like language termed “RosettaScripts” for flexibly specifying modeling task, new analysis tools, the addition of the TopologyBroker to control conformational sampling, and support for multiple templates in comparative modeling. Rosetta’s ability to model systems with symmetric proteins, membrane proteins, noncanonical amino acids, and RNA has also been greatly expanded and improved. PMID:27490953

  10. Organizational models of educational technology in U.S. and Canadian medical schools.

    PubMed

    Souza, Kevin H; Kamin, Carol; O'Sullivan, Patricia; Moses, Anna; Heestand, Diane

    2008-07-01

    To examine the organizational structure of educational technology units within U.S. and Canadian medical schools in order to (1) identify organization models that support educational technology, (2) describe key attributes of these models, and (3) discuss the strengths and challenges associated with these models. The authors distributed a survey to 88 schools that had previously provided information on their educational technology services and infrastructure. The authors developed the survey through a series of pilots and, then, from the data for each respondent school, created concept maps, which were used to identify organizational models. The authors conducted analyses to determine differences among models. The authors coded the comments about organizational models and identified themes. The authors received adequate data for analysis from 61 schools (69%). Four models for educational technology organizations emerged: (1) centralized units located in the school of medicine, (2) centralized units located at the health science center, (3) centralized units at the comprehensive university, and (4) no centralized unit (Dispersed Model). The majority (75%) of schools relied on some type of centralized organization. Whereas few organization attributes proved to be statistically significant, the centralized models have more resources devoted to educational technology and a closer alignment with the academic mission than the Dispersed Model. Medical schools primarily use central models. The authors recommend that schools structuring their educational technology resources consider exploration of a central model because of its focused use of resources to improve teaching and learning.

  11. A geometrically controlled rigidity transition in a model for confluent 3D tissues

    NASA Astrophysics Data System (ADS)

    Merkel, Matthias; Manning, M. Lisa

    2018-02-01

    The origin of rigidity in disordered materials is an outstanding open problem in statistical physics. Previously, a class of 2D cellular models has been shown to undergo a rigidity transition controlled by a mechanical parameter that specifies cell shapes. Here, we generalize this model to 3D and find a rigidity transition that is similarly controlled by the preferred surface area S 0: the model is solid-like below a dimensionless surface area of {s}0\\equiv {S}0/{\\bar{V}}2/3≈ 5.413 with \\bar{V} being the average cell volume, and fluid-like above this value. We demonstrate that, unlike jamming in soft spheres, residual stresses are necessary to create rigidity. These stresses occur precisely when cells are unable to obtain their desired geometry, and we conjecture that there is a well-defined minimal surface area possible for disordered cellular structures. We show that the behavior of this minimal surface induces a linear scaling of the shear modulus with the control parameter at the transition point, which is different from the scaling observed in particulate matter. The existence of such a minimal surface may be relevant for biological tissues and foams, and helps explain why cell shapes are a good structural order parameter for rigidity transitions in biological tissues.

  12. The 5HT(1A) receptor ligand, S15535, antagonises G-protein activation: a [35S]GTPgammaS and [3H]S15535 autoradiography study.

    PubMed

    Newman-Tancredi, A; Rivet, J; Chaput, C; Touzard, M; Verrièle, L; Millan, M J

    1999-11-19

    4-(Benzodioxan-5-yl)1-(indan-2-yl)piperazine (S15535) is a highly selective ligand at 5-HT(1A) receptors. The present study compared its autoradiographic labelling of rat brain sections with its functional actions, visualised by guanylyl-5'-[gamma-thio]-triphosphate ([35S]GTPgammaS) autoradiography, which affords a measure of G-protein activation. [3H]S15535 binding was highest in hippocampus, frontal cortex, entorhinal cortex, lateral septum, interpeduncular nucleus and dorsal raphe, consistent with specific labelling of 5-HT(1A) receptors. In functional studies, S15535 (10 microM) did not markedly stimulate G-protein activation in any brain region, but abolished the activation induced by the selective 5-HT(1A) agonist, (+)-8-hydroxy-dipropyl-aminotetralin ((+)-8-OH-DPAT, 1 microM), in structures enriched in [3H]S15535 labelling. S15535 did not block 5-HT-stimulated activation in caudate nucleus or substantia nigra, regions where (+)-8-OH-DPAT was ineffective and [3H]S15535 binding was absent. Interestingly, S15535 attenuated (+)-8-OH-DPAT and 5-HT-stimulated G-protein activation in dorsal raphe, a region in which S15535 is known to exhibit agonist properties in vivo [Lejeune, F., Millan, M.J., 1998. Induction of burst firing in ventral tegmental area dopaminergic neurons by activation of serotonin (5-HT)(1A) receptors: WAY100,635-reversible actions of the highly selective ligands, flesinoxan and S15535. Synapse 30, 172-180.]. The present data show that (i) [3H]S15535 labels pre- and post-synaptic populations of 5-HT(1A) sites in rat brain sections, (ii) S15535 exhibits antagonist properties at post-synaptic 5-HT(1A) receptors in corticolimbic regions, and (iii) S15535 also attenuates agonist-stimulated G-protein activation at raphe-localised 5-HT(1A) receptors.

  13. A MULTI-WAVELENGTH 3D MODEL OF BD+30°3639

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Freeman, M. J.; Kastner, Joel H.

    2016-10-01

    We present a 3D multi-wavelength reconstruction of BD+30°3639, one of the best-studied planetary nebulae in the solar neighborhood. BD+30°3639, which hosts a [WR]-type central star, has been imaged at wavelength regimes that span the electromagnetic spectrum, from radio to X-rays. We have used the astrophysical modeling software SHAPE to construct a 3D morpho-kinematic model of BD+30°3639. This reconstruction represents the most complete 3D model of a PN to date from the standpoint of the incorporation of multi-wavelength data. Based on previously published kinematic data in optical emission lines and in lines of CO (radio) and H{sub 2} (near-IR), we weremore » able to reconstruct BD+30's basic velocity components assuming a set of homologous velocity expansion laws combined with collimated flows along the major axis of the nebula. We confirm that the CO “bullets” in the PN lie along an axis that is slightly misaligned with respect to the major axis of the optical nebula, and that these bullets are likely responsible for the disrupted structures of the ionized and H{sub 2}-emitting shells within BD+30. Given the relative geometries and thus dynamical ages of BD+30's main structural components, it is furthermore possible that the same jets that ejected the CO bullets are responsible for the generation of the X-ray-emitting hot bubble within the PN. Comparison of alternative viewing geometries for our 3D reconstruction of BD+30°3639 with imagery of NGC 40 and NGC 6720 suggests a common evolutionary path for these nebulae.« less

  14. Visiting EPA Region 3s Offices

    EPA Pesticide Factsheets

    Information on visiting EPA Region 3s offices in Philadelphia, Pa., Annapolis, Md., Fort Meade, Md. and Wheeling, W. Va. including the address, building access, public transportation and driving directions.

  15. The Kynurenine Pathway Modulates Neurodegeneration in a Drosophila Model of Huntington’s Disease

    PubMed Central

    Campesan, Susanna; Green, Edward W.; Breda, Carlo; Sathyasaikumar, Korrapati V.; Muchowski, Paul J.; Schwarcz, Robert; Kyriacou, Charalambos P.; Giorgini, Flaviano

    2014-01-01

    Summary Neuroactive metabolites of the kynurenine pathway (KP) of tryptophan degradation have been implicated in the pathophysiology of neurodegenerative disorders, including Huntington’s disease (HD) [1]. A central hallmark of HD is neurodegeneration caused by a polyglutamine expansion in the huntingtin (htt) protein [2]. Here we exploit a transgenic Drosophila melanogaster model of HD to interrogate the therapeutic potential of KP manipulation. We observe that genetic and pharmacological inhibition of kynurenine 3-monooxygenase (KMO) increases levels of the neuroprotective metabolite kynurenic acid (KYNA) relative to the neurotoxic metabolite 3-hydroxykynurenine (3-HK) and ameliorates neurodegeneration. We also find that genetic inhibition of tryptophan 2,3-dioxygenase (TDO), the first and rate-limiting step in the pathway, leads to a similar neuroprotective shift toward KYNA synthesis. Importantly, we demonstrate that the feeding of KYNA and 3-HK to HD model flies directly modulates neurodegeneration, underscoring the causative nature of these metabolites. This study provides the first genetic evidence that inhibition of KMO and TDO activity protects against neurodegenerative disease in an animal model, indicating that strategies targeted at two key points within the KP may have therapeutic relevance in HD, and possibly other neurodegenerative disorders. PMID:21636279

  16. Incorporating 3-dimensional models in online articles.

    PubMed

    Cevidanes, Lucia H S; Ruellas, Antonio C O; Jomier, Julien; Nguyen, Tung; Pieper, Steve; Budin, Francois; Styner, Martin; Paniagua, Beatriz

    2015-05-01

    The aims of this article are to introduce the capability to view and interact with 3-dimensional (3D) surface models in online publications, and to describe how to prepare surface models for such online 3D visualizations. Three-dimensional image analysis methods include image acquisition, construction of surface models, registration in a common coordinate system, visualization of overlays, and quantification of changes. Cone-beam computed tomography scans were acquired as volumetric images that can be visualized as 3D projected images or used to construct polygonal meshes or surfaces of specific anatomic structures of interest. The anatomic structures of interest in the scans can be labeled with color (3D volumetric label maps), and then the scans are registered in a common coordinate system using a target region as the reference. The registered 3D volumetric label maps can be saved in .obj, .ply, .stl, or .vtk file formats and used for overlays, quantification of differences in each of the 3 planes of space, or color-coded graphic displays of 3D surface distances. All registered 3D surface models in this study were saved in .vtk file format and loaded in the Elsevier 3D viewer. In this study, we describe possible ways to visualize the surface models constructed from cone-beam computed tomography images using 2D and 3D figures. The 3D surface models are available in the article's online version for viewing and downloading using the reader's software of choice. These 3D graphic displays are represented in the print version as 2D snapshots. Overlays and color-coded distance maps can be displayed using the reader's software of choice, allowing graphic assessment of the location and direction of changes or morphologic differences relative to the structure of reference. The interpretation of 3D overlays and quantitative color-coded maps requires basic knowledge of 3D image analysis. When submitting manuscripts, authors can now upload 3D models that will allow readers to

  17. Impaired Attention in the 3xTgAD Model of Alzheimer’s Disease Assessed Using a Translational Touchscreen Method for Mice: Rescue by Donepezil (Aricept)

    PubMed Central

    Romberg, Carola; Mattson, Mark P.; Mughal, Mohamed R.; Bussey, Timothy J.; Saksida, Lisa M.

    2011-01-01

    Several mouse models of Alzheimer’s Disease (AD) with abundant β-amyloid and/or aberrantly phosphorylated tau develop memory impairments. However, multiple non-mnemonic cognitive domains such as attention and executive control are also compromised early in AD individuals. Currently, it is unclear whether mutations in the β-amyloid precursor protein (APP) and tau are sufficient to cause similar, AD-like attention deficits in mouse models of the disease. To address this question, we tested 3xTgAD mice (which express APPswe, PS1M146V and tauP301L mutations) and wild type control mice on a newly-developed touchscreen-based 5-choice serial reaction time test of attention and response control. The 3xTgAD mice attended less accurately to short, spatially unpredictable stimuli when the attentional demand of the task was high, and also showed a general tendency to make more perseverative responses than wild type mice. The attentional impairment of 3xTgAD mice was comparable to that of AD patients in two aspects; first, although 3xTgAD mice initially responded as accurately as wild type mice, they subsequently failed to sustain their attention over the duration of the task; second, the ability to sustain attention was enhanced by the cholinesterase inhibitor donepezil (Aricept). These findings demonstrate that familial AD mutations not only affect memory, but also cause significant impairments in attention, a cognitive domain supported by the prefrontal cortex and its afferents. Because attention deficits are likely to affect memory encoding and other cognitive abilities, our findings have important consequences for the assessment of disease mechanisms and therapeutics in animal models of AD. PMID:21368062

  18. A white-box model of S-shaped and double S-shaped single-species population growth

    PubMed Central

    Kalmykov, Lev V.

    2015-01-01

    Complex systems may be mechanistically modelled by white-box modeling with using logical deterministic individual-based cellular automata. Mathematical models of complex systems are of three types: black-box (phenomenological), white-box (mechanistic, based on the first principles) and grey-box (mixtures of phenomenological and mechanistic models). Most basic ecological models are of black-box type, including Malthusian, Verhulst, Lotka–Volterra models. In black-box models, the individual-based (mechanistic) mechanisms of population dynamics remain hidden. Here we mechanistically model the S-shaped and double S-shaped population growth of vegetatively propagated rhizomatous lawn grasses. Using purely logical deterministic individual-based cellular automata we create a white-box model. From a general physical standpoint, the vegetative propagation of plants is an analogue of excitation propagation in excitable media. Using the Monte Carlo method, we investigate a role of different initial positioning of an individual in the habitat. We have investigated mechanisms of the single-species population growth limited by habitat size, intraspecific competition, regeneration time and fecundity of individuals in two types of boundary conditions and at two types of fecundity. Besides that, we have compared the S-shaped and J-shaped population growth. We consider this white-box modeling approach as a method of artificial intelligence which works as automatic hyper-logical inference from the first principles of the studied subject. This approach is perspective for direct mechanistic insights into nature of any complex systems. PMID:26038717

  19. 2020s scenario analysis of nutrient load in the Mekong River Basin using a distributed hydrological model.

    PubMed

    Yoshimura, Chihiro; Zhou, Maichun; Kiem, Anthony S; Fukami, Kazuhiko; Prasantha, Hapuarachchi H A; Ishidaira, Hiroshi; Takeuchi, Kuniyoshi

    2009-10-01

    A distributed hydrological model, YHyM, was integrated with the export coefficient concept and applied to simulate the nutrient load in the Mekong River Basin. In the validation period (1992-1999), Nash-Sutcliffe efficiency was 76.4% for discharge, 65.9% for total nitrogen, and 45.3% for total phosphorus at Khong Chiam. Using the model, scenario analysis was then performed for the 2020s taking into account major anthropogenic factors: climate change, population, land cover, fertilizer use, and industrial waste water. The results show that the load at Kompong Cham in 2020s is 6.3 x 10(4)tN a(-1) (+13.0% compared to 1990s) and 4.3 x 10(3)tP a(-1) (+24.7%). Overall, the noticeable nutrient sources are cropland in the middle region and urban load in the lower region. The installation of waste water treatment plants in urban areas possibly cut 60.6%N and 19.9%P of the estimated increase in the case without any treatment.

  20. Solution-Processed hybrid Sb2 S3 planar heterojunction solar cell

    NASA Astrophysics Data System (ADS)

    Huang, Wenxiao; Borazan, Ismail; Carroll, David

    Thin-film solar cells based on inorganic absorbers permit a high efficiency and stability. Among or those absorber candidates, recently Sb2S3 has attracted extensive attention because of its suitable band gap (1.5eV ~1.7 eV) , strong optical absorption, low-cost and earth-abundant constituents. Currently high-efficiency Sb2S3 solar cells have absorber layer deposited on nanostructured TiO2 electrodes in combination with organic hole transport material (HTM) on top. However it's challenging to fill the nanostructured TiO2 layer with Sb2S3 and subsequently by HTM, this leads to uncovered surface permits charge recombination. And the existing of Sb2S3/TiO2/HTM triple interface will enhance the recombination due to the surface trap state. Therefore, a planar junction cell would not only have simpler structure with less steps to fabricate but also ideally also have a higher open circuit voltage because of less interface carrier recombination. By far there is limited research focusing on planar Sb2S3 solar cell, so the feasibility is still unclear. Here, we developed a low-toxic solution method to fabricate Sb2S3 thin film solar cell, then we studied the morphology of the Sb2S3 layer and its impact to the device performance. The best device with a structure of FTO/TiO2/Sb2S3/P3HT/Ag has PCE over 5% which is similar or higher than yet the best nanostructure devices with the same HTM. Furthermore, based on solution engineering and surface modification, we improved the Sb2S3 film quality and achieved a record PCE. .

  1. The SU(3)/Z3 QCD(adj) deconfinement transition via the gauge theory/"affine" XY-model duality

    NASA Astrophysics Data System (ADS)

    Anber, Mohamed M.; Collier, Scott; Poppitz, Erich

    2013-01-01

    Earlier, two of us and M. Ünsal [1] showed that a class of 4d gauge theories, when compactified on a small spatial circle of size L and considered at temperatures β-1 near the deconfinement transition, are dual to 2d "affine" XY-spin models. We exploit this duality to study the deconfinement phase transition in SU(3)/{{{Z}}_3} gauge theories with n f > 1 massless adjoint Weyl fermions, QCD(adj) on {{{R}}^2}× {S}_{β}^1× {S}_L^1 . The dual "affine" XY-model describes two "spins" — compact scalars taking values in the SU(3) root lattice. The spins couple via nearest-neighbor interactions and are subject to an "external field" perturbation preserving the topological {Z}_3^t and a discrete {Z}_3^{{{d_{\\upchi}}}} subgroup of the anomaly-free chiral symmetry of the 4d gauge theory. The equivalent Coulomb gas representation of the theory exhibits electric-magnetic duality, which is also a high-/low-temperature duality. A renormalization group analysis suggests — but is not convincing, due to the onset of strong coupling — that the self-dual point is a fixed point, implying a continuous deconfinement transition. Here, we study the nature of the transition via Monte Carlo simulations. The {Z}_3^t× {Z}_3^{{{d_{\\upchi}}}} order parameter, its susceptibility, the vortex density, the energy per spin, and the specific heat are measured over a range of volumes, temperatures, and "external field" strengths (in the gauge theory, these correspond to magnetic bion fugacities). The finite-size scaling of the susceptibility and specific heat we find is characteristic of a first-order transition. Furthermore, for sufficiently large but still smaller than unity bion fugacity (as can be achieved upon an increase of the {S}_L^1 size), at the critical temperature we find two distinct peaks of the energy probability distribution, indicative of a first-order transition, as has been seen in earlier simulations of the full 4d QCD(adj) theory. We end with discussions of the global

  2. Rational synthesis of high nuclearity Mo/Fe/S clusters: the reductive coupling approach in the convenient synthesis of (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et, (n)Pr, (n)Bu] and the new [(Cl(4)-cat)(2)Mo(2)Fe(2)S(3)O(PEt(3))(3)Cl]-1/2(Fe(PEt(3))(2)(MeCN)(4)) and (Cl(4)-cat)(2)Mo(2)Fe(3)S(5)(PEt(3))(5) clusters.

