A Survey on Node Clustering in Cognitive Radio Wireless Sensor Networks.

PubMed

Joshi, Gyanendra Prasad; Kim, Sung Won

2016-09-10

Cognitive radio wireless sensor networks (CR-WSNs) have attracted a great deal of attention recently due to the emerging spectrum scarcity issue. This work attempts to provide a detailed analysis of the role of node clustering in CR-WSNs. We outline the objectives, requirements, and advantages of node clustering in CR-WSNs. We describe how a CR-WSN with node clustering differs from conventional wireless sensor networks, and we discuss its characteristics, architecture, and topologies. We survey the existing clustering algorithms and compare their objectives and features. We suggest how clustering issues and challenges can be handled.

Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF

NASA Astrophysics Data System (ADS)

Koukounas, Constantine; Kardahakis, Stavros; Mavridis, Aristides

2004-06-01

The electronic structure of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF was examined by multireference and coupled cluster methods in conjunction with extended basis sets. For a total of 34 states we report binding energies, spectroscopic constants, dipole moments, separation energies, and charge distributions. In addition, for all states we have constructed full potential curves. The suggested ground state binding energies of TiF(X 4Φ), VF(X 5Π), CrF(X 6Σ+), and MnF(X 7Σ+) are 135, 130, 110, and 108 kcal/mol, respectively, with first excited states A 4Σ-, A 5Δ, A 6Π, and a 5Σ+ about 2, 3, 23, and 19 kcal/mol higher. In essence all our numerical findings are in harmony with experimental results. For all molecules and states studied it is clear that the in situ metal atom (M) shows highly ionic character, therefore the binding is described realistically by M+F-.

Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF.

PubMed

Koukounas, Constantine; Kardahakis, Stavros; Mavridis, Aristides

2004-06-22

The electronic structure of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF was examined by multireference and coupled cluster methods in conjunction with extended basis sets. For a total of 34 states we report binding energies, spectroscopic constants, dipole moments, separation energies, and charge distributions. In addition, for all states we have constructed full potential curves. The suggested ground state binding energies of TiF(X (4)Phi), VF(X (5)Pi), CrF(X (6)Sigma(+)), and MnF(X (7)Sigma(+)) are 135, 130, 110, and 108 kcal/mol, respectively, with first excited states A (4)Sigma(-), A (5)Delta, A (6)Pi, and a (5)Sigma(+) about 2, 3, 23, and 19 kcal/mol higher. In essence all our numerical findings are in harmony with experimental results. For all molecules and states studied it is clear that the in situ metal atom (M) shows highly ionic character, therefore the binding is described realistically by M(+)F(-). (c) 2004 American Institute of Physics.

Synthesis of sub-micro-flakes CrSe2 on glass and (110) Si substrates by solvothermal method

NASA Astrophysics Data System (ADS)

Tang, Qingkai; Liu, Changyou; Zhang, Binbin; Jie, Wanqi

2018-06-01

Layered structure MX2 (M = transition metal, X = S, Se and Te) chalcogenides have rich physic properties and potential applications. While it is still a challenge to prepare the chalcogenides by solvothermal method. In this work, we reported a new solution method to prepare CrSe2 sub-micro-flakes on different substrates. The surface morphologies, structures and compositions of the precursor CrSe2(en)1/2 and CrSe2 were investigated by SEM, XRD, thermogravimetric, IR and Raman spectra. The CrSe2 flakes with the sizes of 5-15 μm were obtained on both glass and (110) Si crystalline substrates. The formation mechanism of CrSe2 sub-micro-flakes is suggested.

In Situ Molecular Imaging of the Biofilm and Its Matrix

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

Ding, Yuanzhao; Zhou, Yufan; Yao, Juan

2016-11-15

Molecular mapping of live biofilms at submicron resolution presents a grand challenge. Here, we present the first chemical mapping results of biofilm extracellular polymeric sub-stance (EPS) components in biofilms using correlative imaging be-tween super resolution florescence microscopy and liquid time-of-flight secondary ion mass spectrometry (ToF-SIMS). Shewanella oneidensis is used as a model organism. Heavy metal anions chro-mate (Cr2O72-) consisting of chromium Cr (VI) was a model envi-ronmental stressor used to treat the biofilms. Of particular interest, biologically relevant water clusters have been first observed in the biofilms. Characteristic fragments of biofilm matrix components such as proteins, polysaccharides, and lipids canmore » be spatially im-aged. Furthermore, characteristic fatty acids (e.g., palmitic acid), quinolone signal, and riboflavin fragments are found to respond af-ter the biofilm is treated with Cr (VI), leading to biofilm dispersion. Significant changes in water clusters and quorum sensing signals indicative of intercellular communication in the aqueous environ-ment are observed, suggesting that they might result in fatty acid synthesis and inhibit riboflavin production. The Cr (VI) reduction seems to follow the Mtr pathway leading to Cr (III) formation. Our approach potentially opens a new avenue for mechanistic insight of microbial community processes and communications using in situ imaging mass spectrometry and superresolution optical micros-copy.« less

[CrIII(NCMe)6]3+--a labile CrIII source enabling formation of Cr[M(CN)6] (M=V, Cr, Mn, Fe) Prussian blue-type magnetic materials.

PubMed

Nelson, Kendric J; Daniels, Matthew C; Reiff, William M; Troff, Shayla A; Miller, Joel S

2007-11-26

The kinetic inertness of the hexaaquachromium(III) (kH2O=2.4x10(-6) s(-1)) has led to challenges with respect to incorporating CrIII ions into Prussian blue-type materials; however, hexakis(acetonitrile)chromium(III) was shown to be substantially more labile (approximately 10(4) times) and enables a new synthetic route for the synthesis of these materials via nonaqueous solvents. The synthesis, spectroscopic, and physical properties of Cr[M(CN)6] (M=V, Cr, Mn, Fe) Prussian blue analogues synthesized from [CrIII(NCMe)6]3+ and the corresponding [MIII(CN)6]3- are described. All these compounds {(NEt4)0.02CrIII[VIII(CN)6]0.98(BF4)(0.08).0.10MeCN (1), CrIII[CrIII(CN)6].0.16MeCN (2), CrIII[MnIII(CN)6].0.10MeCN (3), and (NEt4)0.04CrIII0.64CrIV0.40[FeII(CN)6]0.40[FeIII(CN)6]0.60(BF4)(0.16).1.02MeCN (4)} are ferrimagnets exhibiting cluster-glass behavior. Strong antiferromagnetic coupling was observed for M=V, Cr, and Mn with Weiss constants (theta) ranging from -132 to -524 K; and in 2, where the strongest coupling is observed (theta=-524 K), the highest Tc (110 K) value was observed. Weak antiferromagnetic coupling was observed for M=Fe (theta=-12 K) leading to the lowest Tc (3 K) value in this series. Weak coupling and the low Tc value observed in 4 were additionally contributed by the presence of both [FeII(CN)6]4- and [FeIII(CN)6]3- as confirmed by 57Fe-Mössbauer spectroscopy.

Influence of Cr doping on the stability and structure of small cobalt oxide clusters.

PubMed

Tung, Nguyen Thanh; Tam, Nguyen Minh; Nguyen, Minh Tho; Lievens, Peter; Janssens, Ewald

2014-07-28

The stability of mass-selected pure cobalt oxide and chromium doped cobalt oxide cluster cations, ConO+m and Con-1CrO+m (n = 2, 3; m = 2-6 and n = 4; m = 3-8), has been investigated using photodissociation mass spectrometry. Oxygen-rich ConO+m clusters (m ≥ n + 1 for n = 2, 4 and m ≥ n + 2 for n = 3) prefer to photodissociate via the loss of an oxygen molecule, whereas oxygen poorer clusters favor the evaporation of oxygen atoms. Substituting a single Co atom by a single Cr atom alters the dissociation behavior. All investigated Con-1 CrO+m clusters, except CoCrO+2 and CoCrO+3, prefer to decay by eliminating a neutral oxygen molecule. Co2O+2, Co4O+3, Co4O+4, and CoCrO+2 are found to be relatively difficult to dissociate and appear as fragmentation product of several larger clusters, suggesting that they are particularly stable. The geometric structures of pure and Cr doped cobalt oxide species are studied using density functional theory calculations. Dissociation energies for different evaporation channels are calculated and compared with the experimental observations. The influence of the dopant atom on the structure and the stability of the clusters is discussed.

The Hubble Space Telescope UV Legacy Survey of Galactic globular clusters - XIII. ACS/WFC parallel-field catalogues

NASA Astrophysics Data System (ADS)

Simioni, M.; Bedin, L. R.; Aparicio, A.; Piotto, G.; Milone, A. P.; Nardiello, D.; Anderson, J.; Bellini, A.; Brown, T. M.; Cassisi, S.; Cunial, A.; Granata, V.; Ortolani, S.; van der Marel, R. P.; Vesperini, E.

2018-05-01

As part of the Hubble Space Telescope UV Legacy Survey of Galactic globular clusters, 110 parallel fields were observed with the Wide Field Channel of the Advanced Camera for Surveys, in the outskirts of 48 globular clusters, plus the open cluster NGC 6791. Totalling about 0.3 deg2 of observed sky, this is the largest homogeneous Hubble Space Telescope photometric survey of Galalctic globular clusters outskirts to date. In particular, two distinct pointings have been obtained for each target on average, all centred at about 6.5 arcmin from the cluster centre, thus covering a mean area of about 23 arcmin2 for each globular cluster. For each field, at least one exposure in both F475W and F814W filters was collected. In this work, we publicly release the astrometric and photometric catalogues and the astrometrized atlases for each of these fields.

Interstitial loop transformations in FeCr

DOE PAGES

Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.; ...

2015-03-27

Here, we improve the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) algorithm by integrating the Activation Relaxation Technique nouveau (ARTn), a powerful open-ended saddle-point search method, into the algorithm. We use it to investigate the reaction of 37-interstitial 1/2[1 1 1] and 1/2[View the MathML source] loops in FeCr at 10 at.% Cr. They transform into 1/2[1 1 1], 1/2[View the MathML source], [1 0 0] and [0 1 0] 74-interstitial clusters with an overall barrier of 0.85 eV. We find that Cr decoration locally inhibits the rotation of crowdions, which dictates the final loop orientation. Moreover, the final loop orientationmore » depends on the details of the Cr decoration. Generally, a region of a given orientation is favored if Cr near its interface with a region of another orientation is able to inhibit reorientation at this interface more than the Cr present at the other interfaces. Also, we find that substitutional Cr atoms can diffuse from energetically unfavorable to energetically favorable sites within the interlocked 37-interstitial loops conformation with barriers of less than 0.35 eV.« less

Magnetic behavior in Cr{sub 2}@Ge{sub n} (1≤n≤12) clusters: A density functional investigation

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

Dhaka, Kapil, E-mail: kapil.dhaka@pilani.bits-pilani.ac.in; Trivedi, Ravi, E-mail: kapil.dhaka@pilani.bits-pilani.ac.in; Bandyopadhyay, Debashis, E-mail: kapil.dhaka@pilani.bits-pilani.ac.in

2014-04-24

With a goal to produce magnetic moment in Cr{sub 2} Doped Ge{sub n} clusters which will be useful for practical applications, we have considered the structure and magnetic properties of Pure Germanium clusters and substitutionally doped it with Cr dimer to produce Cr{sub 2}@Ge{sub n} clusters. As the first step of calculation, geometrical optimizations of the nanoclusters have been done. These optimized geometries have been used in calculate the average binding energy per atom (BE), HOMO-LUMO gap and hence the relative stability of the clusters. These parameters have been demonstrated as structural and electronic properties of the clusters. Gap betweenmore » highest occupied molecular orbital and lowest unoccupied molecular orbital indicate cluster to be a potential motif for generating magnetic cluster assembled materials. Based on these values a comparative study on different sized clusters has been done in order to understand the origin of structures, electronic and magnetic properties of Cr{sub 2}@Ge{sub n} nanoclusters.« less

Magnetocaloric effect in cubic spinel Co(Cr0.95Fe0.05)2O4

NASA Astrophysics Data System (ADS)

Kumar, Ram; Rayaprol, S.; Xiao, Y.; Ji, W.; Siruguri, V.; Pal, D.