    PubMed

    Han, J; Koutmos, M; Ahmad, S A; Coucouvanis, D

    2001-11-05

    A general method for the synthesis of high nuclearity Mo/Fe/S clusters is presented and involves the reductive coupling of the (Et(4)N)(2)[(Cl(4)-cat)MoOFeS(2)Cl(2)] (I) and (Et(4)N)(2)[Fe(2)S(2)Cl(4)] (II) clusters. The reaction of I and II with Fe(PR(3))(2)Cl(2) or sodium salts of noncoordinating anions such as NaPF(6) or NaBPh(4) in the presence of PR(3) (R = Et, (n)Pr, or (n)Bu) affords (Cl(4)-cat)(2)Mo(2)Fe(6)S(8)(PR(3))(6) [R = Et (IIIa), (n)Pr (IIIb), (n)Bu (IIIc)], Fe(6)S(6)(PEt(3))(4)Cl(2) (IV) and (PF(6))[Fe(6)S(8)(P(n)Pr(3))(6)] (V) as byproducts. The isolation of (Et(4)N)[Fe(PEt(3))Cl(3)] (VI), NaCl, and SPEt(3) supports a reductive coupling mechanism. Cluster IV and V also have been synthesized by the reductive self-coupling of compound II. The reductive coupling reaction between I and II by PEt(3) and NaPF(6) in a 1:1 ratio produces the (Et(4)N)(2)[(Cl(4)-cat)Mo(L)Fe(3)S(4)Cl(3)] clusters [L = MeCN (VIIa), THF (VIIb)]. The hitherto unknown [(Cl(4)-cat)(2)Mo(2)Fe(2)S(3)O(PEt(3))(3)Cl](+) cluster (VIII) has been isolated as the 2:1 salt of the (Fe(PEt(3))(2)(MeCN)(4))(2+) cation after the reductive self-coupling reaction of I in the presence of Fe(PEt(3))(2)Cl(2). Cluster VIII crystallizes in the monoclinic space group P2(1)/c with a = 11.098(3) A, b = 22.827(6) A, c = 25.855(6) A, beta = 91.680(4) degrees, and Z = 4. The formal oxidation states of metal atoms in VIII have been assigned as Mo(III), Mo(IV), Fe(II), and Fe(III) on the basis of zero-field Mössbauer spectra. The Fe(PEt(3))(2)(MeCN)(4) cation of VIII is also synthesized independently, isolated as the BPh(4)(-) salt (IX), and has been structurally characterized. The reductive coupling of compound I also affords in low yield the new (Cl(4)-cat)(2)Mo(2)Fe(3)S(5)(PEt(3))(5) cluster (X) as a byproduct. Cluster X crystallizes in the monoclinic space group P2(1)/n with a = 14.811(3) A, b = 22.188(4) A, c = 21.864(4) A, beta = 100.124(3) degrees, and Z = 4 and the structure shows very short Mo

  3. Holographic duals of 3d S-fold CFTs

    NASA Astrophysics Data System (ADS)

    Assel, Benjamin; Tomasiello, Alessandro

    2018-06-01

    We construct non-geometric AdS4 solutions of IIB string theory where the fields in overlapping patches are glued by elements of the S-duality group. We obtain them by suitable quotients of compact and non-compact geometric solutions. The quotient procedure suggests CFT duals as quiver theories with links involving the so-called T [U( N)] theory. We test the validity of the non-geometric solutions (and of our proposed holographic duality) by computing the three-sphere partition function Z of the CFTs. A first class of solutions is obtained by an S-duality quotient of Janus-type non-compact solutions and is dual to 3d N=4 SCFTs; for these we manage to compute Z of the dual CFT at finite N, and it agrees perfectly with the supergravity result in the large N limit. A second class has five-branes, it is obtained by a Möbius-like S-quotient of ordinary compact solutions and is dual to 3d N=3 SCFTs. For these, Z agrees with the supergravity result if one chooses the limit carefully so that the effect of the fivebranes does not backreact on the entire geometry. Other limits suggest the existence of IIA duals.

  4. Large birefringence and linear dichroism in TiS3 nanosheets.

    PubMed

    Papadopoulos, Nikos; Frisenda, Riccardo; Biele, Robert; Flores, Eduardo; Ares, Jose R; Sánchez, Carlos; van der Zant, Herre S J; Ferrer, Isabel J; D'Agosta, Roberto; Castellanos-Gomez, Andres

    2018-06-21

    TiS3 nanosheets have proven to be promising candidates for ultrathin optoelectronic devices due to their direct narrow band-gap and the strong light-matter interaction. In addition, the marked in-plane anisotropy of TiS3 is appealing for the fabrication of polarization sensitive optoelectronic devices. Herein, we study the optical contrast of TiS3 nanosheets of variable thickness on SiO2/Si substrates, from which we obtain the complex refractive index in the visible spectrum. We find that TiS3 exhibits very large birefringence, larger than that of well-known strong birefringent materials like TiO2 or calcite, and linear dichroism. These findings are in qualitative agreement with ab initio calculations that suggest an excitonic origin for the birefringence and linear dichroism of the material.

  5. Photocatalytic hydrogen production of the CdS/TiO2-WO3 ternary hybrid under visible light irradiation.

    PubMed

    Chen, Yi-Lin; Lo, Shang-Lien; Chang, Hsiang-Ling; Yeh, Hsiao-Mei; Sun, Liping; Oiu, Chunsheng

    2016-01-01

    An attractive and effective method for converting solar energy into clean and renewable hydrogen energy is photocatalytic water splitting over semiconductors. The study aimed at utilizing organic sacrificial agents in water, modeled by formic acid, in combination with visible light driven photocatalysts to produce hydrogen with high efficiencies. The photocatalytic hydrogen production of cadmium sulfide (CdS)/titanate nanotubes (TNTs) binary hybrid with specific CdS content was investigated. After visible light irradiation for 3 h, the hydrogen production rate of 25 wt% CdS/TNT achieved 179.35 μmol·h(-1). Thanks to the two-step process, CdS/TNTs-WO3 ternary hybrid can better promote the efficiency of water splitting compared with CdS/TNTs binary hybrid. The hydrogen production of 25 wt% CdS/TNTs-WO3 achieved 212.68 μmol·h(-1), under the same condition. Coating of platinum metal onto the WO3 could further promote the reaction. Results showed that 0.2 g 0.1 wt% Pt/WO3 + 0.2 g 25 wt% CdS/TNTs had the best hydrogen production rate of 428.43 μmol·h(-1). The resultant materials were well characterized by high-resolution transmission electron microscope, X-ray diffraction, scanning electron microscopy, and UV-Vis spectra.

  6. Verification and transfer of thermal pollution model. Volume 3: Verification of 3-dimensional rigid-lid model

    NASA Technical Reports Server (NTRS)

    Lee, S. S.; Sengupta, S.; Nwadike, E. V.; Sinha, S. K.

    1982-01-01

    The six-volume report: describes the theory of a three dimensional (3-D) mathematical thermal discharge model and a related one dimensional (1-D) model, includes model verification at two sites, and provides a separate user's manual for each model. The 3-D model has two forms: free surface and rigid lid. The former, verified at Anclote Anchorage (FL), allows a free air/water interface and is suited for significant surface wave heights compared to mean water depth; e.g., estuaries and coastal regions. The latter, verified at Lake Keowee (SC), is suited for small surface wave heights compared to depth (e.g., natural or man-made inland lakes) because surface elevation has been removed as a parameter. These models allow computation of time-dependent velocity and temperature fields for given initial conditions and time-varying boundary conditions. The free-surface model also provides surface height variations with time.

  7. A Hybrid 3D Indoor Space Model

    NASA Astrophysics Data System (ADS)

    Jamali, Ali; Rahman, Alias Abdul; Boguslawski, Pawel

    2016-10-01

    GIS integrates spatial information and spatial analysis. An important example of such integration is for emergency response which requires route planning inside and outside of a building. Route planning requires detailed information related to indoor and outdoor environment. Indoor navigation network models including Geometric Network Model (GNM), Navigable Space Model, sub-division model and regular-grid model lack indoor data sources and abstraction methods. In this paper, a hybrid indoor space model is proposed. In the proposed method, 3D modeling of indoor navigation network is based on surveying control points and it is less dependent on the 3D geometrical building model. This research proposes a method of indoor space modeling for the buildings which do not have proper 2D/3D geometrical models or they lack semantic or topological information. The proposed hybrid model consists of topological, geometrical and semantical space.

  8. Accidental symmetries and massless quarks in the economical 3-3-1 model

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Montero, J. C.; Sánchez–Vega, B. L.

    In the framework of a 3-3-1 model with a minimal scalar sector, known as the economical 3-3-1 model, we study its capabilities of generating realistic quark masses. After a detailed study of the symmetries of the model, before and after the spontaneous symmetry breaking, we find a remaining axial symmetry that prevents some quarks from gaining mass at all orders in perturbation theory. Since this accidental symmetry is anomalous, we also consider briefly the possibility of generating their masses for nonperturbative effects. However, we find that nonperturbative effects are not enough to generate the measured masses for the three masslessmore » quarks. Hence, these results imply that the economical 3-3-1 model is not a realistic description of the electroweak interaction.« less

  9. A natural S 4 × SO(10) model of flavour

    NASA Astrophysics Data System (ADS)

    Björkeroth, Fredrik; de Anda, Francisco J.; King, Stephen F.; Perdomo, Elena

    2017-10-01

    We propose a natural S 4 × SO(10) supersymmetric grand unified theory of flavour with an auxiliary Z_4^2× Z_4^R symmetry, based on small Higgs representations (nothing larger than an adjoint) and hence a type-I seesaw mechanism. The Yukawa structure of all fermions is determined by the hierarchical vacuum expectation values of three S 4 triplet flavons, with CSD3 vacuum alignments, where up-type quarks and neutrinos couple to one Higgs 10, and the down-type quarks and charged leptons couple to a second Higgs 10. The Yukawa matrices are obtained from sums of low-rank matrices, where each matrix in the sum naturally accounts for the mass of a particular family, as in sequential dominance in the neutrino sector, which predicts a normal neutrino mass hierarchy. The model accurately fits all available quark and lepton data, with predictions for the leptonic CP phase in 95% credible intervals given by 281° < δ ℓ < 308° and 225° < δ ℓ < 253°. The model reduces to the MSSM, with the two Higgs doublets emerging from the two Higgs 10s without mixing, and we demonstrate how a μ term of O(TeV) can be realised, as well as doublet-triplet splitting, with Planck scale operators controlled by symmetry, leading to acceptable proton decay.

  10. a Proposal for Generalization of 3d Models

    NASA Astrophysics Data System (ADS)

    Uyar, A.; Ulugtekin, N. N.

    2017-11-01

    In recent years, 3D models have been created of many cities around the world. Most of the 3D city models have been introduced as completely graphic or geometric models, and the semantic and topographic aspects of the models have been neglected. In order to use 3D city models beyond the task, a generalization is necessary. CityGML is an open data model and XML-based format for the storage and exchange of virtual 3D city models. Level of Details (LoD) which is an important concept for 3D modelling, can be defined as outlined degree or prior representation of real-world objects. The paper aim is first describes some requirements of 3D model generalization, then presents problems and approaches that have been developed in recent years. In conclude the paper will be a summary and outlook on problems and future work.

  11. Structure-activity relationship of daptomycin analogues with substitution at (2S, 3R) 3-methyl glutamic acid position.

    PubMed

    Lin, Du'an; Lam, Hiu Yung; Han, Wenbo; Cotroneo, Nicole; Pandya, Bhaumik A; Li, Xuechen

    2017-02-01

    Daptomycin is a highly effective lipopeptide antibiotic against Gram-positive pathogens. The presence of (2S, 3R) 3-methyl glutamic acid (mGlu) in daptomycin has been found to be important to the antibacterial activity. However the role of (2S, 3R) mGlu is yet to be revealed. Herein, we reported the syntheses of three daptomycin analogues with (2S, 3R) mGlu substituted by (2S, 3R) methyl glutamine (mGln), dimethyl glutamic acid and (2S, 3R) ethyl glutamic acid (eGlu), respectively, and their antibacterial activities. The detailed synthesis of dimethyl glutamic acid was also reported. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Planarian GSK3s are involved in neural regeneration.

    PubMed

    Adell, Teresa; Marsal, Maria; Saló, Emili

    2008-02-01

    Glycogen synthase kinase-3 (GSK3) is a key element in several signaling cascades that is known to be involved in both patterning and neuronal organization. It is, therefore, a good candidate to play a role in neural regeneration in planarians. We report the characterization of three GSK3 genes in Schmidtea mediterranea. Phylogenetic analysis shows that Smed-GSK3.1 is highly conserved compared to GSK3 sequences from other species, whereas Smed-GSK3.2 and Smed-GSK3.3 are more divergent. Treatment of regenerating planarians with 1-azakenpaullone, a synthetic GSK3 inhibitor, suggests that planarian GSK3s are essential for normal differentiation and morphogenesis of the nervous system. Cephalic ganglia appear smaller and disconnected in 1-azakenpaullone-treated animals, whereas visual axons are ectopically projected, and the pharynx does not regenerate properly. This phenotype is consistent with a role for Smed-GSK3s in neuronal polarization and axonal growth.

  13. Measurements of the $$\\Upsilon$$(1S), $$\\Upsilon$$(2S), and $$\\Upsilon$$(3S) differential cross sections in pp collisions at $$\\sqrt{s} =$$ 7 TeV

    DOE PAGES

    Khachatryan, Vardan

    2015-07-22

    Differential cross sections as a function of transverse momentum p T are presented for the production of Υ(nS) (n = 1, 2, 3) states decaying into a pair of muons. Thus, data corresponding to an integrated luminosity of 4.9 fb -1 in pp collisions at √s = 7 TeV were collected with the CMS detector at the LHC. The analysis selects events with dimuon rapidity |y| < 1.2 and dimuon transverse momentum in the range 10 < p T < 100 GeV. The measurements show a transition from an exponential to a power-law behavior at p T ≈ 20 GeVmore » for the three Υ states. Above that transition, the Υ(3S) spectrum is significantly harder than that of the Υ(1S). The ratios of the Υ(3S) and Υ(2S) differential cross sections to theγ Υ(1S) cross section show a rise as p T increases at low p T, then become flatter at higher p T.« less

  14. Computational chemistry of modified [MFe3S4] and [M2Fe2S4] clusters: assessment of trends in electronic structure and properties.

    PubMed

    Jensen, Kasper P; Ooi, Bee-Lean; Christensen, Hans E M

    2008-12-18

    The aim of this work is to understand the molecular evolution of iron-sulfur clusters in terms of electronic structure and function. Metal-substituted models of biological [Fe(4)S(4)] clusters in oxidation states [M(x)Fe(4-x)S(4)](3+/2+/1+) have been studied by density functional theory (M = Cr, Mn, Fe, Co, Ni, Cu, Zn, and Pd, with x = 1 or 2). Most of these clusters have not been characterized before. For those that have been characterized experimentally, very good agreement is obtained, implying that also the predicted structures and properties of new clusters are accurate. Mean absolute errors are 0.024 A for bond lengths ([Fe(4)S(4)], [NiFe(3)S(4)], [CoFe(3)S(4)]) and 0.09 V for shifts in reduction potentials relative to the [Fe(4)S(4)] cluster. All structures form cuboidal geometries similar to the all-iron clusters, except the Pd-substituted clusters, which instead form highly distorted trigonal and tetragonal local sites in compromised, pseudocuboidal geometries. In contrast to other electron-transfer sites, cytochromes, blue copper proteins, and smaller iron-sulfur clusters, we find that the [Fe(4)S(4)] clusters are very insensitive to metal substitution, displaying quite small changes in reorganization energies and reduction potentials upon substitution. Thus, the [Fe(4)S(4)] clusters have an evolutionary advantage in being robust to pollution from other metals, still retaining function. We analyze in detail the electronic structure of individual clusters and rationalize spin couplings and redox activity. Often, several configurations are very close in energy, implying possible use as spin-crossover systems, and spin states are predicted accurately in all but one case ([CuFe(3)S(4)]). The results are anticipated to be helpful in defining new molecular systems with catalytic and magnetic properties.

  15. Do-It-Yourself: 3D Models of Hydrogenic Orbitals through 3D Printing

    ERIC Educational Resources Information Center

    Griffith, Kaitlyn M.; de Cataldo, Riccardo; Fogarty, Keir H.

    2016-01-01

    Introductory chemistry students often have difficulty visualizing the 3-dimensional shapes of the hydrogenic electron orbitals without the aid of physical 3D models. Unfortunately, commercially available models can be quite expensive. 3D printing offers a solution for producing models of hydrogenic orbitals. 3D printing technology is widely…

  16. Effect of Annealing Temperature on Flowerlike Cu3BiS3 Thin Films Grown by Chemical Bath Deposition

    NASA Astrophysics Data System (ADS)

    Deshmukh, S. G.; Patel, S. J.; Patel, K. K.; Panchal, A. K.; Kheraj, Vipul

    2017-10-01

    For widespread application of thin-film photovoltaic solar cells, synthesis of inexpensive absorber material is essential. In this work, deposition of ternary Cu3BiS3 absorber material, which contains abundant and environmentally benign elements, was carried out on glass substrate. Flowerlike Cu3BiS3 thin films with nanoflakes as building block were formed on glass substrate by chemical bath deposition. These films were annealed at 573 K and 673 K in sulfur ambient for structural improvement. Their structure was characterized using Raman spectroscopy, as well as their surface morphological and optical properties. The x-ray diffraction profile of as-deposited Cu3BiS3 thin film revealed amorphous structure, which transformed to orthorhombic phase after annealing. The Raman spectrum exhibited a characteristic peak at 290 cm-1. Scanning electron microscopy of as-deposited Cu3BiS3 film confirmed formation of nanoflowers with diameter of around 1052 nm. Wettability testing of as-deposited Cu3BiS3 thin film demonstrated hydrophobic nature, which became hydrophilic after annealing. The measured ultraviolet-visible (UV-Vis) absorption spectra of the Cu3BiS3 thin films gave an absorption coefficient of 105 cm-1 and direct optical bandgap of about 1.42 eV after annealing treatment. Based on all these results, such Cu3BiS3 material may have potential applications in the photovoltaic field as an absorber layer.

  17. Electron attachment to CF3 and CF3Br at temperatures up to 890 K: experimental test of the kinetic modeling approach.

    PubMed

    Shuman, Nicholas S; Miller, Thomas M; Viggiano, Albert A; Troe, Jürgen

    2013-05-28

    Thermal rate constants and product branching fractions for electron attachment to CF3Br and the CF3 radical have been measured over the temperature range 300-890 K, the upper limit being restricted by thermal decomposition of CF3Br. Both measurements were made in Flowing Afterglow Langmuir Probe apparatuses; the CF3Br measurement was made using standard techniques, and the CF3 measurement using the Variable Electron and Neutral Density Attachment Mass Spectrometry technique. Attachment to CF3Br proceeds exclusively by the dissociative channel yielding Br(-), with a rate constant increasing from 1.1 × 10(-8) cm(3) s(-1) at 300 K to 5.3 × 10(-8) cm(3) s(-1) at 890 K, somewhat lower than previous data at temperatures up to 777 K. CF3 attachment proceeds through competition between associative attachment yielding CF3 (-) and dissociative attachment yielding F(-). Prior data up to 600 K showed the rate constant monotonically increasing, with the partial rate constant of the dissociative channel following Arrhenius behavior; however, extrapolation of the data using a recently proposed kinetic modeling approach predicted the rate constant to turn over at higher temperatures, despite being only ~5% of the collision rate. The current data agree well with the previous kinetic modeling extrapolation, providing a demonstration of the predictive capabilities of the approach.

  18. Evaluation of Full Reynolds Stress Turbulence Models in FUN3D

    NASA Technical Reports Server (NTRS)

    Dudek, Julianne C.; Carlson, Jan-Renee

    2017-01-01

    Full seven-equation Reynolds stress turbulence models are promising tools for today’s aerospace technology challenges. This paper examines two such models for computing challenging turbulent flows including shock-wave boundary layer interactions, separation and mixing layers. The Wilcox and the SSG/LRR full second-moment Reynolds stress models have been implemented into the FUN3D (Fully Unstructured Navier-Stokes Three Dimensional) unstructured Navier-Stokes code and were evaluated for four problems: a transonic two-dimensional diffuser, a supersonic axisymmetric compression corner, a compressible planar shear layer, and a subsonic axisymmetric jet. Simulation results are compared with experimental data and results computed using the more commonly used Spalart-Allmaras (SA) one-equation and the Menter Shear Stress Transport (SST-V) two-equation turbulence models.

  19. One-step hydrothermal synthesis of 3D petal-like Co9S8/RGO/Ni3S2 composite on nickel foam for high-performance supercapacitors.

    PubMed

    Zhang, Zhuomin; Wang, Qian; Zhao, Chongjun; Min, Shudi; Qian, Xiuzhen

    2015-03-04

    Co9S8, Ni3S2, and reduced graphene oxide (RGO) were combined to construct a graphene composite with two mixed metal sulfide components. Co9S8/RGO/Ni3S2 composite films were hydrothermal-assisted synthesized on nickel foam (NF) by using a modified "active metal substrate" route in which nickel foam acted as both a substrate and Ni source for composite films. It is found that the Co9S8/RGO/Ni3S2/NF electrode exhibits superior capacitive performance with high capability (13.53 F cm(-2) at 20 mA cm(-2), i.e., 2611.9 F g(-1) at 3.9 A g(-1)), excellent rate capability, and enhanced electrochemical stability, with 91.7% retention after 1000 continuous charge-discharge cycles even at a high current density of 80 mA cm(-2).

  20. Influence of Pt substitution on magnetic properties of multipolar ordering compounds Ce(Pd,Pt)3S4

    NASA Astrophysics Data System (ADS)

    Michimura, S.; Nishikawa, Ushio; Shimizu, Akihide; Kosaka, Masashi; Numakura, Ryosuke; Iizuka, Ryosuke; Katano, Susumu

    2018-05-01

    We have studied the magnetic properties of the multipolar ordering compounds Ce(Pd1-xPtx) 3S4 with 0.00 ≤ x ≤ 0.53 by means of magnetic susceptibility and magnetization measurements. In CePd3S4 , a simultaneous phase transition of the antiferro quadrupolar (AFQ) ordering and ferro magnetic (FM) ordering has been observed at 6.3 K. It has been suggested that the primary order parameter of CePd3S4 is the quadrupole moments, and it has not been understood why the FM ordering occurs at very high temperature which is almost the same magnetic transition temperature of GdPd3S4 . GdPd3S4 shows an antiferromagnetic (AFM) transition at 5.8 K. With increasing Pt substitution in CePd3S4 , the FM transition temperature TC (x) is rapidly suppressed to 2.4 K for x ≃ 0.3 and approaches asymptotically to 1.9 K (x = 0.53) . The results of magnetization curve suggest that the ordered state below TC (x) remains FM and AFQ ordered state for the whole range of x. For x ≥ 0.29 , TC (x) reaches at around 2 K, a new AFM transition was observed at TN (x) ≃ 7 K . We determined the T - x phase diagram, and discuss the phase transitions at TC (x) and TN (x) . The results suggest the possibility of the presence of the correlation between the magnetic interaction and the quadrupole interaction, and the correlation is not understood based on the previous multipolar model.

  1. Phosphorylation of NHE3-S719 regulates NHE3 activity through the formation of multiple signaling complexes

    PubMed Central

    Sarker, Rafiquel; Cha, Boyoung; Kovbasnjuk, Olga; Cole, Robert; Gabelli, Sandra; Tse, Chung Ming; Donowitz, Mark

    2017-01-01

    Casein kinase 2 (CK2) binds to the NHE3 C-terminus and constitutively phosphorylates a downstream site (S719) that accounts for 40% of basal NHE3 activity. The role of CK2 in regulation of NHE3 activity in polarized Caco-2/bbe cells was further examined by mutation of NHE3-S719 to A (not phosphorylated) or D (phosphomimetic). NHE3-S719A but not -S719D had multiple changes in NHE3 activity: 1) reduced basal NHE3 activity—specifically, inhibition of the PI3K/AKT-dependent component; 2) reduced acute stimulation of NHE3 activity by LPA/LPA5R stimulation; and 3) reduced acute inhibition of NHE3 activity—specifically, elevated Ca2+ related (carbachol/Ca2+ ionophore), but there was normal inhibition by forskolin and hyperosmolarity. The S719A mutant had reduced NHE3 complex size, reduced expression in lipid rafts, increased BB mobile fraction, and reduced binding to multiple proteins that bind throughout the NHE3 intracellular C-terminus, including calcineurin homologous protein, the NHERF family and SNX27 (related PDZ domains). These studies show that phosphorylation of the NHE3 at a single amino acid in the distal part of the C-terminus affects multiple aspects of NHE3 complex formation and changes the NHE3 lipid raft distribution, which cause changes in specific aspects of basal as well as acutely stimulated and inhibited Na+/H+ exchange activity. PMID:28495796

  2. New ATCA, ALMA and VISIR observations of the candidate LBV SK -67 266 (S61): the nebular mass from modelling 3D density distributions

    NASA Astrophysics Data System (ADS)

    Agliozzo, C.; Nikutta, R.; Pignata, G.; Phillips, N. M.; Ingallinera, A.; Buemi, C.; Umana, G.; Leto, P.; Trigilio, C.; Noriega-Crespo, A.; Paladini, R.; Bufano, F.; Cavallaro, F.

    2017-04-01

    We present new observations of the nebula around the Magellanic candidate Luminous Blue Variable S61. These comprise high-resolution data acquired with the Australia Telescope Compact Array (ATCA), the Atacama Large Millimetre/Submillimetre Array (ALMA), and the VLT Imager and Spectrometer for mid Infrared (VISIR) at the Very Large Telescope. The nebula was detected only in the radio, up to 17 GHz. The 17 GHz ATCA map, with 0.8 arcsec resolution, allowed a morphological comparison with the Hα Hubble Space Telescope image. The radio nebula resembles a spherical shell, as in the optical. The spectral index map indicates that the radio emission is due to free-free transitions in the ionized, optically thin gas, but there are hints of inhomogeneities. We present our new public code RHOCUBE to model 3D density distributions and determine via Bayesian inference the nebula's geometric parameters. We applied the code to model the electron density distribution in the S61 nebula. We found that different distributions fit the data, but all of them converge to the same ionized mass, ˜ 0.1 M⊙, which is an order of magnitude smaller than previous estimates. We show how the nebula models can be used to derive the mass-loss history with high-temporal resolution. The nebula was probably formed through stellar winds, rather than eruptions. From the ALMA and VISIR non-detections, plus the derived extinction map, we deduce that the infrared emission observed by space telescopes must arise from extended, diffuse dust within the ionized region.

  3. Measuring the free neutron lifetime to <= 0.3s via the beam method

    NASA Astrophysics Data System (ADS)

    Fomin, Nadia; Mulholland, Jonathan

    2015-04-01

    Neutron beta decay is an archetype for all semi-leptonic charged-current weak processes. A precise value for the neutron lifetime is required for consistency tests of the Standard Model and is needed to predict the primordial 4 He abundance from the theory of Big Bang Nucleosynthesis. An effort has begun for an in-beam measurement of the neutron lifetime with an projected <=0.3s uncertainty. This effort is part of a phased campaign of neutron lifetime measurements based at the NIST Center for Neutron Research, using the Sussex-ILL-NIST technique. Recent advances in neutron fluence measurement techniques as well as new large area silicon detector technology address the two largest sources of uncertainty of in-beam measurements, paving the way for a new measurement. The experimental design and projected uncertainties for the 0.3s measurement will be discussed. This work is supported by the DOE office of Science, NIST and NSF.

  4. Dynamical analysis of relaxation luminescence in ZnS:Er3+ thin film devices

    NASA Astrophysics Data System (ADS)

    Wang, Yu-Jiang; Wu, Chen-Xu; Chen, Mou-Zhi; Huang, Mei-Chun

    2003-06-01

    The relaxation luminescence of ZnS:Er3+ thin film devices fabricated by thermal evaporation with two boats is studied. The dynamical processes of the luminescence of Er3+ in ZnS are described in terms of a resonant energy transfer model, assuming that the probability of collision excitation of injected electrons with luminescence centers is expressed as a Gaussian function. It is found that the frequency distribution depends on the Lorentzian function by considering the emission from excited states as a damped oscillator. Taking into consideration the energy storing effect of traps, an expression is obtained to describe a profile that contains multiple relaxation luminescence peaks using the convolution theorem. Fitting of experimental results shows that the relaxation characteristics of the electroluminescence are related to the carriers captured by bulk traps as well as by interface states. The numerical calculation carried out agrees well with the dynamical characteristics of relaxation luminescence obtained by experiments.

  5. Stability of the high pressure phase Fe3S2 up to Earth's core pressures in the Fe-S-O and the Fe-S-Si systems

    NASA Astrophysics Data System (ADS)

    Zurkowski, C. C.; Chidester, B.; Davis, A.; Brauser, N.; Greenberg, E.; Prakapenka, V. B.; Campbell, A.

    2017-12-01

    Earth's core is comprised of an iron-nickel alloy that contains 5-15% of a light element component. The abundance and alloying capability of sulfur, silicon and oxygen in the bulk Earth make them important core alloy candidates; therefore, the high-pressure phase equilibria of the Fe-S-O and Fe-S-Si systems are relevant for understanding the possible chemistry of Earth's core. Previously, a Fe3S2 phase was recognized as a low-pressure intermediate phase in the Fe-FeS system that is stable from 14-21 GPa, but the structure of this phase has not been resolved. We report in-situ XRD and chemical analysis of recovered samples to further examine the stability and structure of Fe3S2 as it coexists with other phases in the Fe-S-O and Fe-S-Si systems. In situ high P-T synchrotron XRD experiments were conducted in the laser-heated diamond anvil cell to determine the equilibrium phases in Fe75S7O18 and Fe80S5Si15 compositions between 30 and 174 GPa and up to 3000 K. In the S,O-rich samples, an orthorhombic Fe3S2 phase coexists with hcp-Fe, Fe3S and FeO and undergoes two monoclinic distortions between 60 and 174 GPa. In the S,Si-rich samples, the orthorhombic Fe3S2 phase was observed up to 115 GPa. With increasing pressure, the Fe3S2 phase becomes stable to higher temperatures in both compositions, suggesting possible Fe3(S,O)2 or Fe3(S,Si)2 solid solutions. SEM analysis of a laser heated Fe75S7O18 sample recovered from 40 GPa and 1450 K confirms a Fe3(S,O)2 phase with O dissolved into the structure. Based on the current melting data in the Fe-S-O and Fe-S-Si systems, the Fe3(S,O)2 stability field intersects the solidus in the outer core and could be a possible liquidus phase in Fe,S,O-rich planetary cores, whereas Fe3S is the stable sulfide at outer core pressures in Fe,S,Si-rich systems.

  6. Fast spinning strings on η deformed AdS 5 × S 5

    NASA Astrophysics Data System (ADS)

    Banerjee, Aritra; Bhattacharyya, Arpan; Roychowdhury, Dibakar

    2018-02-01

    In this paper, considering the correspondence between spin chains and string sigma models, we explore the rotating string solutions over η deformed AdS 5 × S 5 in the so-called fast spinning limit. In our analysis, we focus only on the bosonic part of the full superstring action and compute the relevant limits on both ( R × S 3) η and ( R × S 5) η models. The resulting system reveals that in the fast spinning limit, the sigma model on η deformed S 5 could be approximately thought of as the continuum limit of anisotropic SU(3) Heisenberg spin chain model. We compute the energy for a certain class of spinning strings in deformed S 5 and we show that this energy can be mapped to that of a similar spinning string in the purely imaginary β deformed background.

  7. Cluster transformation of [Cu33-H)(μ3-BH4)((PPh2)2NH)3](BF4) to [Cu33-H)(μ2,μ1-S2CH)((PPh2)2NH)3](BF4) via reaction with CS2. X-ray structural characterisation and reactivity of cationic clusters explored by multistage mass spectrometry and computational studies.

    PubMed

    Ma, Howard Z; Li, Jiaye; Canty, Allan J; O'Hair, Richard A J

    2017-11-07

    The copper nanocluster [Cu 33 -H)(μ 3 -BH 4 )L Ph 3 ](BF 4 ), 1a·BF4 (L Ph = (PPh 2 ) 2 NH = dppa), can potentially react with substrates at either the coordinated hydride or borohydride sites. Reaction of 1a·BF4 with CS 2 has given rise to [Cu 33 -H)(μ 2 ,μ 1 -S 2 CH)L Ph 3 ](BF 4 ), (2a·BF4), which was structurally characterised using electrospray ionisation (ESI) with high-resolution mass spectrometry (HRMS), X-ray crystallography, NMR, IR and UV-Vis spectroscopy. The copper(i) atoms adopt a planar trinuclear Cu 3 geometry coordinated on the bottom face by a μ 3 -hydride, on the top face by a μ 2 ,μ 1 -dithioformate and surrounded by three bridging L Ph ligands. Reaction of 1a·BF4 with elemental sulfur gives the known cluster [Cu 4 (L Ph -H + 2S) 3 ](BF 4 ), (3·BF4), which was structurally characterised via X-ray crystallography. ESI-MS of 2a·BF4 produces [Cu 3 (H)(S 2 CH)L Ph 3 ] + and its gas-phase ion chemistry was examined under multistage mass spectrometry conditions using collision-induced dissociation (CID). The primary product, [Cu 3 (H)(S 2 CH)L Ph 2 ] + , formed via ligand loss, undergoes further fragmentation via loss of thioformaldehyde to give [Cu 3 (S)L Ph 2 ] + . DFT calculations exploring rearrangement and fragmentation of the model system [Cu 3 (H)(S 2 CH)L Me 2 ] + (L Me = (PMe 2 ) 2 NH = dmpa) provide a feasible mechanism. Thus, coupling of the coordinated hydride with the dithioformate ligands gives [Cu 3 (S 2 CH 2 )L Me 2 ] + , which then undergoes CH 2 S extrusion via C-S bond cleavage to give [Cu 3 (S)L Me 2 ] + .

  8. Imaging the photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states

    PubMed Central

    Marggi Poullain, Sonia; Chicharro, David V.; Zanchet, Alexandre; González, Marta G.; Rubio-Lago, Luis; Senent, María L.; García-Vela, Alberto; Bañares, Luis

    2016-01-01

    The photodissociation dynamics of the methyl radical from the 3s and 3pz Rydberg states have been studied using velocity map and slice ion imaging in combination with pump-probe nanosecond laser pulses. The reported translational energy and angular distributions of the H(2S) photofragment detected by (2+1) REMPI highlight different dissociation mechanisms for the 3s and 3pz Rydberg states. A narrow peak in the translational energy distribution and an anisotropic angular distribution characterizes the fast 3s photodissociation, while for the 3pz state Boltzmann-type translational energy and isotropic angular distributions are found. High level ab initio calculations have been performed in order to elucidate the photodissociation mechanisms from the two Rydberg states and to rationalize the experimental results. The calculated potential energy curves highlight a typical predissociation mechanism for the 3s state, characterized by the coupling between the 3s Rydberg state and a valence repulsive state. On the other hand, the photodissociation on the 3pz state is initiated by a predissociation process due to the coupling between the 3pz Rydberg state and a valence repulsive state and constrained, later on, by two conical intersections that allow the system to relax to lower electronic states. Such mechanism opens different reaction pathways leading to CH2 photofragments in different electronic states and inducing a transfer of energy between translational and internal modes. PMID:27296907

  9. The herpes simplex virus 1 U{sub S}3 regulates phospholipid synthesis

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wild, Peter, E-mail: pewild@access.uzh.ch; Institute of Virology, University of Zuerich; Oliveira, Anna Paula de

    2012-10-25

    Herpes simplex virus type 1 capsids bud at nuclear and Golgi membranes for envelopment by phospholipid bilayers. In the absence of U{sub S}3, nuclear membranes form multiple folds harboring virions that suggests disturbance in membrane turnover. Therefore, we investigated phospholipid metabolism in cells infected with the U{sub S}3 deletion mutant R7041({Delta}U{sub S}3), and quantified membranes involved in viral envelopment. We report that (i) [{sup 3}H]-choline incorporation into nuclear membranes and cytoplasmic membranes was enhanced peaking at 12 or 20 h post inoculation with wild type HSV-1 and R7041({Delta}U{sub S}3), respectively, (ii) the surface area of nuclear membranes increased until 24more » h of R7041({Delta}U{sub S}3) infection forming folds that equaled {approx}45% of the nuclear surface, (iii) the surface area of viral envelopes between nuclear membranes equaled {approx}2400 R7041({Delta}U{sub S}3) virions per cell, and (iv) during R7041({Delta}U{sub S}3) infection, the Golgi complex expanded dramatically. The data indicate that U{sub S}3 plays a significant role in regulation of membrane biosynthesis.« less

  10. JRC Copernicus Climate Change Service (C3S) F4P platform.

    NASA Astrophysics Data System (ADS)

    Mota, Bernardo; Cappucci, Fabrizio; Gobron, Nadine

    2016-04-01

    With the increasing number of Earth Observation satellites and derived land surface products, concerns of quality assurance led the Global Climate Observing System (GCOS) to establish accuracy criteria and standards. In this context, the Climate Change Copernicus Service (C3S) fitness-for-purpose (F4P) platform, developed at the Joint Research Centre, aims assessing the quality of land Essential Climate Variables (ECVs) in compliance with GCOS criteria. In this paper, we first summarize the JRC C3S FP4 goals and secondly present the automatic review platform to assess multi-mission physical consistencies and physical coherence of and between various land products, at global and regional scales. We propose new metrics, such as Gamma Index and Triple Collocation Error Model, for multi-mission product inter-comparison and stability assessment, and resource selection statistical methods to assess physical coherence with other related ECV products. Examples concern the consistency of five global albedo products (GlobAlbedo, GLASS, MCD43C3, GIO and MISR), between 2000 And 2011, and their coherence with four burnt area products (MCD45A1, MCD64A1, Fire_CCI and GIO) for the overlapping period (2006 to 2008). Preliminary results show reasonable agreement with the inherent limitations of each product algorithm and sensor resolution.

  11. A Preliminary Synthesis of Modeled Climate Change Impacts on U.S. Regional Ozone Concentrations

    EPA Science Inventory

    This paper provides a synthesis of results that have emerged from recent modeling studies of the potential sensitivity of U.S. regional ozone (O3) concentrations to global climate change (c. 2050). This research has been carried out under the auspices of an ongoing U....