2018-04-01

The crystal structure, magnetic properties and magnetocaloric effect (MCE) of Co(Cr0.95Fe0.05)2O4 have been studied. Co(Cr0.95Fe0.05)2O4 synthesized by solid-state reaction method, crystallizes in normal cubic spinel structure with Fd-3m space group. Neutron powder diffraction (NPD) and magnetic measurements when compared to the undoped CoCr2O4, show that the compound is ferrimagnetic (FIM) and transition temperature (TC) is enhanced due to Fe substitution. Analysis of structural and magnetic properties shows the existence of two different sites of magnetic clusters due to Fe/Cr cation disorder. The competition between the moments of the two different sub-lattices gives rise to the temperature induced magnetization reversal at compensation tempearature (Tcomp) = 44 K. The magnetocaloric effect (simply the change in magnetic entropy i.e, -ΔSM) has been observed in Co(Cr0.95Fe0.05)2O4 with different applied magnetic fields (max. H = 90 kOe). We found maximum change of magnetic entropy ˜1.2 J/kg K, for a field change of 90 kOe at FIM transition temperature (TC˜110 K) with relative cooling power (RCP) of ˜13 J/kg. Moreover, the sign change of -ΔSM across the compensation temperature (Tcomp˜ 44 K) shows another phase transition across Tcomp in Co(Cr0.95Fe0.05)2O4. The values of MCE and RCP are also appreciable so as to consider Co(Cr0.95Fe0.05)2O4 as a magnetic refrigerant above liquid nitrogen temperature.

High-resolution spectroscopic observations of binary stars and yellow stragglers in three open clusters: NGC 2360, NGC 3680, and NGC 5822

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

Sales Silva, J. V.; Peña Suárez, V. J.; Katime Santrich, O. J.

2014-11-01

Binary stars in open clusters are very useful targets in constraining the nucleosynthesis process. The luminosities of the stars are known because the distances of the clusters are also known, so chemical peculiarities can be linked directly to the evolutionary status of a star. In addition, binary stars offer the opportunity to verify a relationship between them and the straggler population in both globular and open clusters. We carried out a detailed spectroscopic analysis to derive the atmospheric parameters for 16 red giants in binary systems and the chemical composition of 11 of them in the open clusters NGC 2360,more » NGC 3680, and NGC 5822. We obtained abundances of C, N, O, Na, Mg, Al, Ca, Si, Ti, Ni, Cr, Y, Zr, La, Ce, and Nd. The atmospheric parameters of the studied stars and their chemical abundances were determined using high-resolution optical spectroscopy. We employ the local thermodynamic equilibrium model atmospheres of Kurucz and the spectral analysis code MOOG. The abundances of the light elements were derived using the spectral synthesis technique. We found that the stars NGC 2360-92 and 96, NGC 3680-34, and NGC 5822-4 and 312 are yellow straggler stars. We show that the spectra of NGC 5822-4 and 312 present evidence of contamination by an A-type star as a secondary star. For the other yellow stragglers, evidence of contamination is given by the broad wings of the Hα. Detection of yellow straggler stars is important because the observed number can be compared with the number predicted by simulations of binary stellar evolution in open clusters. We also found that the other binary stars are not s-process enriched, which may suggest that in these binaries the secondary star is probably a faint main-sequence object. The lack of any s-process enrichment is very useful in setting constraints for the number of white dwarfs in the open cluster, a subject that is related to the birthrate of these kinds of stars in open clusters and also to the age of a cluster. Finally, rotational velocities were also determined and their values were compared with those already determined for field giant stars.« less

Size-dependent magnetic transitions in CoFe0.1Cr1.9O4 nanoparticles studied by magnetic and neutron-polarization analysis.

PubMed

Kumar, D; Galivarapu, J K; Banerjee, A; Nemkovski, K S; Su, Y; Rath, Chandana

2016-04-29

Multiferroic, CoCr2O4 bulk material undergoes successive magnetic transitions such as a paramagnetic to collinear and non-collinear ferrimagnetic state at the Curie temperature (TC) and spiral ordering temperature (TS) respectively and finally to a lock-in-transition temperature (Tl). In this paper, the rich sequence of magnetic transitions in CoCr2O4 after mixing the octahedral site with 10% of iron are investigated by varying the size of the particle from 10 to 50 nm. With the increasing size, while the TC increases from 110 to 119 K which is higher than the TC (95 K) of pure CoCr2O4, the TS remains unaffected. In addition, a compensation of magnetization at 34 K and a lock-in transition at 10 K are also monitored in 50 nm particles. Further, we have examined the magnetic-ordering temperatures through neutron scattering using a polarized neutron beam along three orthogonal directions after separating the magnetic scattering from nuclear-coherent and spin-incoherent contributions. While a sharp long-range ferrimagnetic ordering down to 110 K and a short-range spiral ordering down to 50 K are obtained in 50 nm particles, in 10 nm particles, the para to ferrimagnetic transition is found to be continuous and spiral ordering is diffused in nature. Frequency-dependent ac susceptibility (χ) data fitted with different phenomenological models such as the Neel-Arrhenius, Vogel-Fulcher and power law, while ruling out the canonical spin-glass, cluster-glass and interacting superparamagnetism, reveal that both particles show spin-glass behavior with a higher relaxation time in 10 nm particles than in 50 nm. The smaller spin flip time in 50 nm particles confirms that spin dynamics does not slow down on approaching the glass transition temperature (Tg).

Gamma-Ray Emission from Galaxy Clusters : DARK MATTER AND COSMIC-RAYS

NASA Astrophysics Data System (ADS)

Pinzke, Anders

The quest for the first detection of a galaxy cluster in the high energy gamma-ray regime is ongoing, and even though clusters are observed in several other wave-bands, there is still no firm detection in gamma-rays. To complement the observational efforts we estimate the gamma-ray contributions from both annihilating dark matter and cosmic-ray (CR) proton as well as CR electron induced emission. Using high-resolution simulations of galaxy clusters, we find a universal concave shaped CR proton spectrum independent of the simulated galaxy cluster. Specifically, the gamma-ray spectra from decaying neutral pions, which are produced by CR protons, dominate the cluster emission. Furthermore, based on our derived flux and luminosity functions, we identify the galaxy clusters with the brightest galaxy clusters in gamma-rays. While this emission is challenging to detect using the Fermi satellite, major observations with Cherenkov telescopes in the near future may put important constraints on the CR physics in clusters. To extend these predictions, we use a dark matter model that fits the recent electron and positron data from Fermi, PAMELA, and H.E.S.S. with remarkable precision, and make predictions about the expected gamma-ray flux from nearby clusters. In order to remain consistent with the EGRET upper limit on the gamma-ray emission from Virgo, we constrain the minimum mass of substructures for cold dark matter halos. In addition, we find comparable levels of gamma-ray emission from CR interactions and dark matter annihilations without Sommerfeld enhancement.

High β effects on cosmic ray streaming in galaxy clusters

NASA Astrophysics Data System (ADS)

Wiener, Joshua; Zweibel, Ellen G.; Oh, S. Peng

2018-01-01

Diffuse, extended radio emission in galaxy clusters, commonly referred to as radio haloes, indicate the presence of high energy cosmic ray (CR) electrons and cluster-wide magnetic fields. We can predict from theory the expected surface brightness of a radio halo, given magnetic field and CR density profiles. Previous studies have shown that the nature of CR transport can radically effect the expected radio halo emission from clusters (Wiener, Oh & Guo 2013). Reasonable levels of magnetohydrodynamic (MHD) wave damping can lead to significant CR streaming speeds. But a careful treatment of MHD waves in a high β plasma, as expected in cluster environments, reveals damping rates may be enhanced by a factor of β1/2. This leads to faster CR streaming and lower surface brightnesses than without this effect. In this work, we re-examine the simplified, 1D Coma cluster simulations (with radial magnetic fields) of Wiener et al. (2013) and discuss observable consequences of this high β damping. Future work is required to study this effect in more realistic simulations.

Influence of Cr doping on the stability and structure of small cobalt oxide clusters

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

Tung, Nguyen Thanh; Lievens, Peter; Janssens, Ewald, E-mail: ewald.janssens@fys.kuleuven.be

2014-07-28

The stability of mass-selected pure cobalt oxide and chromium doped cobalt oxide cluster cations, Co{sub n}O{sub m}{sup +} and Co{sub n−1}CrO{sub m}{sup +} (n = 2, 3; m = 2–6 and n = 4; m = 3–8), has been investigated using photodissociation mass spectrometry. Oxygen-rich Co{sub n}O{sub m}{sup +} clusters (m ⩾ n + 1 for n = 2, 4 and m ⩾ n + 2 for n = 3) prefer to photodissociate via the loss of an oxygen molecule, whereas oxygen poorer clusters favor the evaporation of oxygen atoms. Substituting a single Co atom by a single Cr atommore » alters the dissociation behavior. All investigated Co{sub n−1}CrO{sub m}{sup +} clusters, except CoCrO{sub 2}{sup +} and CoCrO{sub 3}{sup +}, prefer to decay by eliminating a neutral oxygen molecule. Co{sub 2}O{sub 2}{sup +}, Co{sub 4}O{sub 3}{sup +}, Co{sub 4}O{sub 4}{sup +}, and CoCrO{sub 2}{sup +} are found to be relatively difficult to dissociate and appear as fragmentation product of several larger clusters, suggesting that they are particularly stable. The geometric structures of pure and Cr doped cobalt oxide species are studied using density functional theory calculations. Dissociation energies for different evaporation channels are calculated and compared with the experimental observations. The influence of the dopant atom on the structure and the stability of the clusters is discussed.« less

Colour due to Cr3+ ions in oxides: a study of the model system MgO:Cr3+

NASA Astrophysics Data System (ADS)

Aramburu, J. A.; García-Fernández, P.; García-Lastra, J. M.; Barriuso, M. T.; Moreno, M.

2013-05-01

Seeking to understand why the cubic centre in MgO:Cr3+ has the same 10Dq value as emerald, ab initio cluster and periodic supercell calculations have been performed. It is found that the equilibrium Cr3+-O2- distance, R, in MgO:Cr3+ is equal to 2.03 Å and thus 0.06 Å higher than that measured for the emerald. Calculations carried out on the isolated {{CrO}}_{6}^{9-} complex at R = 2.03 Å give 10Dq = 14 510 cm-1, which is 10% smaller than the experimental figure for MgO:Cr3+. Nevertheless, when the internal electric field, ER(r), due to the rest of the lattice ions is also taken into account, the calculated 10Dq = 16 210 cm-1 coincides with the experimental value. Accordingly, the colour shift for different oxides doped with Cr3+ can be well understood on the basis of this extrinsic contribution to 10Dq usually ignored in a ligand field description. The calculated electrostatic potential, VR(r), related to ER(r), is found to be attractive when the electronic density is lying along <110> directions and |r| > 1 Å driven by the first shell of twelve Mg2+ ions. The action of VR(r) upon the {{CrO}}_{6}^{9-} complex slightly decreases the energy of t2g(xy,xz,yz) orbitals with respect to that for eg(3z2 - r2,x2 - y2) orbitals, thus enhancing the 10Dq value by 0.2 eV. However, the addition of VR(r) induces very small changes in the electronic density, a relevant fact that is related to the {}^{2}{E}({{t}}_{2{g}}^{3})\\hspace{0.167em} {\\rightarrow \\hspace{0.167em} }^{4}{{A}}_{2}({{t}}_{2{g}}^{3}) emission energy being nearly independent of the host lattice along the series of Cr3+-doped oxides.