  12. Electronic and structural properties of B i2S e3:Cu

    NASA Astrophysics Data System (ADS)

    Sobczak, Kamil; Strak, Pawel; Kempisty, Pawel; Wolos, Agnieszka; Hruban, Andrzej; Materna, Andrzej; Borysiuk, Jolanta

    2018-04-01

    Electronic and structural properties of B i2S e3 and its extension to copper doped B i2S e3:Cu were studied using combined ab initio simulations and transmission electron microscopy based techniques, including electron energy loss spectroscopy, energy filtered transmission electron microscopy, and energy dispersive x-ray spectroscopy. The stability of the mixed phases was investigated for substitutional and intercalation changes of basic B i2S e3 structure. Four systems were compared: B i2S e3 , structures obtaining by Cu intercalation of the van der Waals gap, by substitution of Bi by Cu in quintuple layers, and C u2Se . The structures were identified and their electronic properties were obtained. Transmission electron microscopy measurements of B i2S e3 and the B i2S e3:Cu system identified the first structure as uniform and the second as composite, consisting of a nonuniform lower-Cu-content matrix and randomly distributed high-Cu-concentration precipitates. Critical comparison of the ab initio and experimental data identified the matrix as having a B i2S e3 dominant part with randomly distributed Cu-intercalated regions having 1Cu-B i2S e3 structure. The precipitates were determined to have 3Cu-B i2S e3 structure.

  13. Additional development of the XTRAN3S computer program

    NASA Technical Reports Server (NTRS)

    Borland, C. J.

    1989-01-01

    Additional developments and enhancements to the XTRAN3S computer program, a code for calculation of steady and unsteady aerodynamics, and associated aeroelastic solutions, for 3-D wings in the transonic flow regime are described. Algorithm improvements for the XTRAN3S program were provided including an implicit finite difference scheme to enhance the allowable time step and vectorization for improved computational efficiency. The code was modified to treat configurations with a fuselage, multiple stores/nacelles/pylons, and winglets. Computer program changes (updates) for error corrections and updates for version control are provided.

  14. High Performance Programming Using Explicit Shared Memory Model on Cray T3D1

    NASA Technical Reports Server (NTRS)

    Simon, Horst D.; Saini, Subhash; Grassi, Charles

    1994-01-01

    The Cray T3D system is the first-phase system in Cray Research, Inc.'s (CRI) three-phase massively parallel processing (MPP) program. This system features a heterogeneous architecture that closely couples DEC's Alpha microprocessors and CRI's parallel-vector technology, i.e., the Cray Y-MP and Cray C90. An overview of the Cray T3D hardware and available programming models is presented. Under Cray Research adaptive Fortran (CRAFT) model four programming methods (data parallel, work sharing, message-passing using PVM, and explicit shared memory model) are available to the users. However, at this time data parallel and work sharing programming models are not available to the user community. The differences between standard PVM and CRI's PVM are highlighted with performance measurements such as latencies and communication bandwidths. We have found that the performance of neither standard PVM nor CRI s PVM exploits the hardware capabilities of the T3D. The reasons for the bad performance of PVM as a native message-passing library are presented. This is illustrated by the performance of NAS Parallel Benchmarks (NPB) programmed in explicit shared memory model on Cray T3D. In general, the performance of standard PVM is about 4 to 5 times less than obtained by using explicit shared memory model. This degradation in performance is also seen on CM-5 where the performance of applications using native message-passing library CMMD on CM-5 is also about 4 to 5 times less than using data parallel methods. The issues involved (such as barriers, synchronization, invalidating data cache, aligning data cache etc.) while programming in explicit shared memory model are discussed. Comparative performance of NPB using explicit shared memory programming model on the Cray T3D and other highly parallel systems such as the TMC CM-5, Intel Paragon, Cray C90, IBM-SP1, etc. is presented.

  15. 47 CFR 3.53 - FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s).

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 1 2013-10-01 2013-10-01 false FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s). 3.53 Section 3.53 Telecommunication FEDERAL COMMUNICATIONS... telecommunications service to U.S. registered vessel(s). An accounting authority must inform the FCC immediately...

  16. 47 CFR 3.53 - FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s).

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 1 2014-10-01 2014-10-01 false FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s). 3.53 Section 3.53 Telecommunication FEDERAL COMMUNICATIONS... telecommunications service to U.S. registered vessel(s). An accounting authority must inform the FCC immediately...

  17. 47 CFR 3.53 - FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s).

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 1 2012-10-01 2012-10-01 false FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s). 3.53 Section 3.53 Telecommunication FEDERAL COMMUNICATIONS... telecommunications service to U.S. registered vessel(s). An accounting authority must inform the FCC immediately...

  18. 47 CFR 3.53 - FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s).

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 1 2011-10-01 2011-10-01 false FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s). 3.53 Section 3.53 Telecommunication FEDERAL COMMUNICATIONS... telecommunications service to U.S. registered vessel(s). An accounting authority must inform the FCC immediately...

  19. 47 CFR 3.53 - FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s).

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC notification of refusal to provide telecommunications service to U.S. registered vessel(s). 3.53 Section 3.53 Telecommunication FEDERAL COMMUNICATIONS... telecommunications service to U.S. registered vessel(s). An accounting authority must inform the FCC immediately...

  20. Pretest analysis of Semiscale Mod-3 baseline test S-07-8 and S-07-9

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fineman, C.P.; Steiner, J.L.; Snider, D.M.

    This document contains a pretest analysis of the Semiscale Mod-3 system thermal-hydraulic response for the second and third integral tests in Test Series 7 (Tests S-07-8 and S-07-9). Test Series 7 is the first test series to be conducted with the Semiscale Mod-3 system. The design of the Mod-3 system includes an improved representation of certain portions of a pressurized water reactor (PWR) when compared to the previously operated Semiscale Mod-1 system. The improvements include a new vessel which contains a full length (3.66 m) core, a full length upper plenum and upper head, and an external downcomer. An activemore » pump and active steam generator scaled to their pressurized water reactor (PWR) counterparts have been added to the broken loop. The upper head design includes the capability to simulate emergency core coolant (ECC) injection into this region. Test Series 7 is divided into three groups of tests that emphasize the evaluation of the Mod-3 system performance during different phases of the loss-of-coolant experiment (LOCE) transient. The last test group, which includes Tests S-07-8 and S-07-9, will be used to evaluate the integral behavior of the system. The previous two test groups were used to evaluate the blowdown behavior and the reflood behavior of the system. 3 refs., 35 figs., 12 tabs.« less

  1. U.S. Department of Energy Reference Model Program RM2: Experimental Results

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hill, Craig; Neary, Vincent Sinclair; Gunawan, Budi

    2014-08-01

    The Reference Model Project (RMP), sponsored by the U.S. Department of Energy’s (DOE) Wind and Water Power Technologies Program within the Office of Energy Efficiency & Renewable Energy (EERE), aims at expediting industry growth and efficiency by providing non-proprietary Reference Models (RM) of MHK technology designs as study objects for open-source research and development (Neary et al. 2014a,b). As part of this program, MHK turbine models were tested in a large open channel facility at the University of Minnesota’s St. Anthony Falls Laboratory (UMN - SAFL) . Reference Model 2 (RM2) is a 1:15 geometric scale dual - rotor crossmore » flow vertical axis device with counter - rotating rotors, each with a rotor diameter d T = 0.43m and rotor height, h T = 0.323 m. RM2 is a river turbine designed for a site modeled after a reach in the lower Mississippi River near Baton Rouge, Louisiana (Barone et al. 2014) . Precise blade angular position and torque measurements were synchronized with three acoustic Doppler velocimeters (ADV) aligned with each rotor and the midpoint for RM2 . Flow conditions for each case were controlled such that depth, h = 1m, and volumetric flow rate, Q w = 2. 35m 3s -1 , resulting in a hub height velocity of approximately U hub = 1. 2 ms -1 and blade chord length Reynolds numbers of Re c = 6 .1x10 4. Vertical velocity profiles collected in the wake of each device from 1 to 10 rotor diameters are used to estimate the velocity recovery and turbulent characteristics in the wake, as well as the interaction of the counter-rotating rotor wakes. The development of this high resolution laboratory investigation provides a robust dataset that enables assessing computational fluid dynamics (CFD) models and their ability to accurately simulate turbulent inflow environments, device performance metrics, and to reproduce wake velocity deficit, recovery and higher order turbulent statistics.« less

  2. Virtual 3d City Modeling: Techniques and Applications

    NASA Astrophysics Data System (ADS)

    Singh, S. P.; Jain, K.; Mandla, V. R.

    2013-08-01

    3D city model is a digital representation of the Earth's surface and it's related objects such as Building, Tree, Vegetation, and some manmade feature belonging to urban area. There are various terms used for 3D city models such as "Cybertown", "Cybercity", "Virtual City", or "Digital City". 3D city models are basically a computerized or digital model of a city contains the graphic representation of buildings and other objects in 2.5 or 3D. Generally three main Geomatics approach are using for Virtual 3-D City models generation, in first approach, researcher are using Conventional techniques such as Vector Map data, DEM, Aerial images, second approach are based on High resolution satellite images with LASER scanning, In third method, many researcher are using Terrestrial images by using Close Range Photogrammetry with DSM & Texture mapping. We start this paper from the introduction of various Geomatics techniques for 3D City modeling. These techniques divided in to two main categories: one is based on Automation (Automatic, Semi-automatic and Manual methods), and another is Based on Data input techniques (one is Photogrammetry, another is Laser Techniques). After details study of this, finally in short, we are trying to give the conclusions of this study. In the last, we are trying to give the conclusions of this research paper and also giving a short view for justification and analysis, and present trend for 3D City modeling. This paper gives an overview about the Techniques related with "Generation of Virtual 3-D City models using Geomatics Techniques" and the Applications of Virtual 3D City models. Photogrammetry, (Close range, Aerial, Satellite), Lasergrammetry, GPS, or combination of these modern Geomatics techniques play a major role to create a virtual 3-D City model. Each and every techniques and method has some advantages and some drawbacks. Point cloud model is a modern trend for virtual 3-D city model. Photo-realistic, Scalable, Geo-referenced virtual 3

  3. Etude des mécanismes d'ionisation de H{2}O par interaction He^{*}(2 ^1S, 2 ^3S)/Ne^{*}(^3P{0}, ^3P{2})+H{2}O

    NASA Astrophysics Data System (ADS)

    Le Nadan, André; Sinou, Guillaume; Tuffin, Firmin

    1993-06-01

    Experimental observations of Penning ionisation of H{2}O by the helium metastables 21S and 23S and by the neon metastables ^3P{0} and ^3P{2} are reported. The kinetic energies of the ions created during the collision process (both parent and fragment) are analysed. Certain particularities of the experimental results are explained by involving the hypothesis of transfers of vibrational energy to kinetic energy. Furthermore, the forms of the energy distributions of the fragment ions are explained by th predissociation of the ^2B{2} state of H{2}O+. Nous avons étudié l'ionisation Penning de H{2}O par des métastables 21S et 23S de l'hélium, ainsi que ^3P{0} et ^3P{2} du néon. Nous avons analysé l'énergie cinétique des ions créés au cours de la collision (parents et fragments). Afin d'interpréter certaines particularités expérimentales, l'hypothèse de transferts d'énergie de vibration en énergie cinétique est proposées. Par ailleurs, les caractéristiques des distributions en énergie des ions fragments sont expliquées par la prédissociation de l'état ^2B{2} de H{2}O+.

  4. Tropical Intraseasonal Variability in Version 3 of the GFDL Atmosphere Model

    NASA Astrophysics Data System (ADS)

    Benedict, J. J.; Maloney, E. D.; Sobel, A. H.; Frierson, D. M.; Donner, L.

    2012-12-01

    Tropical intraseasonal variability is examined in version 3 of the Geophysical Fluid Dynamics Laboratory Atmosphere Model (AM3). Compared to its predecessor AM2, AM3 uses a new treatment of deep and shallow cumulus convection and mesoscale clouds. The AM3 cumulus parameterization is a mass flux-based scheme but also, unlike that in AM2, incorporates subgrid-scale vertical velocities; these play a key role in cumulus microphysical processes. The AM3 convection scheme allows multi-phase water substance produced in deep cumuli to be transported directly into mesoscale clouds, which strongly influence large-scale moisture and radiation fields. We examine four AM3 simulations, using a control model and three versions with different modifications to the deep convection scheme. In the control AM3, using a convective closure based on CAPE relaxation, both the MJO and Kelvin waves are weak compared to those in observations. By modifying the convective closure and trigger assumptions to inhibit deep cumuli, AM3 produces reasonable intraseasonal variability but a degraded mean state. MJO-like disturbances in the modified AM3 propagate eastward at roughly the observed speed in the Indian Ocean but up to twice the observed speed in the West Pacific. Distinct differences in intraseasonal convective organization and propagation exist among the modified AM3 versions. Differences in vertical diabatic heating profiles associated with the MJO are also found. The two AM3 versions with the strongest intraseasonal signals have a more prominent "bottom-heavy" heating profile leading the disturbance center and "top-heavy" heating profile following the disturbance. The more realistic heating structures are associated with an improved depiction of moisture convergence and intraseasonal convective organization in AM3.ag correlations of 850 hPa zonal wind with precipitation at (left column) 90°E and (right column) 150°E. Both fields are bandpass filtered (20-100 days) and averaged between

  5. Morphology controlled synthesis of 2-D Ni-Ni3S2 and Ni3S2 nanostructures on Ni foam towards oxygen evolution reaction

    NASA Astrophysics Data System (ADS)

    Chaudhari, Nitin Kaduba; Oh, Aram; Sa, Young Jin; Jin, Haneul; Baik, Hionsuck; Kim, Sang Gu; Lee, Suk Joong; Joo, Sang Hoon; Lee, Kwangyeol

    2017-03-01

    Catalysts for oxygen evolution reactions (OER) are at the heart of key renewable energy technologies, and development of non-precious metal catalysts with high activity and stability remain a great challenge in this field. Among various material candidates, metal sulfides are receiving increasing attention. While morphology-dependent catalytic performances are well established in noble metal-based catalysts, relatively little is known for the morphology‒catalytic performance relationship in metal sulfide catalysts. In this study, uniform spider web-like Ni nanosheets-Ni3S2 and honeycomb-like Ni3S2 structures are deposited on nickel foam (Ni3S2/NF) by a facile one-step hydrothermal synthetic route. When used as an oxygen evolution electrode, the spider web-like Ni-Ni3S2/NF with the large exposed surface area shown excellent catalytic activity and stability with an overpotential of 310 mV to achieve at 10 mA/cm2 and a Tafel slope of 63 mV/dec in alkaline media, which is superior to the honeycomb-like structure without Ni nanosheet. The low Tafel slope of the spider web-like Ni-Ni3S2/NF represents one of the best OER kinetics among nickel sulfide-based OER catalysts. The results point to the fact that performance of the metal sulfide electrocatalysts might be fine-tuned and optimized with morphological controls.

  6. S-Adenosylmethionine synthetase 3 is important for pollen tube growth

    USDA-ARS?s Scientific Manuscript database

    S-Adenosylmethionine is widely used in a variety of biological reactions and participates in the methionine (Met) metabolic pathway. In Arabidopsis (Arabidopsis thaliana), one of the four S-adenosylmethionine synthetase genes, METHIONINE ADENOSYLTRANSFERASE3 (MAT3), is highly expressed in pollen. He...

  7. [S632A3 promotes LPS-induced IFN-beta production through inhibiting the activation of GSK-3beta].

    PubMed

    Zhang, Na; Yang, Xin; Xu, Rong; Wang, Zhen; Song, Dan-Qing; Li, Dian-Dong; Deng, Hong-Bin

    2013-07-01

    LPS stimulation of macrophages production of IFN-beta plays a key role in innate immunity defending the microbial invasion. In this study, the effect of S632A3 promoting LPS-induced IFN-beta production and the underlying mechanism were investigated, mRNA level was measured by real-time PCR, cytokine production was determined by ELISA, GSK-3beta activity was investigated by kinase assay, protein phosphorylation and expression were evaluated by Western blotting. The results revealed that S632A3 significantly augmented IFN-beta production by LPS-stimulated macrophages. S632A3 inhibition of the activation of GSK-3beta, reduced the threonine 239 phosphorylation of transcription factor c-Jun but increased the total level of c-Jun in LPS-stimulated macrophages. Moreover, small interfering RNA-mediated knockdown of c-Jun level abrogated the ability of S632A3 to augment IFN-beta. The study thus demonstrates S632A3 being a new anti-inflammation lead compound and provides a molecular mechanism by which S632A3 promoted LPS-induced IFN-beta production in macrophages through inhibiting the activation of GSK-3beta.

  8. Measurement of Υ (1 S +2 S +3 S ) production in p +p and Au + Au collisions at √{sNN}=200 GeV

    NASA Astrophysics Data System (ADS)

    Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Al-Bataineh, H.; Al-Ta'Ani, H.; Alexander, J.; Angerami, A.; Aoki, K.; Apadula, N.; Aphecetche, L.; Aramaki, Y.; Asai, J.; Asano, H.; Aschenauer, E. C.; Atomssa, E. T.; Averbeck, R.; Awes, T. C.; Azmoun, B.; Babintsev, V.; Bai, M.; Baksay, G.; Baksay, L.; Baldisseri, A.; Bannier, B.; Barish, K. N.; Barnes, P. D.; Bassalleck, B.; Basye, A. T.; Bathe, S.; Batsouli, S.; Baublis, V.; Baumann, C.; Baumgart, S.; Bazilevsky, A.; Belikov, S.; Belmont, R.; Bennett, R.; Berdnikov, A.; Berdnikov, Y.; Bickley, A. A.; Bing, X.; Blau, D. S.; Boissevain, J. G.; Bok, J. S.; Borel, H.; Boyle, K.; Brooks, M. L.; Buesching, H.; Bumazhnov, V.; Bunce, G.; Butsyk, S.; Camacho, C. M.; Campbell, S.; Castera, P.; Chang, B. S.; Chang, W. C.; Charvet, J.-L.; Chen, C.-H.; Chernichenko, S.; Chi, C. Y.; Chiu, M.; Choi, I. J.; Choi, J. B.; Choi, S.; Choudhury, R. K.; Christiansen, P.; Chujo, T.; Chung, P.; Churyn, A.; Chvala, O.; Cianciolo, V.; Citron, Z.; Cole, B. A.; Connors, M.; Constantin, P.; Csanád, M.; Csörgő, T.; Dahms, T.; Dairaku, S.; Das, K.; Datta, A.; Daugherity, M. S.; David, G.; Denisov, A.; D'Enterria, D.; Deshpande, A.; Desmond, E. J.; Dharmawardane, K. V.; Dietzsch, O.; Ding, L.; Dion, A.; Donadelli, M.; Drapier, O.; Drees, A.; Drees, K. A.; Dubey, A. K.; Durham, J. M.; Durum, A.; Dutta, D.; Dzhordzhadze, V.; D'Orazio, L.; Edwards, S.; Efremenko, Y. V.; Ellinghaus, F.; Engelmore, T.; Enokizono, A.; En'yo, H.; Esumi, S.; Eyser, K. O.; Fadem, B.; Fields, D. E.; Finger, M.; Finger, M.; Fleuret, F.; Fokin, S. L.; Fraenkel, Z.; Frantz, J. E.; Franz, A.; Frawley, A. D.; Fujiwara, K.; Fukao, Y.; Fusayasu, T.; Gainey, K.; Gal, C.; Garishvili, A.; Garishvili, I.; Glenn, A.; Gong, H.; Gong, X.; Gonin, M.; Gosset, J.; Goto, Y.; Granier de Cassagnac, R.; Grau, N.; Greene, S. V.; Grosse Perdekamp, M.; Gunji, T.; Guo, L.; Gustafsson, H.-Å.; Hachiya, T.; Hadj Henni, A.; Haggerty, J. S.; Hahn, K. I.; Hamagaki, H.; Han, R.; Hanks, J.; Hartouni, E. P.; Haruna, K.; Hashimoto, K.; Haslum, E.; Hayano, R.; He, X.; Heffner, M.; Hemmick, T. K.; Hester, T.; Hill, J. C.; Hohlmann, M.; Hollis, R. S.; Holzmann, W.; Homma, K.; Hong, B.; Horaguchi, T.; Hori, Y.; Hornback, D.; Huang, S.; Ichihara, T.; Ichimiya, R.; Iinuma, H.; Ikeda, Y.; Imai, K.; Imrek, J.; Inaba, M.; Iordanova, A.; Isenhower, D.; Ishihara, M.; Isobe, T.; Issah, M.; Isupov, A.; Ivanischev, D.; Ivanishchev, D.; Jacak, B. V.; Javani, M.; Jia, J.; Jiang, X.; Jin, J.; Johnson, B. M.; Joo, K. S.; Jouan, D.; Jumper, D. S.; Kajihara, F.; Kametani, S.; Kamihara, N.; Kamin, J.; Kaneti, S.; Kang, B. H.; Kang, J. H.; Kang, J. S.; Kapustinsky, J.; Karatsu, K.; Kasai, M.; Kawall, D.; Kazantsev, A. V.; Kempel, T.; Khanzadeev, A.; Kijima, K. M.; Kikuchi, J.; Kim, B. I.; Kim, C.; Kim, D. H.; Kim, D. J.; Kim, E.; Kim, E.-J.; Kim, H. J.; Kim, K.-B.; Kim, S. H.; Kim, Y.-J.; Kim, Y. K.; Kinney, E.; Kiriluk, K.; Kiss, Á.; Kistenev, E.; Klatsky, J.; Klay, J.; Klein-Boesing, C.; Kleinjan, D.; Kline, P.; Kochenda, L.; Komatsu, Y.; Komkov, B.; Konno, M.; Koster, J.; Kotchetkov, D.; Kotov, D.; Kozlov, A.; Král, A.; Kravitz, A.; Krizek, F.; Kunde, G. J.; Kurita, K.; Kurosawa, M.; Kweon, M. J.; Kwon, Y.; Kyle, G. S.; Lacey, R.; Lai, Y. S.; Lajoie, J. G.; Layton, D.; Lebedev, A.; Lee, B.; Lee, D. M.; Lee, J.; Lee, K. B.; Lee, K. S.; Lee, S. H.; Lee, S. R.; Lee, T.; Leitch, M. J.; Leite, M. A. L.; Leitgab, M.; Lenzi, B.; Lewis, B.; Li, X.; Liebing, P.; Lim, S. H.; Linden Levy, L. A.; Liška, T.; Litvinenko, A.; Liu, H.; Liu, M. X.; Love, B.; Lynch, D.; Maguire, C. F.; Makdisi, Y. I.; Makek, M.; Malakhov, A.; Malik, M. D.; Manion, A.; Manko, V. I.; Mannel, E.; Mao, Y.; Mašek, L.; Masui, H.; Masumoto, S.; Matathias, F.; McCumber, M.; McGaughey, P. L.; McGlinchey, D.; McKinney, C.; Means, N.; Mendoza, M.; Meredith, B.; Miake, Y.; Mibe, T.; Mignerey, A. C.; Mikeš, P.; Miki, K.; Milov, A.; Mishra, D. K.; Mishra, M.; Mitchell, J. T.; Miyachi, Y.; Miyasaka, S.; Mohanty, A. K.; Moon, H. J.; Morino, Y.; Morreale, A.; Morrison, D. P.; Motschwiller, S.; Moukhanova, T. V.; Mukhopadhyay, D.; Murakami, T.; Murata, J.; Nagae, T.; Nagamiya, S.; Nagle, J. L.; Naglis, M.; Nagy, M. I.; Nakagawa, I.; Nakamiya, Y.; Nakamura, K. R.; Nakamura, T.; Nakano, K.; Nattrass, C.; Nederlof, A.; Newby, J.; Nguyen, M.; Nihashi, M.; Niida, T.; Nouicer, R.; Novitzky, N.; Nyanin, A. S.; O'Brien, E.; Oda, S. X.; Ogilvie, C. A.; Oka, M.; Okada, K.; Onuki, Y.; Oskarsson, A.; Ouchida, M.; Ozawa, K.; Pak, R.; Palounek, A. P. T.; Pantuev, V.; Papavassiliou, V.; Park, B. H.; Park, I. H.; Park, J.; Park, S. K.; Park, W. J.; Pate, S. F.; Patel, L.; Pei, H.; Peng, J.-C.; Pereira, H.; Peresedov, V.; Peressounko, D. Yu.; Petti, R.; Pinkenburg, C.; Pisani, R. P.; Proissl, M.; Purschke, M. L.; Purwar, A. K.; Qu, H.; Rak, J.; Rakotozafindrabe, A.; Ravinovich, I.; Read, K. F.; Rembeczki, S.; Reygers, K.; Reynolds, D.; Riabov, V.; Riabov, Y.; Richardson, E.; Riveli, N.; Roach, D.; Roche, G.; Rolnick, S. D.; Rosati, M.; Rosendahl, S. S. E.; Rosnet, P.; Rukoyatkin, P.; Ružička, P.; Rykov, V. L.; Sahlmueller, B.; Saito, N.; Sakaguchi, T.; Sakai, S.; Sakashita, K.; Samsonov, V.; Sano, M.; Sarsour, M.; Sato, T.; Sawada, S.; Sedgwick, K.; Seele, J.; Seidl, R.; Semenov, A. Yu.; Semenov, V.; Sen, A.; Seto, R.; Sharma, D.; Shein, I.; Shibata, T.-A.; Shigaki, K.; Shimomura, M.; Shoji, K.; Shukla, P.; Sickles, A.; Silva, C. L.; Silvermyr, D.; Silvestre, C.; Sim, K. S.; Singh, B. K.; Singh, C. P.; Singh, V.; Slunečka, M.; Soldatov, A.; Soltz, R. A.; Sondheim, W. E.; Sorensen, S. P.; Soumya, M.; Sourikova, I. V.; Staley, F.; Stankus, P. W.; Stenlund, E.; Stepanov, M.; Ster, A.; Stoll, S. P.; Sugitate, T.; Suire, C.; Sukhanov, A.; Sun, J.; Sziklai, J.; Takagui, E. M.; Takahara, A.; Taketani, A.; Tanabe, R.; Tanaka, Y.; Taneja, S.; Tanida, K.; Tannenbaum, M. J.; Tarafdar, S.; Taranenko, A.; Tarján, P.; Tennant, E.; Themann, H.; Thomas, T. L.; Todoroki, T.; Togawa, M.; Toia, A.; Tomášek, L.; Tomášek, M.; Tomita, Y.; Torii, H.; Towell, R. S.; Tram, V.-N.; Tserruya, I.; Tsuchimoto, Y.; Tsuji, T.; Vale, C.; Valle, H.; van Hecke, H. W.; Vargyas, M.; Vazquez-Zambrano, E.; Veicht, A.; Velkovska, J.; Vértesi, R.; Vinogradov, A. A.; Virius, M.; Vossen, A.; Vrba, V.; Vznuzdaev, E.; Wang, X. R.; Watanabe, D.; Watanabe, K.; Watanabe, Y.; Watanabe, Y. S.; Wei, F.; Wei, R.; Wessels, J.; Whitaker, S.; White, S. N.; Winter, D.; Wolin, S.; Woody, C. L.; Wysocki, M.; Xie, W.; Yamaguchi, Y. L.; Yamaura, K.; Yang, R.; Yanovich, A.; Ying, J.; Yokkaichi, S.; You, Z.; Young, G. R.; Younus, I.; Yushmanov, I. E.; Zajc, W. A.; Zaudtke, O.; Zelenski, A.; Zhang, C.; Zhou, S.; Zolin, L.; Phenix Collaboration

    2015-02-01

    Measurements of bottomonium production in heavy-ion and p +p collisions at the Relativistic Heavy Ion Collider (RHIC) are presented. The inclusive yield of the three Υ states, Υ (1 S +2 S +3 S ) , was measured in the PHENIX experiment via electron-positron decay pairs at midrapidity for Au +Au and p +p collisions at √{sNN}=200 GeV. The Υ (1 S +2 S +3 S ) →e+e- differential cross section at midrapidity was found to be Beed σ /d y =108 ±38 (stat) ±15 (syst) ±11 (luminosity) pb in p +p collisions. The nuclear modification factor in the 30% most central Au +Au collisions indicates a suppression of the total Υ state yield relative to the extrapolation from p +p collision data. The suppression is consistent with measurements made by STAR at RHIC and at higher energies by the CMS experiment at the Large Hadron Collider.

  9. Digital relief generation from 3D models

    NASA Astrophysics Data System (ADS)

    Wang, Meili; Sun, Yu; Zhang, Hongming; Qian, Kun; Chang, Jian; He, Dongjian

    2016-09-01

    It is difficult to extend image-based relief generation to high-relief generation, as the images contain insufficient height information. To generate reliefs from three-dimensional (3D) models, it is necessary to extract the height fields from the model, but this can only generate bas-reliefs. To overcome this problem, an efficient method is proposed to generate bas-reliefs and high-reliefs directly from 3D meshes. To produce relief features that are visually appropriate, the 3D meshes are first scaled. 3D unsharp masking is used to enhance the visual features in the 3D mesh, and average smoothing and Laplacian smoothing are implemented to achieve better smoothing results. A nonlinear variable scaling scheme is then employed to generate the final bas-reliefs and high-reliefs. Using the proposed method, relief models can be generated from arbitrary viewing positions with different gestures and combinations of multiple 3D models. The generated relief models can be printed by 3D printers. The proposed method provides a means of generating both high-reliefs and bas-reliefs in an efficient and effective way under the appropriate scaling factors.

  10. Status of surface-water modeling in the U.S. Geological Survey

    USGS Publications Warehouse

    Jennings, Marshall E.; Yotsukura, Nobuhiro

    1979-01-01

    The U.S. Geological Survey is active in the development and use of models for the analysis of various types of surface-water problems. Types of problems for which models have been, or are being developed, include categories such as the following: (1)specialized hydraulics, (2)flow routing in streams, estuaries, lakes, and reservoirs, (3) sedimentation, (4) transport of physical, chemical, and biological constituents, (5) surface exchange of heat and mass, (6) coupled stream-aquifer flow systems, (7) physical hydrology for rainfall-runoff relations, stream-system simulations, channel geometry, and water quality, (8) statistical hydrology for synthetic streamflows, floods, droughts, storage, and water quality, (9) management and operation problems, and (10) miscellaneous hydrologic problems. Following a brief review of activities prior to 1970, the current status of surface-water modeling is given as being in a developmental, verification, operational, or continued improvement phase. A list of recently published selected references, provides useful details on the characteristics of models.

  11. TESTING U.S. EPA'S ISCST -VERSION 3 MODEL ON DIOXINS: A COMPARISON OF PREDICTED AND OBSERVED AIR AND SOIL CONCENTRATIONS

    EPA Science Inventory

    The central purpose of our study was to examine the performance of the United States Environmental Protection Agency's (EPA) nonreactive Gaussian air quality dispersion model, the Industrial Source Complex Short Term Model (ISCST3) Version 98226, in predicting polychlorinated dib...

  12. An ab initio variationally computed room-temperature line list for (32)S(16)O3.

    PubMed

    Underwood, Daniel S; Tennyson, Jonathan; Yurchenko, Sergei N

    2013-07-07

    Ab initio potential energy and dipole moment surfaces are computed for sulfur trioxide (SO3) at the CCSD(T)-F12b level of theory with appropriate triple-zeta basis sets. The analytical representations of these surfaces are used, with a slight correction, to compute pure rotational and rotation-vibration spectra of (32)S(16)O3 using the variational nuclear motion program TROVE. The calculations considered transitions in the region 0-4000 cm(-1) with rotational states up to J = 85. The resulting line list of 174,674,257 transitions is appropriate for modelling room temperature (32)S(16)O3 spectra. Good agreement is found with the observed infrared absorption spectra and the calculations are used to place the measured relative intensities on an absolute scale. A list of 10,878 experimental transitions is provided in a form suitable for inclusion in standard atmospheric and planetary spectroscopic databases.

  13. Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Walen, Holly, E-mail: hwalen@iastate.edu; Liu, Da-Jiang; Oh, Junepyo

    Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed clean surface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, derivedmore » using a limited cluster expansion based on density functional theory energetics. Models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.« less

  14. Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Walen, Holly; Liu, Da -Jiang; Oh, Junepyo

    Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed cleansurface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, we derivedmore » using a limited cluster expansion based on density functional theory energetics. Furthermore, models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.« less

  15. Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

    DOE PAGES

    Walen, Holly; Liu, Da -Jiang; Oh, Junepyo; ...

    2015-07-06

    Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed cleansurface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, we derivedmore » using a limited cluster expansion based on density functional theory energetics. Furthermore, models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.« less

  16. Self-organization of S adatoms on Au(111): √3R30° rows at low coverage.

    PubMed

    Walen, Holly; Liu, Da-Jiang; Oh, Junepyo; Lim, Hyunseob; Evans, J W; Kim, Yousoo; Thiel, P A

    2015-07-07

    Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed clean surface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, derived using a limited cluster expansion based on density functional theory energetics. Models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.

  17. S-Wave Velocity Models Under the Saudi Arabian Portable Broadband Deployment: Evidence for Lithospheric Erosion Beneath the Arabian Shield

    NASA Astrophysics Data System (ADS)

    Julià, J.; Ammon, C. J.; Herrmann, R. B.

    2002-12-01

    Models of crustal evolution strongly rely on our knowledge on the mineralogical composition of subsurface rocks, as well as pressure and temperature conditions. Direct sampling of subsurface rocks is often not possible, so that constraints have to be placed from indirect estimates of rock properties. Detailed seismic imaging of subsurface rocks has the potential for providing such constraints, and probe the extent at depth of surface geologic observations. In this study, we provide detailed S-wave velocity profiles for the crust and uppermost mantle beneath the Saudi Arabian Portable Broadband Deployment stations. Seismic velocities have been estimated from the joint inversion of receiver functions and fundamental mode group velocities. Receiver functions are sensitive to S-wave velocity contrasts and vertical travel times, and surface-wave dispersion is sensitive to vertical S-wave velocity averages, so that their combination bridge resolution gaps associated with each individual data set. Our resulting models correlate well with surface geology observations in the Arabian Shield and characterize its terranes at depth: the Asir terrane consists of a 10-km thick upper crust of 3.3~km/s overlying a lower crust with shear-wave velocities of 3.7-3.8 km/s; the Afif terrane is made of a 20-km thick upper crust with average velocity of 3.6 km/s and a lower crust with a shear-velocity of about 3.8~km/s; the Nabitah mobile belt has a gradational, 15-km thick upper crust up to 3.6 km/s overlying a gradational lower crust with velocities up to 4.0 km/s. The crust-mantle transition is sharper in terranes of continental affinity and more gradational beneath terranes of oceanic affinity. In the uppermost mantle, our models suggest a thin lid between up to 50-60 km depth overlying a low velocity zone beneath station TAIF, located close to a region of upwelling mantle material. Temperatures in the lid are estimated to be about 1000 C, which are in good agreement with independent

  18. Integration of 3D photogrammetric outcrop models in the reservoir modelling workflow

    NASA Astrophysics Data System (ADS)

    Deschamps, Remy; Joseph, Philippe; Lerat, Olivier; Schmitz, Julien; Doligez, Brigitte; Jardin, Anne

    2014-05-01

    3D technologies are now widely used in geosciences to reconstruct outcrops in 3D. The technology used for the 3D reconstruction is usually based on Lidar, which provides very precise models. Such datasets offer the possibility to build well-constrained outcrop analogue models for reservoir study purposes. The photogrammetry is an alternate methodology which principles are based in determining the geometric properties of an object from photographic pictures taken from different angles. Outcrop data acquisition is easy, and this methodology allows constructing 3D outcrop models with many advantages such as: - light and fast acquisition, - moderate processing time (depending on the size of the area of interest), - integration of field data and 3D outcrops into the reservoir modelling tools. Whatever the method, the advantages of digital outcrop model are numerous as already highlighted by Hodgetts (2013), McCaffrey et al. (2005) and Pringle et al. (2006): collection of data from otherwise inaccessible areas, access to different angles of view, increase of the possible measurements, attributes analysis, fast rate of data collection, and of course training and communication. This paper proposes a workflow where 3D geocellular models are built by integrating all sources of information from outcrops (surface picking, sedimentological sections, structural and sedimentary dips…). The 3D geomodels that are reconstructed can be used at the reservoir scale, in order to compare the outcrop information with subsurface models: the detailed facies models of the outcrops are transferred into petrophysical and acoustic models, which are used to test different scenarios of seismic and fluid flow modelling. The detailed 3D models are also used to test new techniques of static reservoir modelling, based either on geostatistical approaches or on deterministic (process-based) simulation techniques. A modelling workflow has been designed to model reservoir geometries and properties from

  19. Extended behavioural device modelling and circuit simulation with Qucs-S

    NASA Astrophysics Data System (ADS)

    Brinson, M. E.; Kuznetsov, V.

    2018-03-01

    Current trends in circuit simulation suggest a growing interest in open source software that allows access to more than one simulation engine while simultaneously supporting schematic drawing tools, behavioural Verilog-A and XSPICE component modelling, and output data post-processing. This article introduces a number of new features recently implemented in the 'Quite universal circuit simulator - SPICE variant' (Qucs-S), including structure and fundamental schematic capture algorithms, at the same time highlighting their use in behavioural semiconductor device modelling. Particular importance is placed on the interaction between Qucs-S schematics, equation-defined devices, SPICE B behavioural sources and hardware description language (HDL) scripts. The multi-simulator version of Qucs is a freely available tool that offers extended modelling and simulation features compared to those provided by legacy circuit simulators. The performance of a number of Qucs-S modelling extensions are demonstrated with a GaN HEMT compact device model and data obtained from tests using the Qucs-S/Ngspice/Xyce ©/SPICE OPUS multi-engine circuit simulator.

  20. Aeroelastic Analyses of the SemiSpan SuperSonic Transport (S4T) Wind Tunnel Model at Mach 0.95

    NASA Technical Reports Server (NTRS)

    Hur, Jiyoung

    2014-01-01

    Detailed aeroelastic analyses of the SemiSpan SuperSonic Transport (S4T) wind tunnel model at Mach 0.95 with a 1.75deg fixed angle of attack are presented. First, a numerical procedure using the Computational Fluids Laboratory 3-Dimensional (CFL3D) Version 6.4 flow solver is investigated. The mesh update method for structured multi-block grids was successfully applied to the Navier-Stokes simulations. Second, the steady aerodynamic analyses with a rigid structure of the S4T wind tunnel model are reviewed in transonic flow. Third, the static analyses were performed for both the Euler and Navier-Stokes equations. Both the Euler and Navier-Stokes equations predicted a significant increase of lift forces, compared to the results from the rigid structure of the S4T wind-tunnel model, over various dynamic pressures. Finally, dynamic aeroelastic analyses were performed to investigate the flutter condition of the S4T wind tunnel model at the transonic Mach number. The condition of flutter was observed at a dynamic pressure of approximately 75.0-psf for the Navier-Stokes simulations. However, it was observed that the flutter condition occurred a dynamic pressure of approximately 47.27-psf for the Euler simulations. Also, the computational efficiency of the aeroelastic analyses for the S4T wind tunnel model has been assessed.