A physical map of the human regulator of complement activation gene cluster linking the complement genes CR1, CR2, DAF, and C4BP

PubMed Central

1988-01-01

We report the organization of the human genes encoding the complement components C4-binding protein (C4BP), C3b/C4b receptor (CR1), decay accelerating factor (DAF), and C3dg receptor (CR2) within the regulator of complement activation (RCA) gene cluster. Using pulsed field gel electrophoresis analysis these genes have been physically linked and aligned as CR1-CR2-DAF-C4BP in an 800-kb DNA segment. The very tight linkage between the CR1 and the C4BP loci, contrasted with the relative long DNA distance between these genes, suggests the existence of mechanisms interfering with recombination within the RCA gene cluster. PMID:2450163

α-cluster states in 46,54Cr from double-folding potentials

NASA Astrophysics Data System (ADS)

Mohr, Peter

2017-10-01

α-cluster states in 46Cr and 54Cr are investigated in the double-folding model. This study complements a recent similar work by Souza and Miyake, Eur. Phys. J. A 53, 146 (2017), which was based on a specially shaped potential. Excitation energies, reduced widths, intercluster separations, and intra-band transition strengths are calculated and compared to experimental values for the ground state bands in 46Cr and 54Cr . The α-cluster potential is also applied to elastic scattering at low and intermediate energies. Here, as a byproduct, a larger radial extent of the neutron density in 50Ti is found.

Comparison of Cluster, Slab, and Analytic Potential Models for the Dimethyl Methylphosphonate (DMMP)/TiO2 (110) Intermolecular Interaction

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

Yang, Li; Tunega, Daniel; Xu, Lai

2013-08-29

In a previous study (J. Phys. Chem. C 2011, 115, 12403) cluster models for the TiO2 rutile (110) surface and MP2 calculations were used to develop an analytic potential energy function for dimethyl methylphosphonate (DMMP) interacting with this surface. In the work presented here, this analytic potential and MP2 cluster models are compared with DFT "slab" calculations for DMMP interacting with the TiO2 (110) surface and with DFT cluster models for the TiO2 (110) surface. The DFT slab calculations were performed with the PW91 and PBE functionals. The analytic potential gives DMMP/ TiO2 (110) potential energy curves in excellent agreementmore » with those obtained from the slab calculations. The cluster models for the TiO2 (110) surface, used for the MP2 calculations, were extended to DFT calculations with the B3LYP, PW91, and PBE functional. These DFT calculations do not give DMMP/TiO2 (110) interaction energies which agree with those from the DFT slab calculations. Analyses of the wave functions for these cluster models show that they do not accurately represent the HOMO and LUMO for the surface, which should be 2p and 3d orbitals, respectively, and the models also do not give an accurate band gap. The MP2 cluster models do not accurately represent the LUMO and that they give accurate DMMP/TiO2 (110) interaction energies is apparently fortuitous, arising from their highly inaccurate band gaps. Accurate cluster models, consisting of 7, 10, and 15 Ti-atoms and which have the correct HOMO and LUMO properties, are proposed. The work presented here illustrates the care that must be taken in "constructing" cluster models which accurately model surfaces.« less

Renormalized coupled cluster approaches in the cluster-in-molecule framework: predicting vertical electron binding energies of the anionic water clusters (H2O)(n)(-).

PubMed

Xu, Peng; Gordon, Mark S

2014-09-04

Anionic water clusters are generally considered to be extremely challenging to model using fragmentation approaches due to the diffuse nature of the excess electron distribution. The local correlation coupled cluster (CC) framework cluster-in-molecule (CIM) approach combined with the completely renormalized CR-CC(2,3) method [abbreviated CIM/CR-CC(2,3)] is shown to be a viable alternative for computing the vertical electron binding energies (VEBE). CIM/CR-CC(2,3) with the threshold parameter ζ set to 0.001, as a trade-off between accuracy and computational cost, demonstrates the reliability of predicting the VEBE, with an average percentage error of ∼15% compared to the full ab initio calculation at the same level of theory. The errors are predominantly from the electron correlation energy. The CIM/CR-CC(2,3) approach provides the ease of a black-box type calculation with few threshold parameters to manipulate. The cluster sizes that can be studied by high-level ab initio methods are significantly increased in comparison with full CC calculations. Therefore, the VEBE computed by the CIM/CR-CC(2,3) method can be used as benchmarks for testing model potential approaches in small-to-intermediate-sized water clusters.

Properties of the Open Cluster Tombaugh 1 from High-resolution Spectroscopy and uvbyCaHβ Photometry

NASA Astrophysics Data System (ADS)

Sales Silva, João V.; Carraro, Giovanni; Anthony-Twarog, Barbara J.; Moni Bidin, Christian; Costa, Edgardo; Twarog, Bruce A.

2016-01-01

Open clusters can be the key to deepening our knowledge on various issues involving the structure and evolution of the Galactic disk and details of stellar evolution because a cluster’s properties are applicable to all its members. However, the number of open clusters with detailed analysis from high-resolution spectroscopy or precision photometry imposes severe limitations on studies of these objects. To expand the number of open clusters with well-defined chemical abundances and fundamental parameters, we investigate the poorly studied, anticenter open cluster Tombaugh 1. Using precision uvbyCaHβ photometry and high-resolution spectroscopy, we derive the cluster’s reddening, obtain photometric metallicity estimates, and, for the first time, present a detailed abundance analysis of 10 potential cluster stars (nine clump stars and one Cepheid). Using the radial position from the cluster center and multiple color indices, we have isolated a sample of unevolved, probable single-star members of Tombaugh 1. From 51 stars, the cluster reddening is found to be E(b-y) = 0.221 ± 0.006 or E(B-V) = 0.303 ± 0.008, where the errors refer to the internal standard errors of the mean. The weighted photometric metallicity from m1 and hk is [Fe/H] = -0.10 ± 0.02, while a match to the Victoria-Regina Strömgren isochrones leads to an age of 0.95 ± 0.10 Gyr and an apparent modulus of (m-M) = 13.10 ± 0.10. Radial velocities identify six giants as probable cluster members, and the elemental abundances of Fe, Na, Mg, Al, Si, Ca, Ti, Cr, Ni, Y, Ba, Ce, and Nd have been derived for both the cluster and the field stars. Tombaugh 1 appears to be a typical inner thin disk, intermediate-age open cluster of slightly subsolar metallicity, located just beyond the solar circle, with solar elemental abundance ratios except for the heavy s-process elements, which are a factor of two above solar. Its metallicity is consistent with a steep metallicity gradient in the galactocentric region between 9.5 and 12 kpc. Our study also shows that Cepheid XZ CMa is not a member of Tombaugh 1 and reveals that this Cepheid presents signs of barium enrichment, making it a probable binary star. Based on observations carried out at Las Campanas Observatory (program ID: CN2009B-042) and Cerro Tololo Inter-American Observatory.

Half-metallicity at the (110) interface between a full Heusler alloy and GaAs

NASA Astrophysics Data System (ADS)

Nagao, Kazutaka; Miura, Yoshio; Shirai, Masafumi

2006-03-01

The electronic properties of Co2CrAl/GaAs interfaces are investigated by using first-principles calculations with density functional theory. It is found that spin polarization tends to remain relatively high at the (110) interface and reaches almost unity for a specific (110) interfacial structure. Furthermore, the nearly-half-metallic interface turns out to be the most stable of the (110) interfacial structures studied here. Spin polarization calculated only from the sp -projected density of states is also examined in order to eliminate the effects stemming from the localized d components. The analysis shows that the high spin polarization at the (110) interface owes little to the localized d component and, therefore, is expected to be fairly relevant to transport properties. Co2CrSi/GaAs , Co2MnSi/GaAs , and Co2MnGe/GaAs heterostructures are also investigated, and similar half-metal-like behavior at (110) interface is observed for all of them.

A New Numerical Scheme for Cosmic-Ray Transport

NASA Astrophysics Data System (ADS)

Jiang, Yan-Fei; Oh, S. Peng

2018-02-01

Numerical solutions of the cosmic-ray (CR) magnetohydrodynamic equations are dogged by a powerful numerical instability, which arises from the constraint that CRs can only stream down their gradient. The standard cure is to regularize by adding artificial diffusion. Besides introducing ad hoc smoothing, this has a significant negative impact on either computational cost or complexity and parallel scalings. We describe a new numerical algorithm for CR transport, with close parallels to two-moment methods for radiative transfer under the reduced speed of light approximation. It stably and robustly handles CR streaming without any artificial diffusion. It allows for both isotropic and field-aligned CR streaming and diffusion, with arbitrary streaming and diffusion coefficients. CR transport is handled explicitly, while source terms are handled implicitly. The overall time step scales linearly with resolution (even when computing CR diffusion) and has a perfect parallel scaling. It is given by the standard Courant condition with respect to a constant maximum velocity over the entire simulation domain. The computational cost is comparable to that of solving the ideal MHD equation. We demonstrate the accuracy and stability of this new scheme with a wide variety of tests, including anisotropic streaming and diffusion tests, CR-modified shocks, CR-driven blast waves, and CR transport in multiphase media. The new algorithm opens doors to much more ambitious and hitherto intractable calculations of CR physics in galaxies and galaxy clusters. It can also be applied to other physical processes with similar mathematical structure, such as saturated, anisotropic heat conduction.

A quasi-in-situ EBSD observation of the transformation from rolling texture to recrystallization texture in V-4Cr-4Ti alloy

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

Peng, Lixia

Recrystallization texture evolution of rolled V-4Cr-4Ti alloy has been investigated by quasi-in-situ EBSD (electron back-scattering diffraction) method. Concurrently, the precipitates were characterized by SEM (Scanning Electron Microscopy). It was found that both the initial rolling textures and the distribution of the precipitates affected the formation of the recrystallization texture. It was revealed that the texture transformations of (558) 〈110〉 + (665) 〈110〉 to (334) 〈483〉 + (665) 〈1 1 2.4〉 were possibly attributed to the selective drag induced by the sparsely dispersed Ti-rich precipitates. While the densely distributed Ti-rich precipitates were responsible for the randomized recrystallization texture. Finally, when themore » precipitates were absent, the orientation changes from (112) 〈110〉 and (558) 〈110〉 to (111) 〈112〉 and (001) <110> to (001) <520> were observed. - Highlights: • Micro recrystallization texture evolution in V-4Cr-4Ti alloys is reported for the first time. • The volume fraction of Ti-rich precipitates has significant effect on the recrystallization texture evolution. • The dissolution of the Ti-rich precipitates above 1100 °C induces the strengthening of (111) <112> texture.« less

A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr3+ in aqueous solutions

NASA Astrophysics Data System (ADS)

Hu, Dong-Cheng; Fan, Yan; Si, Chang-Dai; Wu, Ya-Jun; Dong, Xiu-Yan; Yang, Yun-Xia; Yao, Xiao-Qiang; Liu, Jia-Cheng

2016-09-01

A novel series of Zn/Cd coordination polymers based on H3L, namely, [Zn2(HL)2(bipy)2(H2O)6]n (1), [Zn(HL)(phen)]n (2), [Cd3L2(bbi)3]n (3), [Zn3L2(bbi)3]n (4) [(H3L =4-[(1-carboxynaphthalen-2-yl)oxy]phthalic acid, bipy =4,4‧-bipyridine, phen =1,10-phenanthroline, bbi =1,1‧-(1,4-butanediyl)bis(imidazole] have been successfully synthesized by solvothermal reaction. Compound 1 possesses two diverse 1D chains constructed by different bipy coligands, which were further connected to form a 3D supramolecular architecture by hydrogen bonding interactions. Compound 2 possesses a complicated 1D chain based on secondary building unit (SBU) with binuclear Zn cluster. Compounds 3 and 4 exhibit similar 2D→3D framework, which can be rationalized as (3,4,4)-connected 3D net with a Schläfli symbol of (63.8.102)2(63)2(64.8.10). In particular, compound 3 exhibited a high sensitivity for Cr3+ in aqueous solutions, which suggest that compound 3 is a promising luminescent probe for selectively sensing Cr3+.

Investigating the usefulness of a cluster-based trend analysis to detect visual field progression in patients with open-angle glaucoma.