  1. Effective collision strengths for forbidden transitions among the 3s23p3 fine-structure levels of CL IIIIII

    NASA Astrophysics Data System (ADS)

    Ramsbottom, C. A.; Bell, K. L.; Keenan, F. P.

    1999-08-01

    Effective collision strengths for the 10 astrophysically important fine-structure forbidden transitions among the ^4S^o, ^2D^o and ^2P^o levels in the 3s^23p^3 configuration of Cliii are presented. The calculation employs the multichannel R-matrix method to compute the electron-impact excitation collision strengths in a close-coupling expansion, which incorporates the lowest 23 LS target eigenstates of Cliii. These states are formed from the 3s^23p^3, 3s3p^4, 3s^23p^23d and 3s^23p^24s configurations. The Maxwellian-averaged effective collision strengths are presented graphically for all 10 fine-structure transitions over a wide range of electron temperatures appropriate for astrophysical applications [logT(K)=3.3-logT(K)=5.9]. Comparisons are made with the earlier seven-state close-coupling calculation of Butler & Zeippen, and in general excellent agreement is found in the low-temperature region where a comparison is possible [logT(K)=3.3-logT(K)=4.7]. However, discrepancies of up to 30 per cent are found to occur for the forbidden transitions which involve the ^4S^o ground state level, particularly for the lowest temperatures considered. At the higher temperatures, the present data are the only reliable results currently available.

  2. Periodic perturbations in Shaker K+ channel gating kinetics by deletions in the S3S4 linker

    PubMed Central

    Gonzalez, Carlos; Rosenman, Eduardo; Bezanilla, Francisco; Alvarez, Osvaldo; Latorre, Ramon

    2001-01-01

    Upon depolarization positive charges contained in the transmembrane segment S4 of voltage-dependent channels are displaced from the cytoplasmic to the external milieu. This charge movement leads to channel opening. In Shaker K+ channels four positively charged arginines in the S4 domain are transferred from the internal to the external side of the channel during activation. The distance traveled by the S4 segment during activation is unknown, but large movements should be constrained by the S3S4 linker. Constructing deletion mutants, we show that the activation time constant and the midpoint of the voltage activation curve of the Shaker K+ channel macroscopic currents becomes a periodic function of the S3S4 linker length for linkers shorter than 7 aa residues. The periodicity is that typical of α-helices. Moreover, a linker containing only 3 aa is enough to recover the wild-type phenotype. The deletion method revealed the importance of the S3S4 linker in determining the channel gating kinetics and indicated that the α-helical nature of S4 extends toward its N terminus. These results support the notion that a small displacement of the S4 segment suffices to displace the four gating charges involved in channel opening. PMID:11493701

  3. Identification and electrophysiological studies of (4 S,5 S)-5-hydroxy-4-methyl-3-heptanone and 4-methyl-3,5-heptanedione in male lucerne weevils

    NASA Astrophysics Data System (ADS)

    Unelius, C. R.; Park, K.-C.; McNeill, M.; Wee, S. L.; Bohman, B.; Suckling, D. M.

    2013-02-01

    An investigation to identify a sex or aggregation pheromone of Sitona discoideus Gyllenhål (Coleoptera: Curculionidae) is presented. Antenna flicking and attraction behaviors evoked by conspecifics of both sexes were recorded in arena bioassays, where attraction of females to males was observed. Air entrainment of both males and females was conducted in separate chambers. Gas chromatographic-mass spectrometric analysis of headspace volatiles revealed that two male-specific compounds, 4-methyl-3,5-heptanedione (major) and (4 S,5 S)-5-hydroxy-4-methyl-3-heptanone (minor), were emitted during the autumnal post-aestivatory flight period. The stereoisomers of the minor component were separated by enantioselective gas chromatography and their absolute configurations assigned by NMR (diastereomers) and the known preference of enantioselective transesterification reactions catalyzed by Candida antarctica lipase B. Electroantennogram and single sensillum recording studies indicate that 4-methyl-3,5-heptanedione as well as all individual stereoisomers of 5-hydroxy-4-methyl-3-heptanone are detected by the antennae of male and female S. discoideus. Further, single sensillum recordings suggest that both sexes of S. discoideus have specialized olfactory receptor neurons (ORNs) for detecting 4-methyl-3,5-heptanedione and different populations of stereoselective ORNs for detecting the stereoisomers of 5-hydroxy-4-methyl-3-heptanone. Some of these stereoselective ORNs appear to be sex-specific in S. discoideus.

  4. xHMMER3x2: Utilizing HMMER3's speed and HMMER2's sensitivity and specificity in the glocal alignment mode for improved large-scale protein domain annotation.

    PubMed

    Yap, Choon-Kong; Eisenhaber, Birgit; Eisenhaber, Frank; Wong, Wing-Cheong

    2016-11-29

    While the local-mode HMMER3 is notable for its massive speed improvement, the slower glocal-mode HMMER2 is more exact for domain annotation by enforcing full domain-to-sequence alignments. Since a unit of domain necessarily implies a unit of function, local-mode HMMER3 alone remains insufficient for precise function annotation tasks. In addition, the incomparable E-values for the same domain model by different HMMER builds create difficulty when checking for domain annotation consistency on a large-scale basis. In this work, both the speed of HMMER3 and glocal-mode alignment of HMMER2 are combined within the xHMMER3x2 framework for tackling the large-scale domain annotation task. Briefly, HMMER3 is utilized for initial domain detection so that HMMER2 can subsequently perform the glocal-mode, sequence-to-full-domain alignments for the detected HMMER3 hits. An E-value calibration procedure is required to ensure that the search space by HMMER2 is sufficiently replicated by HMMER3. We find that the latter is straightforwardly possible for ~80% of the models in the Pfam domain library (release 29). However in the case of the remaining ~20% of HMMER3 domain models, the respective HMMER2 counterparts are more sensitive. Thus, HMMER3 searches alone are insufficient to ensure sensitivity and a HMMER2-based search needs to be initiated. When tested on the set of UniProt human sequences, xHMMER3x2 can be configured to be between 7× and 201× faster than HMMER2, but with descending domain detection sensitivity from 99.8 to 95.7% with respect to HMMER2 alone; HMMER3's sensitivity was 95.7%. At extremes, xHMMER3x2 is either the slow glocal-mode HMMER2 or the fast HMMER3 with glocal-mode. Finally, the E-values to false-positive rates (FPR) mapping by xHMMER3x2 allows E-values of different model builds to be compared, so that any annotation discrepancies in a large-scale annotation exercise can be flagged for further examination by dissectHMMER. The xHMMER3x2 workflow allows

  5. Sandia’s Current Energy Conversion module for the Flexible-Mesh Delft3D flow solver v. 1.0

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chartand, Chris; Jagers, Bert

    The DOE has funded Sandia National Labs (SNL) to develop an open-source modeling tool to guide the design and layout of marine hydrokinetic (MHK) arrays to maximize power production while minimizing environmental effects. This modeling framework simulates flows through and around a MHK arrays while quantifying environmental responses. As an augmented version of the Dutch company, Deltares’s, environmental hydrodynamics code, Delft3D, SNL-Delft3D-CEC-FM includes a new module that simulates energy conversion (momentum withdrawal) by MHK current energy conversion devices with commensurate changes in the turbulent kinetic energy and its dissipation rate. SNL-Delft3D-CEC-FM modified the Delft3D flexible mesh flow solver, DFlowFM.

  6. Linear and nonlinear optical properties of α-K2Hg3Ge2S8 and α-K2Hg3Sn2S8 compounds

    NASA Astrophysics Data System (ADS)

    Reshak, A. H.; Azam, Sikander

    2014-11-01

    The linear and nonlinear optical properties of α-K2Hg3Ge2S8 and α-K2Hg3Sn2S8 compounds are performed using the first-principles calculations. Particularly, we appraised the optical dielectric function and the second-harmonic generation (SHG) response. We have analyzed the linear optical properties, i.e. the real and imaginary part of the dielectric tensor, the reflectivity, refractive index, extension coefficient and energy loss function. The linear optical properties show a considerable anisotropy which is important for SHG as it is defined by the phase-matching condition. The scrutiny of the roles of diverse transitions to the SHG coefficients demonstrates that the virtual electron process is foremost. The features in the spectra of χ322(2)(ω) are successfully interrelated with the character of the linear dielectric function ε(ω) in terms of single-photon and two-photon resonances. In additional, we have calculated the first hyperpolarizability, βijk, for the dominant component at the static limit for the for α-K2Hg3Ge2S8 and α-K2Hg3Sn2S8 compounds. The calculated values of β322(ω) are 2.28 × 10-30 esu for α-K2Hg3Ge2S8 and 3.69 × 10-30 esu for α-K2Hg3Sn2S8.

  7. Automated 3D Damaged Cavity Model Builder for Lower Surface Acreage Tile on Orbiter

    NASA Technical Reports Server (NTRS)

    Belknap, Shannon; Zhang, Michael

    2013-01-01

    The 3D Automated Thermal Tool for Damaged Acreage Tile Math Model builder was developed to perform quickly and accurately 3D thermal analyses on damaged lower surface acreage tiles and structures beneath the damaged locations on a Space Shuttle Orbiter. The 3D model builder created both TRASYS geometric math models (GMMs) and SINDA thermal math models (TMMs) to simulate an idealized damaged cavity in the damaged tile(s). The GMMs are processed in TRASYS to generate radiation conductors between the surfaces in the cavity. The radiation conductors are inserted into the TMMs, which are processed in SINDA to generate temperature histories for all of the nodes on each layer of the TMM. The invention allows a thermal analyst to create quickly and accurately a 3D model of a damaged lower surface tile on the orbiter. The 3D model builder can generate a GMM and the correspond ing TMM in one or two minutes, with the damaged cavity included in the tile material. A separate program creates a configuration file, which would take a couple of minutes to edit. This configuration file is read by the model builder program to determine the location of the damage, the correct tile type, tile thickness, structure thickness, and SIP thickness of the damage, so that the model builder program can build an accurate model at the specified location. Once the models are built, they are processed by the TRASYS and SINDA.

  8. Long-range magnetic order and interchain interactions in the S = 2 chain system MnCl 3 (bpy)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fishman, Randy S.; Shinozaki, Shin-ichi; Okutani, Akira

    Here,more » a compound with very weakly interacting chains, MnCl 3(bpy), has attracted a great deal of attention as a possible S = 2 Haldane chain. However, long-range magnetic order of the chains prevents the Haldane gap from developing below 11.5 K. Based on a four-sublattice model, a description of the antiferromagnetic resonance (AFMR) spectrum up to frequencies of 1.5 THz and magnetic fields up to 50 T indicates that the interchain coupling is indeed quite small but that the Dzaloshinskii-Moriya interaction produced by broken inversion symmetry is substantial (0.12 meV). In addition, the antiferromagnetic, nearest-neighbor interaction within each chain (3.3 meV) is significantly stronger than previously reported. The excitation spectrum of this S = 2 compound is well described by a 1/S expansion about the classical limit.« less

  9. Long-range magnetic order and interchain interactions in the S = 2 chain system MnCl 3 (bpy)

    DOE PAGES

    Fishman, Randy S.; Shinozaki, Shin-ichi; Okutani, Akira; ...

    2016-09-28

    Here,more » a compound with very weakly interacting chains, MnCl 3(bpy), has attracted a great deal of attention as a possible S = 2 Haldane chain. However, long-range magnetic order of the chains prevents the Haldane gap from developing below 11.5 K. Based on a four-sublattice model, a description of the antiferromagnetic resonance (AFMR) spectrum up to frequencies of 1.5 THz and magnetic fields up to 50 T indicates that the interchain coupling is indeed quite small but that the Dzaloshinskii-Moriya interaction produced by broken inversion symmetry is substantial (0.12 meV). In addition, the antiferromagnetic, nearest-neighbor interaction within each chain (3.3 meV) is significantly stronger than previously reported. The excitation spectrum of this S = 2 compound is well described by a 1/S expansion about the classical limit.« less

  10. MoSeS: Modelling and Simulation for e-Social Science.

    PubMed

    Townend, Paul; Xu, Jie; Birkin, Mark; Turner, Andy; Wu, Belinda

    2009-07-13

    MoSeS (Modelling and Simulation for e-Social Science) is a research node of the National Centre for e-Social Science. MoSeS uses e-Science techniques to execute an events-driven model that simulates discrete demographic processes; this allows us to project the UK population 25 years into the future. This paper describes the architecture, simulation methodology and latest results obtained by MoSeS.

  11. Measurement of the Υ ( 1 S ) , Υ ( 2 S ) , and Υ ( 3 S ) cross sections in pp collisions at s = 7   TeV

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.

    Themore » $$\\Upsilon$$(1S), $$\\Upsilon$$(2S), and $$\\Upsilon$$(3S) production cross sections are measured using a data sample corresponding to an integrated luminosity of 35.8 $$\\pm$$ 1.4 inverse picobarns of proton-proton collisions at $$\\sqrt{s}$$ = 7 TeV, collected with the CMS detector at the LHC. Upsilon resonances are identified through their decays to dimuons. Integrated over the $$\\Upsilon$$ transverse momentum range $$p_{t}^{\\Upsilon} \\lt$$ 50GeV and rapidity range |$$y^\\Upsilon$$| $$\\lt$$ 2.4, and assuming unpolarized Upsilon production, the products of the Upsilon production cross sections and dimuon branching fractions are \\begin{equation*}\\sigma(pp \\to \\Upsilon(1S) X) . B(\\Upsilon(1S) \\to \\mu^+ \\mu^-) = (8.55 \\pm 0.05^{+0.56}_{-0.50} \\pm 0.34) nb,\\end{equation*} \\begin{equation*}\\sigma(pp \\to \\Upsilon(2S) X) . B(\\Upsilon(2S) \\to \\mu^+ \\mu^-) = (2.21 \\pm 0.03^{+0.16}_{-0.14} \\pm 0.09) nb,\\end{equation*} \\begin{equation*}\\sigma(pp \\to \\Upsilon(3S) X) . B(\\Upsilon(3S) \\to \\mu^+ \\mu^-) = (1.11 \\pm 0.02^{+0.10}_{-0.08} \\pm 0.04) nb, \\end{equation*} where the first uncertainty is statistical, the second is systematic, and the third is from the uncertainty in the integrated luminosity. differential cross sections in bins of transverse momentum and rapidity, and the cross section ratios are presented. Cross section measurements performed within a restricted muon kinematic range and not corrected for acceptance are also provided. These latter measurements are independent of Upsilon polarization assumptions. results are compared to theoretical predictions and previous measurements.« less

  12. The inverse podant [Li3(NBut)3S)]+ stabilises a single ethylene oxide OCH=CH2 anion as a high- and low-temperature polymorph of [(thf)3Li3(OCH=CH2)(NBut)3S)].

    PubMed

    Walfort, B; Pandey, S K; Stalke, D

    2001-09-07

    A single ethylene oxide anion derived from the ether cleavage reaction of thf with ButLi is stabilised by the inverse podant [Li3(NBut)3S)]+ to give a high- and a low-temperature polymorph with a considerable difference in conformation and packing.

  13. Phosphate Flow between Hybrid Histidine Kinases CheA3 and CheS3 Controls Rhodospirillum centenum Cyst Formation

    PubMed Central

    He, Kuang; Marden, Jeremiah N.; Quardokus, Ellen M.; Bauer, Carl E.

    2013-01-01

    Genomic and genetic analyses have demonstrated that many species contain multiple chemotaxis-like signal transduction cascades that likely control processes other than chemotaxis. The Che3 signal transduction cascade from Rhodospirillum centenum is one such example that regulates development of dormant cysts. This Che-like cascade contains two hybrid response regulator-histidine kinases, CheA3 and CheS3, and a single-domain response regulator CheY3. We demonstrate that cheS3 is epistatic to cheA3 and that only CheS3∼P can phosphorylate CheY3. We further show that CheA3 derepresses cyst formation by phosphorylating a CheS3 receiver domain. These results demonstrate that the flow of phosphate as defined by the paradigm E. coli chemotaxis cascade does not necessarily hold true for non-chemotactic Che-like signal transduction cascades. PMID:24367276

  14. Absolute emission cross sections for electron capture reactions of C2+, N3+, N4+ and O3+ ions in collisions with Li(2s) atoms

    NASA Astrophysics Data System (ADS)

    Rieger, G.; Pinnington, E. H.; Ciubotariu, C.

    2000-12-01

    Absolute photon emission cross sections following electron capture reactions have been measured for C2+, N3+, N4+ and O3+ ions colliding with Li(2s) atoms at keV energies. The results are compared with calculations using the extended classical over-the-barrier model by Niehaus. We explore the limits of our experimental method and present a detailed discussion of experimental errors.

  15. Soft chemical synthesis of Ag{sub 3}SbS{sub 3} with efficient and recyclable visible light photocatalytic properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gusain, Meenakshi; Rawat, Pooja; Nagarajan, Rajamani, E-mail: rnagarajan@chemistry.du.ac.in

    2014-12-15

    Highlights: • Highly crystalline Ag{sub 3}SbS{sub 3} synthesized using soft chemical approach. • First time report of photocatalytic activity of Ag{sub 3}SbS{sub 3}. • Ag{sub 3}SbS{sub 3} degraded the harmful organic dyes rapidly under visible radiation. • Pseudo first order kinetics have been followed in these sets of reactions. • Up to 90% of Methylene Blue degraded even after 4th cycle of catalyst reuse. • Structure of catalyst is intact after reuse. • As the catalyst is heavy, its separation after use is quite simple. - Abstract: Application of Ag{sub 3}SbS{sub 3}, obtained by soft chemical approach involving rapid reactionmore » of air stable metal–thiourea complexes in ethylene glycol medium, as visible light photocatalyst for the degradation of dye solutions was investigated. Ag{sub 3}SbS{sub 3} was confirmed by high resolution powder X-ray diffraction pattern and its no defined morphology was present in SEM images. From UV–vis spectroscopy measurements, optical band gap of 1.77 eV was deduced for Ag{sub 3}SbS{sub 3}. Rapid degradation kinetics and recyclability was exhibited by Ag{sub 3}SbS{sub 3} towards Methylene Blue, Methyl Orange, Malachite Green, and Rhodamine 6G dye solutions under visible radiation. All these processes followed pseudo first order kinetics. High surface area (6.39 m{sup 2}/g), with mesopores (3.81 nm), arising from solvent mediated synthesis of Ag{sub 3}SbS{sub 3} has been correlated to its catalytic activity.« less

  16. Path-Dependent Travel Time Prediction Variance and Covariance for a Global Tomographic P- and S-Velocity Model

    NASA Astrophysics Data System (ADS)

    Hipp, J. R.; Ballard, S.; Begnaud, M. L.; Encarnacao, A. V.; Young, C. J.; Phillips, W. S.

    2015-12-01

    Recently our combined SNL-LANL research team has succeeded in developing a global, seamless 3D tomographic P- and S-velocity model (SALSA3D) that provides superior first P and first S travel time predictions at both regional and teleseismic distances. However, given the variable data quality and uneven data sampling associated with this type of model, it is essential that there be a means to calculate high-quality estimates of the path-dependent variance and covariance associated with the predicted travel times of ray paths through the model. In this paper, we describe a methodology for accomplishing this by exploiting the full model covariance matrix and show examples of path-dependent travel time prediction uncertainty computed from our latest tomographic model. Typical global 3D SALSA3D models have on the order of 1/2 million nodes, so the challenge in calculating the covariance matrix is formidable: 0.9 TB storage for 1/2 of a symmetric matrix, necessitating an Out-Of-Core (OOC) blocked matrix solution technique. With our approach the tomography matrix (G which includes a prior model covariance constraint) is multiplied by its transpose (GTG) and written in a blocked sub-matrix fashion. We employ a distributed parallel solution paradigm that solves for (GTG)-1 by assigning blocks to individual processing nodes for matrix decomposition update and scaling operations. We first find the Cholesky decomposition of GTG which is subsequently inverted. Next, we employ OOC matrix multiplication methods to calculate the model covariance matrix from (GTG)-1 and an assumed data covariance matrix. Given the model covariance matrix, we solve for the travel-time covariance associated with arbitrary ray-paths by summing the model covariance along both ray paths. Setting the paths equal and taking the square root yields the travel prediction uncertainty for the single path.

  17. The Rapid Response Radiation Survey (R3S) Mission Using the HiSat Conformal Satellite Architecture

    NASA Technical Reports Server (NTRS)

    Miller, Nathanael A.; Norman, Ryan B.; Soto, Hector L.; Stewart, Victor A.; Jones, Mark L.; Kowalski, Matthew C.; Ben Shabat, Adam; Gough, Kerry M.; Stavely, Rebecca L.; Shim, Alex C.; hide

    2015-01-01

    The Rapid Response Radiation Survey (R3S) experiment, designed as a quick turnaround mission to make radiation measurements in Low Earth Orbit (LEO), will fly as a hosted payload in partnership with NovaWurks using their Hyper-integrated Satlet (HISat) architecture. The need for the mission arises as the Nowcast of Atmospheric Ionization Radiation for Aviation Safety (NAIRAS) model moves from a research effort into an operational radiation assessment tool. Currently, airline professionals are the second largest demographic of radiation workers and to date their radiation exposure is undocumented in the USA. The NAIRAS model seeks to fill this information gap. The data collected by R3S, in addition to the complementary data from a NASA Langley Research Center (LaRC) atmospheric balloon mission entitled Radiation Dosimetry Experiment (RaD-X), will validate exposure prediction capabilities of NAIRAS. The R3S mission collects total dose and radiation spectrum measurements using a Teledyne µDosimeter and a Liulin-6SA2 LED spectrometer. These two radiation sensors provide a cross correlated radiometric measurement in combination with the Honeywell HMR2300 Smart Digital Magnetometer. The magnetometer assesses the Earth's magnetic field in the LEO environment and allows radiation dose to be mapped as a function of the Earth's magnetic shielding. R3S is also unique in that the radiation sensors will be exposed on the outer surface of the spacecraft, possibly making this the first measurements of the LEO radiation environment with bare sensors. Viability of R3S as an extremely fast turnaround mission is due, in part, to the nature of the robust, well-defined interfaces of the conformal satellite HiSat Architecture. The HiSat architecture, which was developed with the support of the Defense Advanced Research Projects Agency's (DARPA's) Phoenix Program, enabled the R3S system to advance from the first concept to delivery of preliminary design review (PDR) level documents in

  18. Fate and transport modeling of selected chlorinated organic compounds at Operable Unit 3, U.S. Naval Air Station, Jacksonville, Florida

    USGS Publications Warehouse

    Davis, J. Hal

    2000-01-01

    Ground water contaminated by the chlorinated organic compounds trichloroethene (TCE), cis-dichloroethene (DCE), and vinyl chloride (VC) has been found in the surficial aquifer beneath the Naval Aviation Depot at the U.S. Naval Air Station, Jacksonville, Florida. The affected area is designated Operable Unit 3 (OU3) and covers 134 acres adjacent to the St. Johns River. Site-specific ground-water flow modeling was conducted at OU3 using MODFLOW, and solute-transport modeling was conducted using MT3DMS. Simulations using a low dispersivity value, which resulted in the highest concentration discharging to the St. Johns River, gave the following results. At 60 years traveltime, the highest concentration of TCE associated with the Area C plume had discharged to St. Johns River at a level that exceeded 1x103 micrograms per liter (ug/L). At 100 years traveltime, the highest concentration of TCE associated with the Area D plume had discharged to the river at a level exceeding 3x103 ug/L. At 200 years traveltime, the Area B plume had not begun discharging to the river. Simulations using a first-order decay rate half-life of 13.5 years (the slowest documented) at Area G caused the TCE to degrade before reaching the St. Johns River. If the ratio of the concentrations of TCE to cis-DCE and VC remained relatively constant, these breakdown products would not reach the river. However, the actual breakdown rates of cis-DCE and VC are unknown. Simulations were repeated using average dispersivity values with the following results. At 60 years traveltime, the highest concentration of TCE associated with the Area C plume had discharged to St. Johns River at a level exceeding 4x102 ug/L. At 100 years traveltime, the highest concentration of TCE associated with the Area D plume had discharged to the river at a level exceeding 1x103 ug/L. At 200 years traveltime, the Area B plume had not begun discharging to the river. 'Pump and treat' was simulated as a remedial alternative. The

  19. Band structure and orbital character of monolayer MoS2 with eleven-band tight-binding model

    NASA Astrophysics Data System (ADS)

    Shahriari, Majid; Ghalambor Dezfuli, Abdolmohammad; Sabaeian, Mohammad

    2018-02-01

    In this paper, based on a tight-binding (TB) model, first we present the calculations of eigenvalues as band structure and then present the eigenvectors as probability amplitude for finding electron in atomic orbitals for monolayer MoS2 in the first Brillouin zone. In these calculations we are considering hopping processes between the nearest-neighbor Mo-S, the next nearest-neighbor in-plan Mo-Mo, and the next nearest-neighbor in-plan and out-of-plan S-S atoms in a three-atom based unit cell of two-dimensional rhombic MoS2. The hopping integrals have been solved in terms of Slater-Koster and crystal field parameters. These parameters are calculated by comparing TB model with the density function theory (DFT) in the high-symmetry k-points (i.e. the K- and Γ-points). In our TB model all the 4d Mo orbitals and the 3p S orbitals are considered and detailed analysis of the orbital character of each energy level at the main high-symmetry points of the Brillouin zone is described. In comparison with DFT calculations, our results of TB model show a very good agreement for bands near the Fermi level. However for other bands which are far from the Fermi level, some discrepancies between our TB model and DFT calculations are observed. Upon the accuracy of Slater-Koster and crystal field parameters, on the contrary of DFT, our model provide enough accuracy to calculate all allowed transitions between energy bands that are very crucial for investigating the linear and nonlinear optical properties of monolayer MoS2.

  20. 3D P and S Wave Velocity Structure and Tremor Locations in the Parkfield Region

    NASA Astrophysics Data System (ADS)

    Zeng, X.; Thurber, C. H.; Shelly, D. R.; Bennington, N. L.; Cochran, E. S.; Harrington, R. M.

    2014-12-01

    We have assembled a new dataset to refine the 3D seismic velocity model in the Parkfield region. The S arrivals from 184 earthquakes recorded by the Parkfield Experiment to Record MIcroseismicity and Tremor array (PERMIT) during 2010-2011 were picked by a new S wave picker, which is based on machine learning. 74 blasts have been assigned to four quarries, whose locations were identified with Google Earth. About 1000 P and S wave arrivals from these blasts at permanent seismic network were also incorporated. Low frequency earthquakes (LFEs) occurring within non-volcanic tremor (NVT) are valuable for improving the precision of NVT location and the seismic velocity model at greater depths. Based on previous work (Shelley and Hardebeck, 2010), waveforms of hundreds of LFEs in same family were stacked to improve signal qualify. In a previous study (McClement et al., 2013), stacked traces of more than 30 LFE families at the Parkfileld Array Seismic Observatory (PASO) have been picked. We expanded our work to include LFEs recorded by the PERMIT array. The time-frequency Phase Weight Stacking (tf-PWS) method was introduced to improve the stack quality, as direct stacking does not produce clear S-wave arrivals on the PERMIT stations. This technique uses the coherence of the instantaneous phase among the stacked signals to enhance the signal-to-noise ratio (SNR) of the stack. We found that it is extremely effective for picking LFE arrivals (Thurber et al., 2014). More than 500 P and about 1000 S arrivals from 58 LFE families were picked at the PERMIT and PASO arrays. Since the depths of LFEs are much deeper than earthquakes, we are able to extend model resolution to lower crustal depths. Both P and S wave velocity structure have been obtained with the tomoDD method. The result suggests that there is a low velocity zone (LVZ) in the lower crust and the location of the LVZ is consistent with the high conductivity zone beneath the southern segment of the Rinconada fault that

  1. Naturally tuned quantum critical point in the S =1 kagomé YCa3(VO) 3(BO3)4

    NASA Astrophysics Data System (ADS)

    Silverstein, Harlyn J.; Sinclair, Ryan; Sharma, Arzoo; Qiu, Yiming; Heinmaa, Ivo; Leitmäe, Alexander; Wiebe, Christopher R.; Stern, Raivo; Zhou, Haidong

    2018-04-01

    Although S =1 /2 kagomé systems have been intensely studied theoretically, and within the past decade been realized experimentally, much less is known about the S =1 analogs. While the theoretical ground state is still under debate, it has been found experimentally that S =1 kagomé systems either order at low temperatures or enter a spin glass state. In this work, YCa3(VO) 3(BO3)4 (YCVBO) is presented, with trivalent vanadium. Owing to its unusual crystal structure, the metal-metal bonding is highly connected along all three crystallographic directions, atypical of other kagomé materials. Using neutron scattering it is shown that YCVBO fails to order down to at least 50 mK and exhibits broad and dispersionless excitations. 11B NMR provides evidence of fluctuating spins at low temperatures while dc magnetization shows critical scaling that is also observed in systems near a quantum critical point such as Herbertsmithite, despite its insulating nature and S =1 magnetism. The evidence shown indicates that YCVBO is naturally tuned to be a quantum disordered magnet in the limit of T =0 K.

  2. AgS2O6CF3: the first trifluoromethylsulfonylsulfate(VI).

    PubMed

    Malinowski, Przemysław J; Derzsi, Mariana; Grochala, Wojciech

    2013-08-07

    We describe the synthetic route towards a novel class of salts, trifluoromethylsulfonylsulfates, as exemplified by the silver(I) derivative (AgS2O6CF3). Formation proceeds via direct reaction between a triflate precursor, AgSO3CF3, and SO3. The title compound crystallizes in the P2(1)/c unit cell with a = 5.15746(14) Å, b = 25.8563(9) Å, c = 5.53970(14) Å and β = 101.1749(19)°. The structure is layered with the puckered [AgS2O6] 2D sheets; the terminal CF3 groups are separated by the van der Waals gap, as seen also for related metal triflates. The compound is very fragile thermally and it decomposes endothermally to AgSO3CF3 with concomitant evolution of SO3 even at 65 °C or upon grinding in an agate mortar; thus it may serve as a solid store of--otherwise volatile and corrosive--SO3. The IR and Raman spectra of AgS2O6CF3 have been tentatively assigned based on similarities to those of related Ag2S2O7 and AgSO3CF3 and phonon calculations. Synthesis and properties of KS2O6CF3 are also briefly described.

  3. Application and evaluation of two air quality models for particulate matter for a southeastern U.S. episode.

    PubMed

    Zhang, Yang; Pun, Betty; Wu, Shiang-Yuh; Vijayaraghavan, Krish; Seigneur, Christian

    2004-12-01

    The Models-3 Community Multiscale Air Quality (CMAQ) Modeling System and the Particulate Matter Comprehensive Air Quality Model with extensions (PMCAMx) were applied to simulate the period June 29-July 10, 1999, of the Southern Oxidants Study episode with two nested horizontal grid sizes: a coarse resolution of 32 km and a fine resolution of 8 km. The predicted spatial variations of ozone (O3), particulate matter with an aerodynamic diameter less than or equal to 2.5 microm (PM2.5), and particulate matter with an aerodynamic diameter less than or equal to 10 microm (PM10) by both models are similar in rural areas but differ from one another significantly over some urban/suburban areas in the eastern and southern United States, where PMCAMx tends to predict higher values of O3 and PM than CMAQ. Both models tend to predict O3 values that are higher than those observed. For observed O3 values above 60 ppb, O3 performance meets the U.S. Environmental Protection Agency's criteria for CMAQ with both grids and for PMCAMx with the fine grid only. It becomes unsatisfactory for PMCAMx and marginally satisfactory for CMAQ for observed O3 values above 40 ppb. Both models predict similar amounts of sulfate (SO4(2-)) and organic matter, and both predict SO4(2-) to be the largest contributor to PM2.5. PMCAMx generally predicts higher amounts of ammonium (NH4+), nitrate (NO3-), and black carbon (BC) than does CMAQ. PM performance for CMAQ is generally consistent with that of other PM models, whereas PMCAMx predicts higher concentrations of NO3-, NH4+, and BC than observed, which degrades its performance. For PM10 and PM2.5 predictions over the southeastern U.S. domain, the ranges of mean normalized gross errors (MNGEs) and mean normalized bias are 37-43% and -33-4% for CMAQ and 50-59% and 7-30% for PMCAMx. Both models predict the largest MNGEs for NO3- (98-104% for CMAQ 138-338% for PMCAMx). The inaccurate NO3- predictions by both models may be caused by the inaccuracies in the

  4. Mid-infrared emissions of Pr{sup 3+}-doped GeS{sub 2}–Ga{sub 2}S{sub 3}–CdI{sub 2} chalcohalide glasses

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lu, Chunfeng; Guo, Haitao, E-mail: guoht_001@opt.ac.cn; Xu, Yantao

    2014-12-15

    Graphical abstract: ∼4.6 μm mid-infrared fluorescence emission from Pr{sup 3+} in the sulfide glass is successfully observed at room temperature excited by a 2.01 μm Tm{sup 3+}:YAG ceramic laser system. - Highlights: • Serial Pr{sup 3+}-doped GeS{sub 2}–Ga{sub 2}S{sub 3}–CdI{sub 2} chalcohalide glasses were synthesized. • ∼4.6 μm mid-infrared fluorescence from Pr{sup 3+} was observed at room temperature. • The compositional dependence of luminescence properties was studied. • Radiative properties have been determined using the Judd–Ofelt theory. - Abstract: For elucidation of the glass composition’s influence on the spectroscopic properties in the chalcohalide system and the discovery of a newmore » material for applications in mid-infrared fiber-lasers, a serial Pr{sup 3+}-doped (100 − x)(0.8GeS{sub 2}·0.2Ga{sub 2}S{sub 3})xCdI{sub 2} (x = 5, 10, 15 and 20) chalcohalide glasses were prepared. ∼4.6 μm mid-infrared fluorescence emission from Pr{sup 3+} in the sulfide glass is successfully observed at room temperature excited by a 2.01 μm Tm{sup 3+}:YAG ceramic laser system, and the effective line-width of fluorescence band is 106–227 nm. Intense compositional dependence of mid-infrared emissions is found. The radiative rates of Pr{sup 3+} ions in these glasses were calculated by using the Judd–Ofelt theory.« less

  5. SALSA3D: A Tomographic Model of Compressional Wave Slowness in the Earth’s Mantle for Improved Travel-Time Prediction and Travel-Time Prediction Uncertainty

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ballard, Sanford; Hipp, James R.; Begnaud, Michael L.

    The task of monitoring the Earth for nuclear explosions relies heavily on seismic data to detect, locate, and characterize suspected nuclear tests. In this study, motivated by the need to locate suspected explosions as accurately and precisely as possible, we developed a tomographic model of the compressional wave slowness in the Earth’s mantle with primary focus on the accuracy and precision of travel-time predictions for P and Pn ray paths through the model. Path-dependent travel-time prediction uncertainties are obtained by computing the full 3D model covariance matrix and then integrating slowness variance and covariance along ray paths from source tomore » receiver. Path-dependent travel-time prediction uncertainties reflect the amount of seismic data that was used in tomography with very low values for paths represented by abundant data in the tomographic data set and very high values for paths through portions of the model that were poorly sampled by the tomography data set. The pattern of travel-time prediction uncertainty is a direct result of the off-diagonal terms of the model covariance matrix and underscores the importance of incorporating the full model covariance matrix in the determination of travel-time prediction uncertainty. In addition, the computed pattern of uncertainty differs significantly from that of 1D distance-dependent travel-time uncertainties computed using traditional methods, which are only appropriate for use with travel times computed through 1D velocity models.« less

  6. SALSA3D: A Tomographic Model of Compressional Wave Slowness in the Earth’s Mantle for Improved Travel-Time Prediction and Travel-Time Prediction Uncertainty

    DOE PAGES

    Ballard, Sanford; Hipp, James R.; Begnaud, Michael L.; ...

    2016-10-11

    The task of monitoring the Earth for nuclear explosions relies heavily on seismic data to detect, locate, and characterize suspected nuclear tests. In this study, motivated by the need to locate suspected explosions as accurately and precisely as possible, we developed a tomographic model of the compressional wave slowness in the Earth’s mantle with primary focus on the accuracy and precision of travel-time predictions for P and Pn ray paths through the model. Path-dependent travel-time prediction uncertainties are obtained by computing the full 3D model covariance matrix and then integrating slowness variance and covariance along ray paths from source tomore » receiver. Path-dependent travel-time prediction uncertainties reflect the amount of seismic data that was used in tomography with very low values for paths represented by abundant data in the tomographic data set and very high values for paths through portions of the model that were poorly sampled by the tomography data set. The pattern of travel-time prediction uncertainty is a direct result of the off-diagonal terms of the model covariance matrix and underscores the importance of incorporating the full model covariance matrix in the determination of travel-time prediction uncertainty. In addition, the computed pattern of uncertainty differs significantly from that of 1D distance-dependent travel-time uncertainties computed using traditional methods, which are only appropriate for use with travel times computed through 1D velocity models.« less

  7. Physical properties of glasses in the Ag2GeS3-AgBr system

    NASA Astrophysics Data System (ADS)

    Moroz, M. V.; Demchenko, P. Yu.; Prokhorenko, S. V.; Moroz, V. M.

    2013-08-01

    Glasses have been prepared by quenching melts in the Ag2GeS3-AgBr system in a range of 0-53 mol % AgBr. The concentration dependences of density, microhardness, glass transition temperatures, and crystallization of alloys have been established. The conductivity of glasses has been investigated by the dc probe method in a range of 240-420 K. The models of the drift motion of silver and halogen ions have been proposed.