PubMed

Aoki, Shuichiro; Murata, Hiroshi; Fujino, Yuri; Matsuura, Masato; Miki, Atsuya; Tanito, Masaki; Mizoue, Shiro; Mori, Kazuhiko; Suzuki, Katsuyoshi; Yamashita, Takehiro; Kashiwagi, Kenji; Hirasawa, Kazunori; Shoji, Nobuyuki; Asaoka, Ryo

2017-12-01

To investigate the usefulness of the Octopus (Haag-Streit) EyeSuite's cluster trend analysis in glaucoma. Ten visual fields (VFs) with the Humphrey Field Analyzer (Carl Zeiss Meditec), spanning 7.7 years on average were obtained from 728 eyes of 475 primary open angle glaucoma patients. Mean total deviation (mTD) trend analysis and EyeSuite's cluster trend analysis were performed on various series of VFs (from 1st to 10th: VF1-10 to 6th to 10th: VF6-10). The results of the cluster-based trend analysis, based on different lengths of VF series, were compared against mTD trend analysis. Cluster-based trend analysis and mTD trend analysis results were significantly associated in all clusters and with all lengths of VF series. Between 21.2% and 45.9% (depending on VF series length and location) of clusters were deemed to progress when the mTD trend analysis suggested no progression. On the other hand, 4.8% of eyes were observed to progress using the mTD trend analysis when cluster trend analysis suggested no progression in any two (or more) clusters. Whole field trend analysis can miss local VF progression. Cluster trend analysis appears as robust as mTD trend analysis and useful to assess both sectorial and whole field progression. Cluster-based trend analyses, in particular the definition of two or more progressing cluster, may help clinicians to detect glaucomatous progression in a timelier manner than using a whole field trend analysis, without significantly compromising specificity. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Systematic study of cluster radioactivity of superheavy nuclei

NASA Astrophysics Data System (ADS)

Zhang, Y. L.; Wang, Y. Z.

2018-01-01

The probable cluster radioactivity (CR) of 294118, 296120, and 298122 is studied by using the unified description (UD) formula, universal (UNIV) curve, Horoi formula, and universal decay law (UDL). The predictions by the former three models suggest that the probable emitted clusters are lighter nuclei, and the calculations within the UDL formula give a different prediction: that both the lighter clusters and heavier ones can be emitted from the parent nuclei. A further study on the competition between α decay and CR of Z =104 -124 isotopes is performed. The former three models predict that α decay is the dominant decay mode, but the UDL formula suggests that CR dominates over α decay for Z ≥118 nuclei and the isotopes of 118 292 -296 ,308 -318 , 120 , 284 -304 ,308 -324 and 122-322316 are the most likely candidates as the cluster emitters. Because the former three formulas are just preformation models, the lighter cluster emissions can be described. However, the UDL formula can predict the lighter and heavier CR owing to the inclusion of the preformation and fissionlike mechanisms. Finally, it is found that the shortest CR half-lives are always obtained when the daughter nuclei are around the double magic 208Pb within the UDL formula, which indicates that shell effect has an important influence on CR.

Changes in cluster magnetism and suppression of local superconductivity in amorphous FeCrB alloy irradiated by Ar+ ions

NASA Astrophysics Data System (ADS)

Okunev, V. D.; Samoilenko, Z. A.; Szymczak, H.; Szewczyk, A.; Szymczak, R.; Lewandowski, S. J.; Aleshkevych, P.; Malinowski, A.; Gierłowski, P.; Więckowski, J.; Wolny-Marszałek, M.; Jeżabek, M.; Varyukhin, V. N.; Antoshina, I. A.

2016-02-01

We show that сluster magnetism in ferromagnetic amorphous Fe67Cr18B15 alloy is related to the presence of large, D=150-250 Å, α-(Fe Cr) clusters responsible for basic changes in cluster magnetism, small, D=30-100 Å, α-(Fe, Cr) and Fe3B clusters and subcluster atomic α-(Fe, Cr, B) groupings, D=10-20 Å, in disordered intercluster medium. For initial sample and irradiated one (Φ=1.5×1018 ions/cm2) superconductivity exists in the cluster shells of metallic α-(Fe, Cr) phase where ferromagnetism of iron is counterbalanced by antiferromagnetism of chromium. At Φ=3×1018 ions/cm2, the internal stresses intensify and the process of iron and chromium phase separation, favorable for mesoscopic superconductivity, changes for inverse one promoting more homogeneous distribution of iron and chromium in the clusters as well as gigantic (twice as much) increase in density of the samples. As a result, in the cluster shells ferromagnetism is restored leading to the increase in magnetization of the sample and suppression of local superconductivity. For initial samples, the temperature dependence of resistivity ρ(T) T2 is determined by the electron scattering on quantum defects. In strongly inhomogeneous samples, after irradiation by fluence Φ=1.5×1018 ions/cm2, the transition to a dependence ρ(T) T1/2 is caused by the effects of weak localization. In more homogeneous samples, at Φ=3×1018 ions/cm2, a return to the dependence ρ(T) T2 is observed.

The effects of dietary supplementation with chromium picolinate throughout gestation on productive performance, Cr concentration, serum parameters, and colostrum composition in sows.

PubMed

Wang, Liansheng; Shi, Zhan; Jia, Zhiqiang; Su, Binchao; Shi, Baoming; Shan, Anshan

2013-07-01

The objective of this study was to determine the effects of supplemental chromium as chromium picolinate (CrPic) on productive performance, chromium (Cr) concentration, serum parameters, and colostrum composition in sows. Thirty Yorkshire sows were bred with semen from a pool of Landrace boars. The sows were equally grouped and treated with either a diet containing 0 (control) or 400 ppb dietary Cr supplementation throughout gestation. The sows received the same basal diet based on corn-DDGS meal. Supplemental CrPic increased (P < 0.05) the sow body mass gain from the insemination to the day 110 of gestation in sows. No differences (P > 0.50) were observed in the gestation interval, sow mass, and backfat at insemination, after farrowing, at weaning and lactation loss. The number of piglets born alive, piglets per litter at weaning, and litter weaned mass were increased (P < 0.05) for those supplemented with CrPic compared with the control. However, the total number of piglets born, total born litter mass, average piglet birth body mass, born alive litter mass, and average born alive piglet mass did not differ among the treatments (P > 0.05). The placental masses of sows were similar among treatments (P > 0.05). Dietary supplementation with CrPic throughout gestation in sows showed increased (P < 0.01) concentration of Cr in the colostrum or serum at days 70 and 110. Compared with the control group, dietary supplementation with CrPic throughout gestation in sows decreased (P < 0.05) the serum insulin concentration, the glucose or serum urea nitrogen concentration at days 70 and 110. However, no differences (P > 0.05) were observed in total protein concentration among treatments. No differences (P > 0.05) were observed in total solids, protein, fat or lactose among sows fed the diets supplemented with CrPic compared with the control. This exciting finding provides evidence for an increase in mass gain and live-born piglets in sows supplemented with CrPic throughout gestation.

How anomalous is the interstellar extinction in NGC 3372, the Carina Nebula?

NASA Astrophysics Data System (ADS)

Tapia, M.; Roth, M.; Marraco, H.; Ruiz, M. T.

Near-infrared JHKL photometry of more than 200 stars in the open clusters Tr 14, Tr 15, Tr 16, Cr 228, and Cr 232 in the Carina Nebula is presented. By comparing these results with the available visual photometry and spectroscopy, it is found that the intracluster reddening is characterized, except in Tr 15, by a 'normal' extinction law for lambda greater than 0.5 micron, but is highly anomalous and variable in the U and B bands. Provisional two-color visual polarimetry suggests that the wavelength of maximum polarization is similar to that in the general interstellar medium. This behavior may be explained by the presence of intracluster interstellar grains 'processed' by the passage of shock waves, presumably associated with the violent history of Eta Carinae.

Computational modeling of Metal-Organic Frameworks

NASA Astrophysics Data System (ADS)

Sung, Jeffrey Chuen-Fai

In this work, the metal-organic frameworks MIL-53(Cr), DMOF-2,3-NH 2Cl, DMOF-2,5-NH2Cl, and HKUST-1 were modeled using molecular mechanics and electronic structure. The effect of electronic polarization on the adsorption of water in MIL-53(Cr) was studied using molecular dynamics simulations of water-loaded MIL-53 systems with both polarizable and non-polarizable force fields. Molecular dynamics simulations of the full systems and DFT calculations on representative framework clusters were utilized to study the difference in nitrogen adsorption between DMOF-2,3-NH2Cl and DMOF-2,5-NH 2Cl. Finally, the control of proton conduction in HKUST-1 by complexation of molecules to the Cu open metal site was investigated using the MS-EVB methodology.

Picosecond Dynamics Of The GaAs (110) Surface Studied With Laser Photoemission

NASA Astrophysics Data System (ADS)

Haight, R.; Silberman, J. A.; Lilie, M. I.

1988-08-01

A novel laser system and detection scheme is described which has been developed to investigate the transient dynamics of photoexcited electrons at material surfaces and interfaces with photoemission. The excited carrier population on the surface of GaAs (110) and the related Cr/GaAs (110) surface has been studied with 1-2 picosecond time resolution. Studies reveal a rapid rise and fall of the photexcited carrier population at the clean semiconductor surface within 15 picoseconds of excitation. For times greater than 15 picoseconds the carrier density decays slowly. Studies of the photoexcited surface after deposition of small numbers of Cr atoms reveal a remarkable decrease in the carrier density observed at the surface for a coverage as low as .006 monolayer.

From solid solution to cluster formation of Fe and Cr in α-Zr

NASA Astrophysics Data System (ADS)

Burr, P. A.; Wenman, M. R.; Gault, B.; Moody, M. P.; Ivermark, M.; Rushton, M. J. D.; Preuss, M.; Edwards, L.; Grimes, R. W.

2015-12-01

To understand the mechanisms by which the re-solution of Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, the solubility and clustering of Fe and Cr in model binary Zr alloys was investigated using a combination of experimental and modelling techniques - atom probe tomography (APT), x-ray diffraction (XRD), thermoelectric power (TEP) and density functional theory (DFT). Cr occupies both interstitial and substitutional sites in the α-Zr lattice; Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of Fe and Cr content in the α-Zr matrix deviates from Vegard's law and is strongly anisotropic for Fe additions, expanding the c-axis while contracting the a-axis. Matrix content of solutes cannot be reliably estimated from lattice parameter measurements, instead a combination of TEP and APT was employed. Defect clusters form at higher solution concentrations, which induce a smaller lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased apparent solubility of defect clusters; the implications for irradiation induced microstructure changes in Zr alloys are discussed.

Magnetic cluster expansion simulation and experimental study of high temperature magnetic properties of Fe-Cr alloys.

PubMed

Lavrentiev, M Yu; Mergia, K; Gjoka, M; Nguyen-Manh, D; Apostolopoulos, G; Dudarev, S L

2012-08-15

We present a combined experimental and computational study of high temperature magnetic properties of Fe-Cr alloys with chromium content up to about 20 at.%. The magnetic cluster expansion method is applied to model the magnetic properties of random Fe-Cr alloys, and in particular the Curie transition temperature, as a function of alloy composition. We find that at low (3-6 at.%) Cr content the Curie temperature increases with the increase of Cr concentration. It is maximum at approximately 6 at.% Cr and then decreases for higher Cr content. The same feature is found in thermo-magnetic measurements performed on model Fe-Cr alloys, where a 5 at.% Cr alloy has a higher Curie temperature than pure Fe. The Curie temperatures of 10 and 15 at.% Cr alloys are found to be lower than the Curie temperature of pure Fe.

Epidemiology of bovine brucellosis in Costa Rica: Lessons learned from failures in the control of the disease

PubMed Central

Hernández-Mora, Gabriela; Ruiz-Villalobos, Nazareth; Bonilla-Montoya, Roberto; Romero-Zúniga, Juan-José; Jiménez-Arias, Julio; González-Barrientos, Rocío; Barquero-Calvo, Elías; Chacón-Díaz, Carlos; Rojas, Norman; Chaves-Olarte, Esteban; Guzmán-Verri, Caterina

2017-01-01

Brucellosis, caused by Brucella abortus is a major disease of cattle and a zoonosis. In order to estimate the bovine brucellosis prevalence in Costa Rica (CR), a total 765 herds (13078 bovines) from six regions of CR were randomly sampled during 2012–2013. A non-random sample of 7907 herds (532199 bovines) of the six regions, arriving for diagnoses during 2014–2016 to the Costa Rican Animal Health Service was also studied. The prevalence estimated by Rose Bengal test (RBT) ranged from 10.5%-11.4%; alternatively, the prevalence estimated by testing the RBT positives in iELISA, ranged from 4.1%-6.0%, respectively. However, cattle in CR are not vaccinated with B. abortus S19 but with RB51 (vaccination coverage close to 11%), and under these conditions the RBT displays 99% specificity and 99% sensitivity. Therefore, the RBT herd depicted in the random analysis stands as a feasible assessment and then, the recommended value in case of planning an eradication program in CR. Studies of three decades reveled that bovine brucellosis prevalence has increased in CR. B. abortus was identified by biochemical and molecular studies as the etiological agent of bovine brucellosis. Multiple locus variable-number tandem repeat analysis-16 revealed four B. abortus clusters. Cluster one and three are intertwined with isolates from other countries, while clusters two and four have only representatives from CR. Cluster one is widely distributed in all regions of the country and may be the primary B. abortus source. The other clusters seem to be restricted to specific areas in CR. The implications of our findings, in relation to the control of the disease in CR, are critically discussed. PMID:28797045

Epidemiology of bovine brucellosis in Costa Rica: Lessons learned from failures in the control of the disease.