  8. Measurement of cytotoxicity and irritancy potential of sugar-based surfactants on skin-related 3D models.

    PubMed

    Lu, Biao; Miao, Yong; Vigneron, Pascale; Chagnault, Vincent; Grand, Eric; Wadouachi, Anne; Postel, Denis; Pezron, Isabelle; Egles, Christophe; Vayssade, Muriel

    2017-04-01

    Sugar-based surfactants present surface-active properties and relatively low cytotoxicity. They are often considered as safe alternatives to currently used surfactants in cosmetic industries. In this study, four sugar-based surfactants, each with an eight carbon alkyl chain bound to a glucose or a maltose headgroup through an amide linkage, were synthesized and compared to two standard surfactants. The cytotoxic and irritant effects of surfactants were evaluated using two biologically relevant models: 3D dermal model (mouse fibroblasts embedded in collagen gel) and reconstituted human epidermis (RHE, multi-layered human keratinocytes). Results show that three synthesized surfactants possess lower cytotoxicity compared to standard surfactants as demonstrated in the 3D dermal model. Moreover, the IC50s of surfactants against the 3D dermal model are higher than IC50s obtained with the 2D dermal model (monolayer mouse fibroblasts). Both synthesized and standard surfactants show no irritant effects after 48h of topical application on RHE. Throughout the study, we demonstrate the difficulty to link the physico-chemical properties of surfactants and their cytotoxicity in complex models. More importantly, our data suggest that, prior to in vivo tests, a complete understanding of surfactant cytotoxicity or irritancy potential requires a combination of cellular and tissue models. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. S1-S3 counter charges in the voltage sensor module of a mammalian sodium channel regulate fast inactivation.

    PubMed

    Groome, James R; Winston, Vern

    2013-05-01

    The movement of positively charged S4 segments through the electric field drives the voltage-dependent gating of ion channels. Studies of prokaryotic sodium channels provide a mechanistic view of activation facilitated by electrostatic interactions of negatively charged residues in S1 and S2 segments, with positive counterparts in the S4 segment. In mammalian sodium channels, S4 segments promote domain-specific functions that include activation and several forms of inactivation. We tested the idea that S1-S3 countercharges regulate eukaryotic sodium channel functions, including fast inactivation. Using structural data provided by bacterial channels, we constructed homology models of the S1-S4 voltage sensor module (VSM) for each domain of the mammalian skeletal muscle sodium channel hNaV1.4. These show that side chains of putative countercharges in hNaV1.4 are oriented toward the positive charge complement of S4. We used mutagenesis to define the roles of conserved residues in the extracellular negative charge cluster (ENC), hydrophobic charge region (HCR), and intracellular negative charge cluster (INC). Activation was inhibited with charge-reversing VSM mutations in domains I-III. Charge reversal of ENC residues in domains III (E1051R, D1069K) and IV (E1373K, N1389K) destabilized fast inactivation by decreasing its probability, slowing entry, and accelerating recovery. Several INC mutations increased inactivation from closed states and slowed recovery. Our results extend the functional characterization of VSM countercharges to fast inactivation, and support the premise that these residues play a critical role in domain-specific gating transitions for a mammalian sodium channel.

  10. Frequency-domain optical tomographic image reconstruction algorithm with the simplified spherical harmonics (SP3) light propagation model.

    PubMed

    Kim, Hyun Keol; Montejo, Ludguier D; Jia, Jingfei; Hielscher, Andreas H

    2017-06-01

    We introduce here the finite volume formulation of the frequency-domain simplified spherical harmonics model with n -th order absorption coefficients (FD-SP N ) that approximates the frequency-domain equation of radiative transfer (FD-ERT). We then present the FD-SP N based reconstruction algorithm that recovers absorption and scattering coefficients in biological tissue. The FD-SP N model with 3 rd order absorption coefficient (i.e., FD-SP 3 ) is used as a forward model to solve the inverse problem. The FD-SP 3 is discretized with a node-centered finite volume scheme and solved with a restarted generalized minimum residual (GMRES) algorithm. The absorption and scattering coefficients are retrieved using a limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) algorithm. Finally, the forward and inverse algorithms are evaluated using numerical phantoms with optical properties and size that mimic small-volume tissue such as finger joints and small animals. The forward results show that the FD-SP 3 model approximates the FD-ERT (S 12 ) solution within relatively high accuracy; the average error in the phase (<3.7%) and the amplitude (<7.1%) of the partial current at the boundary are reported. From the inverse results we find that the absorption and scattering coefficient maps are more accurately reconstructed with the SP 3 model than those with the SP 1 model. Therefore, this work shows that the FD-SP 3 is an efficient model for optical tomographic imaging of small-volume media with non-diffuse properties both in terms of computational time and accuracy as it requires significantly lower CPU time than the FD-ERT (S 12 ) and also it is more accurate than the FD-SP 1 .

  11. New insights into the pharmacokinetics and metabolism of (R,S)-ifosfamide in cancer patients using a population pharmacokinetic-metabolism model.

    PubMed

    Di Marco, M P; Wainer, I W; Granvil, C L; Batist, G; Ducharme, M P

    2000-06-01

    To describe the pharmacokinetics of R- and S-Ifosfamide (IFF), and their respective 2 and 3 N-dechloroethylated (DCE) metabolites (R2-, R3-, S2, S3-DCE-IFF) in cancer patients. (R,S)-IFF was administered (1.5 g/m2) daily for 5 days in 13 cancer patients. Plasma and urine samples were collected and analyzed using an enantioselective GC-MS method. An average of 97 observations per patient were simultaneously fitted using a pharmacokinetic-metabolism (PK-MB) model. A population PK analysis was performed using an iterative 2-stage method (IT2S). Auto-induction of IFF metabolism was observed over the 5 day period. Increases were seen in IFF clearance (R: 4 vs. 7 L/h; S: 5 vs. 10 L/h), and in the formation of DCE (R: 7 vs. 9%; S: 14 vs. 19%) and active metabolites (4-OHM-IFF; R: 71 vs. 77%; S: 67 vs. 71%). A novel finding of this analysis was that the renal excretion of the DCE metabolites was also induced. This population PK-MB model for (R,S)-IFF may be useful in the optimization of patient care, and gives new insight into the metabolism of (R,S)-IFF.

  12. Capabilities of a Global 3D MHD Model for Monitoring Extremely Fast CMEs

    NASA Astrophysics Data System (ADS)

    Wu, C. C.; Plunkett, S. P.; Liou, K.; Socker, D. G.; Wu, S. T.; Wang, Y. M.

    2015-12-01

    Since the start of the space era, spacecraft have recorded many extremely fast coronal mass ejections (CMEs) which have resulted in severe geomagnetic storms. Accurate and timely forecasting of the space weather effects of these events is important for protecting expensive space assets and astronauts and avoiding communications interruptions. Here, we will introduce a newly developed global, three-dimensional (3D) magnetohydrodynamic (MHD) model (G3DMHD). The model takes the solar magnetic field maps at 2.5 solar radii (Rs) and intepolates the solar wind plasma and field out to 18 Rs using the algorithm of Wang and Sheeley (1990, JGR). The output is used as the inner boundary condition for a 3D MHD model. The G3DMHD model is capable of simulating (i) extremely fast CME events with propagation speeds faster than 2500 km/s; and (ii) multiple CME events in sequence or simultaneously. We will demonstrate the simulation results (and comparison with in-situ observation) for the fastest CME in record on 23 July 2012, the shortest transit time in March 1976, and the well-known historic Carrington 1859 event.

  13. Study of radially excited Ds(21 S 0) and Ds(3P)

    NASA Astrophysics Data System (ADS)

    Tian, Yu; Zhao, Ze; Zhang, Ai-Lin

    2017-08-01

    The unobserved JP = 0- radial excitation Ds(21 S 0) is anticipated to have mass 2650 MeV (denoted as Ds(2650)). Study of hadronic production is an important way to identify highly excited states. We study hadronic production of Ds(2650) from higher excited resonances in a 3 P 0 model. Relevant hadronic partial decay widths are found to be very small, which implies it is difficult to observe Ds(2650) in hadronic decays of higher excited resonances. Hadronic decay widths of radially excited Ds(3P) have also been estimated. The total decay widths of four Ds(3P) are large, but the branching ratios in the Ds(2650)η channel are very small, which implies that it seems impossible to observe Ds(2650) in hadronic decays of Ds(3P). The dominant decay channels of the four Ds(3P) have been pointed out, and D1(2420), D1(2430), , D(2550), D(2600), (11D2)D(2750) and are possible to observe in hadronic production from Ds(3P). Supported by National Natural Science Foundation of China (11475111)

  14. Advanced Multivariate Inversion Techniques for High Resolution 3D Geophysical Modeling (Invited)

    NASA Astrophysics Data System (ADS)

    Maceira, M.; Zhang, H.; Rowe, C. A.

    2009-12-01

    We focus on the development and application of advanced multivariate inversion techniques to generate a realistic, comprehensive, and high-resolution 3D model of the seismic structure of the crust and upper mantle that satisfies several independent geophysical datasets. Building on previous efforts of joint invesion using surface wave dispersion measurements, gravity data, and receiver functions, we have added a fourth dataset, seismic body wave P and S travel times, to the simultaneous joint inversion method. We present a 3D seismic velocity model of the crust and upper mantle of northwest China resulting from the simultaneous, joint inversion of these four data types. Surface wave dispersion measurements are primarily sensitive to seismic shear-wave velocities, but at shallow depths it is difficult to obtain high-resolution velocities and to constrain the structure due to the depth-averaging of the more easily-modeled, longer-period surface waves. Gravity inversions have the greatest resolving power at shallow depths, and they provide constraints on rock density variations. Moreover, while surface wave dispersion measurements are primarily sensitive to vertical shear-wave velocity averages, body wave receiver functions are sensitive to shear-wave velocity contrasts and vertical travel-times. Addition of the fourth dataset, consisting of seismic travel-time data, helps to constrain the shear wave velocities both vertically and horizontally in the model cells crossed by the ray paths. Incorporation of both P and S body wave travel times allows us to invert for both P and S velocity structure, capitalizing on empirical relationships between both wave types’ seismic velocities with rock densities, thus eliminating the need for ad hoc assumptions regarding the Poisson ratios. Our new tomography algorithm is a modification of the Maceira and Ammon joint inversion code, in combination with the Zhang and Thurber TomoDD (double-difference tomography) program.

  15. 3D WHOLE-PROMINENCE FINE STRUCTURE MODELING

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gunár, Stanislav; Mackay, Duncan H.

    2015-04-20

    We present the first 3D whole-prominence fine structure model. The model combines a 3D magnetic field configuration of an entire prominence obtained from nonlinear force-free field simulations, with a detailed description of the prominence plasma. The plasma is located in magnetic dips in hydrostatic equilibrium and is distributed along multiple fine structures within the 3D magnetic model. Through the use of a novel radiative transfer visualization technique for the Hα line such plasma-loaded magnetic field model produces synthetic images of the modeled prominence comparable with high-resolution observations. This allows us for the first time to use a single technique tomore » consistently study, in both emission on the limb and absorption against the solar disk, the fine structures of prominences/filaments produced by a magnetic field model.« less

  16. 3D printed simulation models based on real patient situations for hands-on practice.

    PubMed

    Kröger, E; Dekiff, M; Dirksen, D

    2017-11-01

    During the last few years, the curriculum of many dentistry schools in Germany has been reorganised. Two key aspects of the applied changes are the integration of up-to-date teaching methods and the promotion of interdisciplinarity. To support these efforts, an approach to fabricating individualised simulation models for hands-on courses employing 3D printing is presented. The models are based on real patients, thus providing students a more realistic preparation for real clinical situations. As a wide variety of dental procedures can be implemented, the simulation models can also contribute to a more interdisciplinary dental education. The data used for the construction of the models were acquired by 3D surface scanning. The data were further processed with 3D modelling software. Afterwards, the models were fabricated by 3D printing with the PolyJet technique. Three models serve as examples: a prosthodontic model for training veneer preparation, a conservative model for practicing dental bonding and an interdisciplinary model featuring carious teeth and an insufficient crown. The third model was evaluated in a hands-on course with 22 fourth-year dental students. The students answered a questionnaire and gave their personal opinion. Whilst the concept of the model received very positive feedback, some aspects of the implementation were criticised. We discuss these observations and suggest ways for further improvement. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  17. Structures of exocyclic R,R- and S,S-N(6),N(6)-(2,3-dihydroxybutan-1,4-diyl)-2'-deoxyadenosine adducts induced by 1,2,3,4-diepoxybutane.

    PubMed

    Kowal, Ewa A; Seneviratne, Uthpala; Wickramaratne, Susith; Doherty, Kathleen E; Cao, Xiangkun; Tretyakova, Natalia; Stone, Michael P

    2014-05-19

    1,3-Butadiene (BD) is an industrial and environmental chemical present in urban air and cigarette smoke, and is classified as a human carcinogen. It is oxidized by cytochrome P450 to form 1,2,3,4-diepoxybutane (DEB); DEB bis-alkylates the N(6) position of adenine in DNA. Two enantiomers of bis-N(6)-dA adducts of DEB have been identified: R,R-N(6),N(6)-(2,3-dihydroxybutan-1,4-diyl)-2'-deoxyadenosine (R,R-DHB-dA), and S,S-N(6),N(6)-(2,3-dihydroxybutan-1,4-diyl)-2'-deoxyadenosine (S,S-DHB-dA) [ Seneviratne , U. , Antsypovich , S. , Dorr , D. Q. , Dissanayake , T. , Kotapati , S. , and Tretyakova , N. ( 2010 ) Chem. Res. Toxicol. 23 , 1556 -1567 ]. Herein, the R,R-DHB-dA and S,S-DHB-dA adducts have been incorporated into the 5'-d(C(1)G(2)G(3)A(4)C(5)X(6)A(7)G(8)A(9)A(10)G(11))-3':5'-d(C(12)T(13)T(14)C(15)T(16)T(17)G(18)T(19)C(20)C(21)G(22))-3' duplex [X(6) = R,R-DHB-dA (R(6)) or S,S-DHB-dA (S(6))]. The structures of the duplexes were determined by molecular dynamics calculations, which were restrained by experimental distances obtained from NMR data. Both the R,R- and S,S-DHB-dA adducts are positioned in the major groove of DNA. In both instances, the bulky 3,4-dihydroxypyrrolidine rings are accommodated by an out-of-plane rotation about the C6-N(6) bond of the bis-alkylated adenine. In both instances, the directionality of the dihydroxypyrrolidine ring is evidenced by the pattern of NOEs between the 3,4-dihydroxypyrrolidine protons and DNA. Also in both instances, the anti conformation of the glycosyl bond is maintained, which combined with the out-of-plane rotation about the C6-N(6) bond, allows the complementary thymine, T(17), to remain stacked within the duplex, and form one hydrogen bond with the modified base, between the imine nitrogen of the modified base and the T(17) N3H imino proton. The loss of the second Watson-Crick hydrogen bonding interaction at the lesion sites correlates with the lower thermal stabilities of the R,R- and S,S-DHB-dA duplexes, as

  18. Crystallization behavior of the Li2S-P2S5 glass electrolyte in the LiNi1/3Mn1/3Co1/3O2 positive electrode layer.

    PubMed

    Tsukasaki, Hirofumi; Mori, Yota; Otoyama, Misae; Yubuchi, So; Asano, Takamasa; Tanaka, Yoshinori; Ohno, Takahisa; Mori, Shigeo; Hayashi, Akitoshi; Tatsumisago, Masahiro

    2018-04-18

    Sulfide-based all-solid-state lithium batteries are a next-generation power source composed of the inorganic solid electrolytes which are incombustible and have high ionic conductivity. Positive electrode composites comprising LiNi 1/3 Mn 1/3 Co 1/3 O 2 (NMC) and 75Li 2 S·25P 2 S 5 (LPS) glass electrolytes exhibit excellent charge-discharge cycle performance and are promising candidates for realizing all-solid-state batteries. The thermal stabilities of NMC-LPS composites have been investigated by transmission electron microscopy (TEM), which indicated that an exothermal reaction could be attributed to the crystallization of the LPS glass. To further understand the origin of the exothermic reaction, in this study, the precipitated crystalline phase of LPS glass in the NMC-LPS composite was examined. In situ TEM observations revealed that the β-Li 3 PS 4 precipitated at approximately 200 °C, and then Li 4 P 2 S 6 and Li 2 S precipitated at approximately 400 °C. Because the Li 4 P 2 S 6 and Li 2 S crystalline phases do not precipitate in the single LPS glass, the interfacial contact between LPS and NMC has a significant influence on both the LPS crystallization behavior and the exothermal reaction in the NMC-LPS composites.

  19. Phase-field based Multiscale Modeling of Heterogeneous Solid Electrolytes: Applications to Nanoporous Li 3 PS 4

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hu, Jia-Mian; Wang, Bo; Ji, Yanzhou

    Modeling the effective ion conductivities of heterogeneous solid electrolytes typically involves the use of a computer-generated microstructure consisting of randomly or uniformly oriented fillers in a matrix. But, the structural features of the filler/matrix interface, which critically determine the interface ion conductivity and the microstructure morphology, have not been considered during the microstructure generation. In using nanoporous β-Li 3PS 4 electrolyte as an example, we develop a phase-field model that enables generating nanoporous microstructures of different porosities and connectivity patterns based on the depth and the energy of the surface (pore/electrolyte interface), both of which are predicted through density functionalmore » theory (DFT) calculations. Room-temperature effective ion conductivities of the generated microstructures are then calculated numerically, using DFT-estimated surface Li-ion conductivity (3.14×10 -3 S/cm) and experimentally measured bulk Li-ion conductivity (8.93×10 -7 S/cm) of β-Li 3PS 4 as the inputs. We also use the generated microstructures to inform effective medium theories to rapidly predict the effective ion conductivity via analytical calculations. Furthemore, when porosity approaches the percolation threshold, both the numerical and analytical methods predict a significantly enhanced Li-ion conductivity (1.74×10 -4 S/cm) that is in good agreement with experimental data (1.64×10 -4 S/cm). The present phase-field based multiscale model is generally applicable to predict both the microstructure patterns and the effective properties of heterogeneous solid electrolytes.« less

  20. Phase-field based Multiscale Modeling of Heterogeneous Solid Electrolytes: Applications to Nanoporous Li 3 PS 4

    DOE PAGES

    Hu, Jia-Mian; Wang, Bo; Ji, Yanzhou; ...

    2017-09-07

    Modeling the effective ion conductivities of heterogeneous solid electrolytes typically involves the use of a computer-generated microstructure consisting of randomly or uniformly oriented fillers in a matrix. But, the structural features of the filler/matrix interface, which critically determine the interface ion conductivity and the microstructure morphology, have not been considered during the microstructure generation. In using nanoporous β-Li 3PS 4 electrolyte as an example, we develop a phase-field model that enables generating nanoporous microstructures of different porosities and connectivity patterns based on the depth and the energy of the surface (pore/electrolyte interface), both of which are predicted through density functionalmore » theory (DFT) calculations. Room-temperature effective ion conductivities of the generated microstructures are then calculated numerically, using DFT-estimated surface Li-ion conductivity (3.14×10 -3 S/cm) and experimentally measured bulk Li-ion conductivity (8.93×10 -7 S/cm) of β-Li 3PS 4 as the inputs. We also use the generated microstructures to inform effective medium theories to rapidly predict the effective ion conductivity via analytical calculations. Furthemore, when porosity approaches the percolation threshold, both the numerical and analytical methods predict a significantly enhanced Li-ion conductivity (1.74×10 -4 S/cm) that is in good agreement with experimental data (1.64×10 -4 S/cm). The present phase-field based multiscale model is generally applicable to predict both the microstructure patterns and the effective properties of heterogeneous solid electrolytes.« less