PubMed

Hernández-Mora, Gabriela; Ruiz-Villalobos, Nazareth; Bonilla-Montoya, Roberto; Romero-Zúniga, Juan-José; Jiménez-Arias, Julio; González-Barrientos, Rocío; Barquero-Calvo, Elías; Chacón-Díaz, Carlos; Rojas, Norman; Chaves-Olarte, Esteban; Guzmán-Verri, Caterina; Moreno, Edgardo

2017-01-01

Brucellosis, caused by Brucella abortus is a major disease of cattle and a zoonosis. In order to estimate the bovine brucellosis prevalence in Costa Rica (CR), a total 765 herds (13078 bovines) from six regions of CR were randomly sampled during 2012-2013. A non-random sample of 7907 herds (532199 bovines) of the six regions, arriving for diagnoses during 2014-2016 to the Costa Rican Animal Health Service was also studied. The prevalence estimated by Rose Bengal test (RBT) ranged from 10.5%-11.4%; alternatively, the prevalence estimated by testing the RBT positives in iELISA, ranged from 4.1%-6.0%, respectively. However, cattle in CR are not vaccinated with B. abortus S19 but with RB51 (vaccination coverage close to 11%), and under these conditions the RBT displays 99% specificity and 99% sensitivity. Therefore, the RBT herd depicted in the random analysis stands as a feasible assessment and then, the recommended value in case of planning an eradication program in CR. Studies of three decades reveled that bovine brucellosis prevalence has increased in CR. B. abortus was identified by biochemical and molecular studies as the etiological agent of bovine brucellosis. Multiple locus variable-number tandem repeat analysis-16 revealed four B. abortus clusters. Cluster one and three are intertwined with isolates from other countries, while clusters two and four have only representatives from CR. Cluster one is widely distributed in all regions of the country and may be the primary B. abortus source. The other clusters seem to be restricted to specific areas in CR. The implications of our findings, in relation to the control of the disease in CR, are critically discussed.

Electronic, Magnetic, and Redox Properties of [MFe(3)S(4)] Clusters (M = Cd, Cu, Cr) in Pyrococcus furiosus Ferredoxin.

PubMed

Staples, Christopher R.; Dhawan, Ish K.; Finnegan, Michael G.; Dwinell, Derek A.; Zhou, Zhi Hao; Huang, Heshu; Verhagen, Marc F. J. M.; Adams, Michael W. W.; Johnson, Michael K.

1997-12-03

The ground- and excited-state properties of heterometallic [CuFe(3)S(4)](2+,+), [CdFe(3)S(4)](2+,+), and [CrFe(3)S(4)](2+,+) cubane clusters assembled in Pyrococcus furiosus ferredoxin have been investigated by the combination of EPR and variable-temperature/variable-field magnetic circular dichroism (MCD) studies. The results indicate Cd(2+) incorporation into [Fe(3)S(4)](0,-) cluster fragments to yield S = 2 [CdFe(3)S(4)](2+) and S = (5)/(2) [CdFe(3)S(4)](+) clusters and Cu(+) incorporation into [Fe(3)S(4)](+,0) cluster fragments to yield S = (1)/(2) [CuFe(3)S(4)](2+) and S = 2 [CuFe(3)S(4)](+) clusters. This is the first report of the preparation of cubane type [CrFe(3)S(4)](2+,+) clusters, and the combination of EPR and MCD results indicates S = 0 and S = (3)/(2) ground states for the oxidized and reduced forms, respectively. Midpoint potentials for the [CdFe(3)S(4)](2+,+), [CrFe(3)S(4)](2+,+), and [CuFe(3)S(4)](2+,+) couples, E(m) = -470 +/- 15, -440 +/- 10, and +190 +/- 10 mV (vs NHE), respectively, were determined by EPR-monitored redox titrations or direct electrochemistry at a glassy carbon electrode. The trends in redox potential, ground-state spin, and electron delocalization of [MFe(3)S(4)](2+,+) clusters in P. furiosus ferredoxin are discussed as a function of heterometal (M = Cr, Mn, Fe, Co, Ni, Cu, Zn, Cd, and Tl).

Photometric study of open star clusters in II quadrant: Teutsch 1 and Riddle 4

NASA Astrophysics Data System (ADS)

Bisht, D.; Yadav, R. K. S.; Durgapal, A. K.

2016-01-01

We present the broad band UBVI CCD photometry in the region of two open star clusters Teutsch 1 and Riddle 4 located in the second Galactic quadrant. The optical CCD data for these clusters are obtained for the first time. Radii of the clusters are estimated as 3‧.5 for both the clusters. Using two color (U - B) versus (B - V) diagram we determined the reddening as E(B - V) = 0.40 ± 0.05 mag for Teutsch 1 and 1.10 ± 0.05 mag for Riddle 4. Using 2MASS JHK and optical data, we estimated E(J - K) = 0.24 ± 0.05 mag and E(V - K) = 1.40 ± 0.05 mag for Teutsch 1 and E(J - K) = 0.47 ± 0.06 mag and E(V - K) = 2.80 ± 0.06 mag for Riddle 4. Color-excess ratio indicates normal interstellar extinction law in the direction of both the clusters. We estimated distance as 4.3 ± 0.5 Kpc for Teutsch 1 and 2.8 ± 0.2 Kpc for Riddle 4 by comparing the color-magnitude diagram of the clusters with theoretical isochrones. The age of the clusters has been estimated as 200 ± 20 Myr for Teutsch 1 and 40 ± 10 Myr for Riddle 4 using the stellar isochrones of metallicity Z = 0.02 . The Mass function slope has been derived 1.89 ± 0.43 and 1.41 ± 0.70 for Teutsch 1 and Riddle 4 respectively. Our analysis indicates that both the clusters are dynamically relaxed. A slight bend of Galactic disc towards the southern latitude is found in the longitude range l = 130-180°.

Preferred orientation in Cr- and Co-based thin films and its effects on the read/write performance of the media

NASA Astrophysics Data System (ADS)

Tsai, Hsiao-chu; Lal, Brij B.; Eltoukhy, Atef

1992-04-01

This work investigates the formation of preferred crystallographic orientation (PO) in Cr underlayer as well as CoCrTa and CoCrPtTa thin films and its effects on the recording performance of longitudinal media. The results show that the thin-film media with comparable coercivity but different crystalline PO as measured by x-ray diffraction exhibit significant difference in high-frequency signal amplitude, pulse width, and signal-to-noise ratio. To illustrate the effect of PO on parametric performance, CoCrTa/Cr and CoCrPtTa/Cr media were sputtered on different substrates and/or using special sputtering processes to achieve comparable coercivity but different PO in the films. A PO of Cr(200), which normally occurs on the NiP/Al substrates under adequate sputtering conditions, is found to be the key to obtaining a PO of Co(11.0) in Co-alloy media. The consequence of preferred in-plane c-axis orientation is a higher coercivity and better parametric performance of the medium. The formation of PO in the Cr underlayer is found to be related to the substrate material and the oxygen content in the sputtered films. The nonmetallic canasite substrates tend to promote PO of more stable Cr(110) rather than Cr(200). Consequently, this leads to a PO of out-of-plane c axis on the following Co films. The PO of magnetic layer appears to be an important factor in determining the parametric performance of the media.

Microarray-based analysis of gene expression in lycopersicon esculentum seedling roots in response to cadmium, chromium, mercury, and lead.

PubMed

Hou, Jing; Liu, Xinhui; Wang, Juan; Zhao, Shengnan; Cui, Baoshan

2015-02-03

The effects of heavy metals in agricultural soils have received special attention due to their potential for accumulation in crops, which can affect species at all trophic levels. Therefore, there is a critical need for reliable bioassays for assessing risk levels due to heavy metals in agricultural soil. In the present study, we used microarrays to investigate changes in gene expression of Lycopersicon esculentum in response to Cd-, Cr-, Hg-, or Pb-spiked soil. Exposure to (1)/10 median lethal concentrations (LC50) of Cd, Cr, Hg, or Pb for 7 days resulted in expression changes in 29 Cd-specific, 58 Cr-specific, 192 Hg-specific and 864 Pb-specific genes as determined by microarray analysis, whereas conventional morphological and physiological bioassays did not reveal any toxicant stresses. Hierarchical clustering analysis showed that the characteristic gene expression profiles induced by Cd, Cr, Hg, and Pb were distinct from not only the control but also one another. Furthermore, a total of three genes related to "ion transport" for Cd, 14 genes related to "external encapsulating structure organization", "reproductive developmental process", "lipid metabolic process" and "response to stimulus" for Cr, 11 genes related to "cellular metabolic process" and "cellular response to stimulus" for Hg, 78 genes related to 20 biological processes (e.g., DNA metabolic process, monosaccharide catabolic process, cell division) for Pb were identified and selected as their potential biomarkers. These findings demonstrated that microarray-based analysis of Lycopersicon esculentum was a sensitive tool for the early detection of potential toxicity of heavy metals in agricultural soil, as well as an effective tool for identifying the heavy metal-specific genes, which should be useful for assessing risk levels due to heavy metals in agricultural soil.

Gait Dynamics and Locomotor Metabolism

DTIC Science & Technology

2014-12-01

26 47. Taylor CR, Heglund NC, Maloiy GMO . Energetics and mechanics of terrestrial locomotion. I. Metabolic energy consumption as a function of...San Diego, CA: Academic Press, 1994. 110 47. Taylor CR, Heglund NC, Maloiy GMO . Energetics and mechanics of terrestrial locomotion. I. Metabolic

Slip and Twinning in the [ 1 ¯ $ /line{mathbf{1}} $ 49]-Oriented Single Crystals of a High-Entropy Alloy

NASA Astrophysics Data System (ADS)

Kireeva, I. V.; Chumlyakov, Yu. I.; Pobedennaya, Z. V.; Platonova, Yu. N.; Kuksgauzen, I. V.; Kuksgauzen, D. A.; Poklonov, V. V.; Karaman, I.; Sehitoglu, H.

2016-12-01

Using [ overline{1} 49] - oriented single crystals of an FCC Fe20Ni20Mn20Cr20Co20 (at.%) high-entropy alloy subjected to tensile deformation, the temperature dependence of critical resolved shear stresses τcr(T) and the deformation mechanism of slip and twinning are investigated in the early stages of deformation at ɛ ≤ 5% within the temperature interval T = 77-573 K. It is shown that τcr increases with decreasing the testing temperature and the τcr(T) temperature dependence is controlled by the slip of perfect dislocations a/2<110>. The early deformation stages ɛ ≤ 5% are associated with the development of planar slip by pileups of perfect dislocations a/2<110>, stacking faults and mechanical twins, which is observed in the temperature interval from 77 to 423 K. A comparison of the temperature dependence τcr(T) and the development of mechanical twinning is performed between the [ overline{1} 49] -oriented single crystals of the Fe20Ni20Mn20Cr20Co20 high-entropy alloy, the single crystals of the austenitic stainless steel, Fe - 18% Cr - 12% Ni - 2Mo (wt.%) without nitrogen atoms (Steel 316) and Hadfield steel, Fe - 13% Mn - (1-1.3)% C (wt.%).

Facet-Dependent Cr(VI) Adsorption of Hematite Nanocrystals.

PubMed

Huang, Xiaopeng; Hou, Xiaojing; Song, Fahui; Zhao, Jincai; Zhang, Lizhi

2016-02-16

In this study, the adsorption process of Cr(VI) on the hematite facets was systematically investigated with synchrotron-based Cr K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy, in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, density-functional theory calculation, and surface complexation models. Structural model fitting of EXAFS spectroscopy suggested that the interatomic distances of Cr-Fe were, respectively, 3.61 Å for the chromate coordinated hematite nanoplates with exposed {001} facets, 3.60 and 3.30 Å for the chromate coordinated hematite nanorods with exposed {001} and {110} facets, which were characteristic of inner-sphere complexation. In situ ATR-FTIR spectroscopy analysis confirmed the presence of two inner-sphere surface complexes with C3ν and C2ν symmetry, while the C3ν and C2ν species were assigned to monodentate and bidentate inner-sphere surface complexes with average Cr-Fe interatomic distances of 3.60 and 3.30 Å, respectively. On the basis of these experimental and theoretical results, we concluded that HCrO4(-) as dominated Cr(VI) species was adsorbed on {001} and {110} facets in inner-sphere monodentate mononuclear and bidentate binuclear configurations, respectively. Moreover, the Cr(VI) adsorption performance of hematite facets was strongly dependent on the chromate complexes formed on the hematite facets.

Composition design for Laves phase-related body-centered cubic-V solid solution alloys with large hydrogen storage capacities.

PubMed

Wang, H B; Wang, Q; Dong, C; Yuan, L; Xu, F; Sun, L X

2008-03-19

This paper analyzes the characteristics of alloy compositions with large hydrogen storage capacities in Laves phase-related body-centered cubic (bcc) solid solution alloy systems using the cluster line approach. Since a dense-packed icosahedral cluster A(6)B(7) characterizes the local structure of AB(2) Laves phases, in an A-B-C ternary system, such as Ti-Cr (Mn, Fe)-V, where A-B forms AB(2) Laves phases while A-C and B-C tend to form solid solutions, a cluster line A(6)B(7)-C is constructed by linking A(6)B(7) to C. The alloy compositions with large hydrogen storage capacities are generally located near this line and are approximately expressed with the cluster-plus-glue-atom model. The cluster line alloys (Ti(6)Cr(7))(100-x)V(x) (x = 2.5-70 at.%) exhibit different structures and hence different hydrogen storage capacities with increasing V content. The alloys (Ti(6)Cr(7))(95)V(5) and Ti(30)Cr(40)V(30) with bcc solid solution structure satisfy the cluster-plus-glue-atom model.

Irradiation-enhanced α' precipitation in model FeCrAl alloys

DOE PAGES

Edmondson, Philip D.; Briggs, Samuel A.; Yamamoto, Yukinori; ...

2016-02-17

We have irradiated the model FeCrAl alloys with varying compositions (Fe(10–18)Cr(10–6)Al at.%) with a neutron at ~ 320 to damage levels of ~ 7 displacements per atom (dpa) to investigate the compositional influence on the formation of irradiation-induced Cr-rich α' precipitates using atom probe tomography. In all alloys, significant number densities of these precipitates were observed. Cluster compositions were investigated and it was found that the average cluster Cr content ranged between 51.1 and 62.5 at.% dependent on initial compositions. Furthermore, this is significantly lower than the Cr-content of α' in binary FeCr alloys. As a result, significant partitioning ofmore » the Al from the α' precipitates was also observed.« less

Corrosion of low alloy steel containing 0.5% chromium in supercritical CO2-saturated brine and water-saturated supercritical CO2 environments

NASA Astrophysics Data System (ADS)

Wei, Liang; Gao, Kewei; Li, Qian

2018-05-01

The corrosion behavior of P110 low-Cr alloy steel in supercritical CO2-saturated brine (aqueous phase) and water-saturated supercritical CO2 (SC CO2 phase) was investigated. The results show that P110 steel primarily suffered general corrosion in the aqueous phase, while severe localized corrosion occurred in the SC CO2 phase. The formation of corrosion product scale on P110 steel in the aqueous phase divided into three stages: formation of the initial corrosion layer containing amorphous Cr(OH)3, FeCO3 and a small amount of Fe3C; transformation of initial corrosion layer to mixed layer, which consisted of FeCO3 and a small amount of Cr(OH)3 and Fe3C; growth and dissolution of the mixed layer. Finally, only a single mixed layer covered on the steel in the aqueous phase. However, the scale formed in SC CO2 phase consisted of two layers: the inner mixed layer and the dense outer FeCO3 crystalline layer.

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

Zhu, Jia, E-mail: jia-zhu@jxnu.edu.cn, E-mail: zhangyf@fzu.edu.cn; Zhang, Hui; Tong, Yawen

The structures and electronic properties of bimetallic oxide CrW{sub 2}O{sub 9} clusters supported on the perfect and defective MgO(001) surfaces with three different color centers, F{sub S}{sup 0}, F{sub S}{sup +}, and F{sub S}{sup 2+} centers, respectively, have been investigated by density functional theory calculations. Our results show that the configurations, adsorption energies, charge transfers, and bonding modes of dispersed CrW{sub 2}O{sub 9} clusters are sensitive to the charge states of the F{sub S} centers. Compared with the gas-phase configuration, the CrW{sub 2}O{sub 9} clusters supported on the defective surfaces are distorted dramatically, which exhibit different chain structures. On themore » perfect MgO surface, the depositions of clusters do not involve obvious charge transfer, while the situation is quite different on the defective MgO(001) surfaces in which significant electron transfer occurs from the surface to the cluster. Interestingly, this effect becomes more remarkable for electron-rich oxygen vacancies (F{sub S}{sup 0} center) than that for electron-poor oxygen vacancies (F{sub S}{sup +} and F{sub S}{sup 2+} centers). Furthermore, our work reveals a progressive Brønsted acid sites where spin density preferentially localized around the Cr atoms not the W atoms for all kinds of F{sub S}-centers, indicating the better catalytic activities can be expected for CrW{sub 2}O{sub 9} cluster on defective MgO(001) surfaces with respect to the W{sub 3}O{sub 9} cluster.« less

42 CFR § 512.110 - Access to records and retention.

Code of Federal Regulations, 2010 CFR

2017-10-01

... SERVICES (CONTINUED) HEALTH CARE INFRASTRUCTURE AND MODEL PROGRAMS EPISODE PAYMENT MODEL Episode Payment Model Participants § 512.110 Access to records and retention. EPM participants, EPM collaborators... requirements and, if applicable, the individual's or entity's compliance with CR incentive payment model...

Fabrication and Properties of Cr2O3 and La0.7Sr0.3MnO3 Thin Film Heterostructures Integrated on Si(001)

NASA Astrophysics Data System (ADS)

Punugupati, Sandhyarani

Spintronics that utilizes both the spin and charge degrees of freedom of an electron is emerged as an alternate memory technology to conventional CMOS electronics. Many proposed spintronic devices require multifunctional properties in a single material. The oxides Cr2O3 and La0.7Sr0.3MnO3 are such materials which exhibit unique physical properties at room temperature. The Cr2O3 is an antiferromagnetic and magnetoelectric material below its Neel temperature 307K. The La0.7Sr0.3MnO3 is a ferromagnetic half metal with a Curie temperature of 360K and exhibits colossal magnetoresistance. However, the reach of this spintronic technology into more device applications is possible only when these materials in epitaxial thin film form are integrated with Si(001) which is the mainstay substrate in semiconductor industry. The primary objective of this dissertation was to integrate epitaxial Cr2O3, La0.7Sr0.3MnO3 and Cr2O3/La0.7Sr0.3MnO3 thin film heterostructure on Si(001) and, study their physical properties to investigate structure-processing-property relationship in these heterostructures. The epitaxial integration of Cr2O3 thin films on Si(001) was done using epitaxial cubic yttria stabilized zirconia (c-YSZ) buffer layer by pulsed laser deposition. Detailed structural characterizations XRD (2theta and phi) and TEM confirm the epitaxial nature of the films. Though bulk Cr2O3 is antiferromagnetic along the c-axis, the in-plane magnetization measurements on Cr2O3(0001) thin films showed ferromagnetic behavior up to 400K. The thickness dependent magnetization together with oxygen annealing results suggested that the in-plane ferromagnetism in Cr2O3 was due to the oxygen related defects whose concentration is controlled by strain in the films. The out-of-plane magnetic measurements on Cr2O3(0001) films showed magnetic behavior indicative of antiferromagnetic nature. To verify whether ferromagnetism can be induced by strain in Cr 2O3 thin films with orientation other than (0001), epitaxial thin films were prepared on r-Al2O3 substrate and their magnetic properties were studied. The XRD (2theta and phi) and TEM confirm that the films were grown epitaxially. The epitaxial relations were given as: [011¯2]Cr2O3 || [011¯2]Al2O 3 and [1¯1¯20]Cr2O3 || [1¯1¯20]Al 2O3. The as-deposited films showed ferromagnetic behavior up to 400K but it almost vanished with oxygen annealing. The Raman spectroscopy data together with strain measurements using XRD indicated that ferromagnetism in r-Cr2O3 thin films was due to the strain caused by defects such as oxygen vacancies. Bi-epitaxial La0.7Sr0.3MnO3(110) thin films were integrated on Si(100) with c-YSZ/SrTiO3(STO) buffer layers by pulsed laser deposition. The La0.7Sr0.3MnO 3 and STO thin films had a single [110] out-of-plane orientation but with two in-plane domain variants as confirmed from XRD and TEM study. The growth of STO on c-YSZ was explained by the domain matching epitaxy paradigm. The epitaxial relationship between STO and c-YSZ were written as [110](001)c-YSZ || [1¯11¯](110)STO (or) [110](001)c-YSZ || [1¯12¯](110)STO. The La0.7Sr0.3MnO3 thin films were ferromagnetic with Curie temperature 324K. They also exhibited hysteresis in magnetoresistance under both in-plane and out-of-plane magnetic fields. The highest magnetoresistance in this study was -32% at 50K and 50 kOe for in-plane configuration. Lastly, the epitaxial La0.7Sr0.3MnO3-delta -d(LSMO)/Cr2O3 bilayer structure was integrated with Si(001) using c-YSZ by pulsed laser deposition. The XRD (2theta and phi) and TEM characterizations confirm that the films were grown epitaxially. The epitaxial relations were written as [0001]Cr2O3 || [111]LSMO and [112¯0]Cr2O3 || [101¯]LSMO. Interestingly, when the LSMO thickness was increased from 66 to 528 nm (Cr2O 3=55nm), the magnetization increased by 2-fold and the magnetic nature changed from ferromagnetic to super paramagnetic. In addition, LSMO/Cr 2O3 showed in-plane exchange bias. We believe that the change in the magnetic anisotropy as a function of LSMO layer thickness could cause the change in magnetization and magnetic nature. The magnetic phase separation in oxygen deficient LSMO layer could lead to in-plane exchange bias as Cr 2O3 is not expected to show in-plane exchange.

Magnetic cluster expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys

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

Lavrentiev, M. Yu., E-mail: Mikhail.Lavrentiev@ukaea.uk; Nguyen-Manh, D.; Dudarev, S. L.

A Magnetic Cluster Expansion model for ternary face-centered cubic Fe-Ni-Cr alloys has been developed, using DFT data spanning binary and ternary alloy configurations. Using this Magnetic Cluster Expansion model Hamiltonian, we perform Monte Carlo simulations and explore magnetic structures of alloys over the entire range of compositions, considering both random and ordered alloy structures. In random alloys, the removal of magnetic collinearity constraint reduces the total magnetic moment but does not affect the predicted range of compositions where the alloys adopt low-temperature ferromagnetic configurations. During alloying of ordered fcc Fe-Ni compounds with Cr, chromium atoms tend to replace nickel rathermore » than iron atoms. Replacement of Ni by Cr in ordered alloys with high iron content increases the Curie temperature of the alloys. This can be explained by strong antiferromagnetic Fe-Cr coupling, similar to that found in bcc Fe-Cr solutions, where the Curie temperature increase, predicted by simulations as a function of Cr concentration, is confirmed by experimental observations. In random alloys, both magnetization and the Curie temperature decrease abruptly with increasing chromium content, in agreement with experiment.« less

Chiral and achiral phosphine derivatives of alkylidyne tricobalt carbonyl clusters as catalyst precursors for (asymmetric) inter- and intramolecular Pauson-Khand reactions.

PubMed

Moberg, Viktor; Mottalib, M Abdul; Sauer, Désirée; Poplavskaya, Yulia; Craig, Donald C; Colbran, Stephen B; Deeming, Antony J; Nordlander, Ebbe

2008-05-14

Phosphine derivatives of alkylidyne tricobalt carbonyl clusters have been tested as catalysts/catalyst precursors in intermolecular and (asymmetric) intramolecular Pauson-Khand reactions. A number of new phosphine derivatives of the tricobalt alkylidyne clusters [Co3(micro3-CR)(CO)9] (R = H, CO2Et) were prepared and characterised. The clusters [Co3(micro3-CR)(CO)9-x(PR'3)x] (PR'3 = achiral or chiral monodentate phosphine, x = 1-3) and [Co3(micro3-CR)(CO)7)(P-P)] (P-P = chiral diphosphine; 1,1'- and 1,2-structural isomers) were assayed as catalysts for intermolecular and (asymmetric) intramolecular Pauson-Khand reactions. The phosphine-substituted tricobalt clusters proved to be viable catalysts/catalyst precursors that gave moderate to very good product yields (up to approximately 90%), but the enantiomeric excesses were too low for the clusters to be of practical use in the asymmetric reactions.

The Magellanic Bridge Cluster NGC 796: Deep Optical AO Imaging Reveals the Stellar Content and Initial Mass Function of a Massive Open Cluster

NASA Astrophysics Data System (ADS)

Kalari, Venu M.; Carraro, Giovanni; Evans, Christopher J.; Rubio, Monica

2018-04-01

NGC 796 is a massive young cluster located 59 kpc from us in the diffuse intergalactic medium of the 1/5–1/10 Z⊙ Magellanic Bridge, allowing us to probe variations in star formation and stellar evolution processes as a function of metallicity in a resolved fashion, and providing a link between resolved studies of nearby solar-metallicity and unresolved distant metal-poor clusters located in high-redshift galaxies. In this paper, we present adaptive optics griHα imaging of NGC 796 (at 0.″5, which is ∼0.14 pc at the cluster distance) along with optical spectroscopy of two bright members to quantify the cluster properties. Our aim is to explore whether star formation and stellar evolution vary as a function of metallicity by comparing the properties of NGC 796 to higher-metallicity clusters. We find an age of {20}-5+12 Myr from isochronal fitting of the cluster main sequence in the color–magnitude diagram. Based on the cluster luminosity function, we derive a top-heavy stellar initial mass function (IMF) with a slope α = 1.99 ± 0.2, hinting at a metallicity and/or environmental dependence of the IMF, which may lead to a top-heavy IMF in the early universe. Study of the Hα emission-line stars reveals that classical Be stars constitute a higher fraction of the total B-type stars when compared with similar clusters at greater metallicity, providing some support to the chemically homogeneous theory of stellar evolution. Overall, NGC 796 has a total estimated mass of 990 ± 200 M⊙, and a core radius of 1.4 ± 0.3 pc, which classifies it as a massive young open cluster, unique in the diffuse interstellar medium of the Magellanic Bridge.

Adsorption of Atoms of 3 d Metals on the Surfaces of Aluminum and Magnesium Oxide Films

NASA Astrophysics Data System (ADS)

Ramonova, A. G.; Kibizov, D. D.; Kozyrev, E. N.; Zaalishvili, V. B.; Grigorkina, G. S.; Fukutani, K.; Magkoev, T. T.

2018-01-01

The adsorption and formation of submonolayer structures of Ti, Cr, Fe, Ni, Cu on the surfaces of aluminum and magnesium oxide films formed on Mo(110) under ultrahigh vacuum conditions are studied via X-ray, ultraviolet photo-, and Auger electron spectroscopy (XPS, UVES, AES); spectroscopy of energy losses of high-resolution electrons (SELHRE); spectroscopy of the backscattering of low-energy ions (SBSLEI); infrared absorption spectroscopy (IAS); and the diffraction of slow electrons (DSE). Individual atoms and small clusters of all the investigated metals deposited on oxides acquire a positive charge, due presumably to interaction with surface defects. As the concentration of adatoms increases when the adsorption centers caused by defects are filled, charge transfer from adatoms to substrates is reduced. This is accompanied by further depolarization caused by the lateral interaction of adatoms.

Effects of Alfvénic Drift on Diffusive Shock Acceleration at Weak Cluster Shocks

NASA Astrophysics Data System (ADS)

Kang, Hyesung; Ryu, Dongsu

2018-03-01

Non-detection of γ-ray emission from galaxy clusters has challenged diffusive shock acceleration (DSA) of cosmic-ray (CR) protons at weak collisionless shocks that are expected to form in the intracluster medium. As an effort to address this problem, we here explore possible roles of Alfvén waves self-excited via resonant streaming instability during the CR acceleration at parallel shocks. The mean drift of Alfvén waves may either increase or decrease the scattering center compression ratio, depending on the postshock cross-helicity, leading to either flatter or steeper CR spectra. We first examine such effects at planar shocks, based on the transport of Alfvén waves in the small amplitude limit. For the shock parameters relevant to cluster shocks, Alfvénic drift flattens the CR spectrum slightly, resulting in a small increase of the CR acceleration efficiency, η. We then consider two additional, physically motivated cases: (1) postshock waves are isotropized via MHD and plasma processes across the shock transition, and (2) postshock waves contain only forward waves propagating along with the flow due to a possible gradient of CR pressure behind the shock. In these cases, Alfvénic drift could reduce η by as much as a factor of five for weak cluster shocks. For the canonical parameters adopted here, we suggest η ∼ 10‑4–10‑2 for shocks with sonic Mach number M s ≈ 2–3. The possible reduction of η may help ease the tension between non-detection of γ-rays from galaxy clusters and DSA predictions.

Interactions among cluster-root investment, leaf phosphorus concentration, and relative growth rate in two Lupinus species.

PubMed

Wang, Xing; Veneklaas, Erik J; Pearse, Stuart J; Lambers, Hans

2015-09-01

Cluster-root (CR) formation is a desirable trait to improve phosphorus (P) acquisition as global P resources are dwindling. CRs in some lupine species are suppressed at higher P status. Whether increased growth rate enhances CR formation due to a "dilution" of leaf P concentration is unknown. We investigated interactive effects of leaf P status and relative growth rate (RGR) on CR formation in two Lupinus species, which differ in their CR biomass investment. Variation in RGR was imposed by varying day length. Lupinus albus and L. pilosus were grown hydroponically with KH2PO4 at a day length of 6, 10, or 14 h. We used a slightly higher P supply at longer day lengths to avoid a decline in leaf P concentration, which would induce CRs. Cluster-root percentage, leaf P concentrations, and RGR were determined at 22, 38, and 52 d after sowing. Lupinus species grown at similar root P availability, but with a faster growth rate, as dependent on day length, showed a greater CR percentage. Because our aim to achieve exactly the same leaf P concentrations at different day lengths was only partially achieved, we carried out a multiple regression analysis. This analysis showed the CR percentage was strongly and negatively correlated with plant P status and only marginally and positively correlated with RGR. The two Lupinus species invariably formed fewer cluster roots at higher leaf P status, irrespective of RGR. Differences in RGR or leaf P concentration cannot explain the species-specific variation in cluster-root investment. © 2015 Botanical Society of America.

Hormonal interactions during cluster-root development in phosphate-deficient white lupin (Lupinus albus L.).

PubMed

Wang, Zhengrui; Rahman, A B M Moshiur; Wang, Guoying; Ludewig, Uwe; Shen, Jianbo; Neumann, Günter

2015-04-01

This study addresses hormonal interactions involved in cluster-root (CR) development of phosphate (Pi)-deficient white lupin (Lupinus albus), which represents the most efficient plant strategy for root-induced mobilisation of sparingly soluble soil phosphorus (P) sources. Shoot-to-root translocation of auxin was unaffected by P-limitation, while strong stimulatory effects of external sucrose on CR formation, even in P-sufficient plants, suggest sucrose, rather than auxins, acts as a shoot-borne signal, triggering the induction of CR primordia. Ethylene may act as mediator of the sucrose signal, as indicated by moderately increased expression of genes involved in ethylene biosynthesis in pre-emergent clusters and by strong inhibitory effects of the ethylene antagonist CoCl2 on CR formation induced by sucrose amendments or P-limitation. As reported in other plants, moderately increased production of brassinosteroids (BRs) and cytokinin, in pre-emergent clusters, may be required for the formation of auxin gradients necessary for induction of CR primordia via interference with auxin biosynthesis and transport. The well-documented inhibition of root elongation by high doses of ethylene may be involved in the growth inhibition of lateral rootlets during CR maturation, indicated by a massive increased expression of gene involved in ethylene production, associated with a declined expression of transcripts with stimulatory effects (BR and auxin-related genes). Copyright © 2014 Elsevier GmbH. All rights reserved.

Density-functional theory study of the geometries, stabilities, and electronic properties of Au n Rb (n = 1-10) clusters: comparison with pure gold clusters

NASA Astrophysics Data System (ADS)

Hu, Yan-Fei; Jiang, Gang; Meng, Da-Qiao

2012-01-01

The density functional method with the relativistic effective core potential has been employed to investigate systematically the geometric structures, relative stabilities, growth-pattern behavior, and electronic properties of small bimetallic Au n Rb (n = 1-10) and pure gold Au n (n ≤ 11) clusters. For the geometric structures of the Au n Rb (n = 1-10) clusters, the dominant growth pattern is for a Rb-substituted Au n +1 cluster or one Au atom capped on a Au n -1Rb cluster, and the turnover point from a two-dimensional to a three-dimensional structure occurs at n = 4. Moreover, the stability of the ground-state structures of these clusters has been examined via an analysis of the average atomic binding energies, fragmentation energies, and the second-order difference of energies as a function of cluster size. The results exhibit a pronounced even-odd alternation phenomenon. The same pronounced even-odd alternations are found for the HOMO-LUMO gap, VIPs, VEAs, and the chemical hardness. In addition, about one electron charge transfers from the Au n host to the Rb atom in each corresponding Au n Rb cluster.

Evaluation of the effects of food on levodropropizine controlled-release tablet and its pharmacokinetic profile in comparison to that of immediate-release tablet.

PubMed

Lee, Soyoung; Nam, Kyu-Yeol; Oh, Jaeseong; Lee, SeungHwan; Cho, Sang-Min; Choi, Youn-Woong; Cho, Joo-Youn; Lee, Beom-Jin; Hong, Jang Hee

2018-01-01

Levodropropizine is a non-opioid antitussive agent that inhibits cough reflex by reducing the release of sensory peptide in the peripheral region. To improve patients' compliance, a controlled-release (CR) tablet is under development. The aim of this study was to compare the pharmacokinetic (PK) profiles of the CR and immediate-release (IR) tablets of levodropropizine. In addition, the effect of food on the PK properties of levodropropizine CR tablet in healthy subjects was evaluated. A randomized, open-label, multiple-dose, three-treatment, three-period, six-sequence, crossover study was conducted on 47 healthy subjects. All subjects were randomly assigned to one of the six sequences, which involve combinations of the following three treatments: levodropropizine IR 60 mg three times in the fasted state (R), levodropropizine CR 90 mg two times in the fasted state (T), and levodropropizine CR 90 mg two times in the fed state (TF). Serial blood samples were collected up to 24 h after the first dose. Tolerability was assessed based on the vital signs, adverse events (AEs), and clinical laboratory tests. Levodropropizine CR showed lower maximum drug concentration ( C max ) and similar total exposure compared to levodropropizine IR. The geometric mean ratios (GMRs) (90% confidence intervals [CIs]) of T to R for the C max and area under the concentration-time curve from the 0 to 24 h time points (AUC 0-24h ) were 0.80 (0.75-0.85) and 0.89 (0.86-0.93), respectively. In the fed group, levodropropizine CR showed exposure similar to that in the fasted group. The GMRs (90% CIs) of TF to T for the C max and AUC 0-24h were 0.90 (0.85-0.97) and 1.10 (1.05-1.14), respectively. No serious AEs occurred with both levodropropizine CR and IR tablets. Total systemic exposure for levodropropizine was similar in subjects receiving the CR and IR formulations in terms of the AUC. Although food delayed the absorption of levodropropizine CR, systemic exposure was not affected.

Probing the structural and electronic properties of cationic rubidium-gold clusters: [AunRb]+ (n = 1-10)

NASA Astrophysics Data System (ADS)

Zhao, Ya-Ru; Zhang, Hai-Rong; Qian, Yu; Duan, Xu-Chao; Hu, Yan-Fei

2016-03-01

Density functional theory has been applied to study the geometric structures, relative stabilities, and electronic properties of cationic [AunRb]+ and Aun + 1+ (n = 1-10) clusters. For the lowest energy structures of [AunRb]+ clusters, the planar to three-dimensional transformation is found to occur at cluster size n = 4 and the Rb atoms prefer being located at the most highly coordinated position. The trends of the averaged atomic binding energies, fragmentation energies, second-order difference of energies, and energy gaps show pronounced even-odd alternations. It indicated that the clusters containing odd number of atoms maintain greater stability than the clusters in the vicinity. In particular, the [Au6Rb]+ clusters are the most stable isomer for [AunRb]+ clusters in the region of n = 1-10. The charges in [AunRb]+ clusters transfer from the Rb atoms to Aun host. Density of states revealed that the Au-5d, Au-5p, and Rb-4p orbitals hardly participated in bonding. In addition, it is found that the most favourable channel of the [AunRb]+ clusters is Rb+ cation ejection. The electronic localisation function (ELF) analysis of the [AunRb]+ clusters shown that strong interactions are not revealed in this study.

Investigation on structure, electronic and magnetic properties of Cr doped (ZnO)12 clusters: First-principles calculations

NASA Astrophysics Data System (ADS)

Liu, Huan; Zhang, Jian-Min

2018-05-01

The structural, electronic, and magnetic properties of (ZnO)12 clusters doped with Cr atoms have been investigated by using spin-polarized first-principles calculations. The exohedral a3 isomer is favorable than endohedral a2 isomer. The isomer a1 and a5 respectively have the narrowest and biggest gap between highest unoccupied molecular orbital and the lowest unoccupied molecular orbital (HOMO-LUMO) of 0.473 and 1.291 eV among these five monodoped isomers. The magnetic moment may be related to the local environment around the Cr atom that the a2 isomer whose total magnetic moment is 6 μB while the other monodoped isomers which all isomers have nearly total magnetic moments 4 μB . For Cr-doped (ZnO)12 on a1 or a3 isomer, the DOS of spin-up channel cross the Fermi level EF showing a finite magnitude near the Fermi level which might be useful for half metallic character. For the bidoped cases, the exohedral isomers are found to be most favorable. Including all bipoed isomers of substitutional, exohedral and endohedral bidoped clusters, the total magnetic moment of the ferromagnetic (antiferromagnetic) state is 8 (0) μB and the HOMO-LUMO gap of antiferromagnetic state is slightly larger than that of ferromagnetic state. The magnetic coupling between the Cr atoms in bidoped configurations is mainly governed by the competition between direct Cr and Cr atoms antiferromagnetic interaction and the ferromagnetic interaction between two Cr atoms via O atom due to strong p-d hybridization. Most importantly, we show that the exohedral bidoped (ZnO)12 clusters favor the ferromagnetic state, which may have the future applications in spin-dependent magneto-optical and magneto-electrical devices.

CHEMICAL ABUNDANCES OF MEMBER STARS IN THE OPEN CLUSTER NGC 2632 (PRAESEPE)

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

Yang, X. L.; Chen, Y. Q.; Zhao, G.

2015-11-15

Based on high-resolution, high signal-to-noise ratio spectra, we present abundances of 17 elements (Fe, O, Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Co, Ni, Y, Zr, Ba, La) for six stars (one Am star, one F dwarf star, and four GK giant stars) and radial velocities for 18 proper-motion selected member stars in the open cluster NGC 2632. In the Am star, s-process elements Y and Ba are clearly overabundant, which may be considered as an indicator of a peculiar Am star. The average [Fe/H] is 0.16 ± 0.06 from four GK giant member stars, which is similarmore » to that of solar-type stars in the literature. As compared with dwarf stars, significant overabundances are found for Na, Mg, and Ba elements in our giant stars, which can be explained by the evolutionary effect. We also detect a star-to-star scatter of [Na/Fe] ratios among four giants which locate approximately at the same position in the CMD. Finally, we perform an analysis on the possible connection between the abundance and spatial structure of NGC 2632, but we find no inhomogeneous abundance among different clumps of stars in this cluster based on our limited sample.« less

Why CO bonds side-on at low coverage and both side-on and upright at high coverage on the Cr(110) surface

NASA Technical Reports Server (NTRS)

Mehandru, S. P.; Anderson, A. B.

1985-01-01

An atom superposition and electron delocalization molecular orbital study of CO adsorption on the Cr(110) surface shows a high coordinate lying down orientation is favored. This is a result of the large number of empty d-band energy levels in chromium, which allows the antibonding counterparts to sigma and pi donation bonds to the surface to be empty. When lying down, backbonding to CO pi sup * orbitals is enhanced. Repulsive interactions cause additional CO to stand upright at 1/4 monolyer coverage. The results confirm the recent experimental study of Shinn and Madey.

Star clusters and K2

NASA Astrophysics Data System (ADS)

Dotson, Jessie; Barentsen, Geert; Cody, Ann Marie

2018-01-01

The K2 survey has expanded the Kepler legacy by using the repurposed spacecraft to observe over 20 star clusters. The sample includes open and globular clusters at all ages, including very young (1-10 Myr, e.g. Taurus, Upper Sco, NGC 6530), moderately young (0.1-1 Gyr, e.g. M35, M44, Pleiades, Hyades), middle-aged (e.g. M67, Ruprecht 147, NGC 2158), and old globular clusters (e.g. M9, M19, Terzan 5). K2 observations of stellar clusters are exploring the rotation period-mass relationship to significantly lower masses than was previously possible, shedding light on the angular momentum budget and its dependence on mass and circumstellar disk properties, and illuminating the role of multiplicity in stellar angular momentum. Exoplanets discovered by K2 in stellar clusters provides planetary systems ripe for modeling given the extensive information available about their ages and environment. I will review the star clusters sampled by K2 across 16 fields so far, highlighting several characteristics, caveats, and unexplored uses of the public data set along the way. With fuel expected to run out in 2018, I will discuss the closing Campaigns, highlight the final target selection opportunities, and explain the data archive and TESS-compatible software tools the K2 mission intends to leave behind for posterity.

Observation of magnetization reversal and magnetocaloric effect in manganese modified EuCrO3 orthochromites

NASA Astrophysics Data System (ADS)

Kumar, Surendra; Coondoo, Indrani; Vasundhara, M.; Puli, Venkata S.; Panwar, Neeraj

2017-08-01

We report here an investigation on the structural, magnetic and magnetocaloric properties of Mn doped EuCr0.85Mn0.15O3 (ECMO) chromites synthesized via ceramic route. The compound crystallized into distorted orthorhombic structure with Pnma space group similar to that of its parent EuCrO3 compound, as revealed from the refined of x-ray powder diffraction pattern, but with an increase in the lattice volume. Neel temperature, noticed at 162 K from the temperature variation of magnetization, smaller than that reported for pristine EuCrO3; indicated the influence of Mn3+ substitution in decreasing the antiferromagnetic ordering. Magnetization reversal evolved in the studied compound under lower field while such feature was absent in the undoped EuCrO3. Magnetocaloric effect was measured through the magnetic entropy change and relative cooling power. Near the spin reorientation transition temperature 40 K, the magnetic entropy change was equal to 3.788 J kg-1 K-1 under 90 kOe field with 215.22 J kg-1relative cooling power. The results have been understood in terms of the competition between Cr-rich clusters, Mn-rich clusters and local Mn-Cr ordered clusters and their different temperature dependency.

Magnetic interaction reversal in watermelon nanostructured Cr-doped Fe nanoclusters

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

Kaur, Maninder; Dai, Qilin; Bowden, Mark

2013-01-01

Cr-doped core-shell Fe/Fe-oxide nanoclusters (NCs) were synthesized at varied atomic percentages of Cr from 0 at. % to 8 at. %. The low concentrations of Cr (<10 at. %) were selected in order to inhibit the complete conversion of the Fe-oxide shell to Cr2O3 and the Fe core to FeCr alloy. The magnetic interaction in Fe/Fe-oxide NCs (rv25 nm) can be controlled by antiferromagnetic Cr-dopant. We report the origin of r-FeCr phase at very low Cr concentration (2 at. %) unlike in previous studies, and the interaction reversal from dipolar to exchange interaction in watermelon-like Cr-doped core-shell NCs. The giantmore » magnetoresistance (GMR) effect,1,2 where an antiferromagnetic (AFM) exchange coupling exists between two ferromagnetic (FM) layers separated by a certain type of magnetic or non-magnetic spacer,3 has significant potential for application in the magnetic recording industry. Soon after the discovery of the GMR, the magnetic properties of multilayer systems (FeCr) became a subject of intensive study. The application of bulk iron-chromium (Fe-Cr) alloys has been of great interest, as these alloys exhibit favorable prop- erties including corrosion resistance, high strength, hardness, low oxidation rate, and strength retention at elevated temper- ature. However, the structural and magnetic properties of Cr-doped Fe nanoclusters (NCs) have not been investigated in-depth. Of all NCs, Fe-based clusters have unique magnetic properties as well as favorable catalytic characteristics in reactivity, selectivity, and durability.4 The incorporation of dopant of varied type and concentration in Fe can modify its chemical ordering, thereby optimizing its electrical, optical, and magnetic properties and opening up many new applications. The substitution of an Fe atom (1.24 A°) by a Cr atom (1.25 A° ) can easily modify the magnetic properties, since (i) the curie temperature (Tc ) of Fe is 1043 K, while Cr is an itinerant AFM with a bulk Neel temperature TN =311 K, and (ii) Fe and Cr share the same crystal structure (bcc) with only 0.5% difference between their lattice constants.« less

Heavy metal pollution and spatial distribution in surface sediments of Mustafakemalpaşa stream located in the world's largest borate basin (Turkey).

PubMed

Omwene, Philip Isaac; Öncel, Mehmet Salim; Çelen, Meltem; Kobya, Mehmet

2018-06-07

Mining activities in addition to the geology of Mustafakemalpaşa catchment have for long been linked to its deteriorating water and sediment quality. This study assessed contamination levels of heavy metals and other major elements (Pb, As, B, Cd, Zn, Cr, Mo, Co, Ni, Cu, and Ag) in surface sediments of the area, and identified possible pollution sources. Sediment quality indicators, such as contamination factor (CF), enrichment factor (EF), geo-accumulation index (I geo ) and sediment quality guidelines were used, in addition to multivariate statistical technics; Pearson Correlation Matrix (PCM), Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA). The highest contamination (annual average > 110 mg kg -1 ) was revealed by B, Cr, Ni, Zn and As. Moreover, As, Cd and Ni levels exceeded their respective probable effect concentrations (PEC), posing a potential negative impact to biota. The highest I geo values were recorded for Cr, B, Ni, As and Zn, and occurred near urban settlements and mining sites, particularly of coal and chromium. The present study also suggests use of site rank index (SRI) as an alternative to pollution load index (PLI), since the former is derived from the data of interest and eliminates arbitrary classifications. The sources of heavy metals in the sediments were attributed to fly ashes of coal-powered plants, urban waste leachate and weathering of sulfide ore minerals for Pb, Zn and Cu; urban-industrial wastes and mining wastes for Ni. Although Cr, As, Cd and B were ascribed to natural occurrence, their presences in river sediment is accelerated by mining. Copyright © 2018 Elsevier Ltd. All rights reserved.

CHEMICAL ABUNDANCES IN A SAMPLE OF RED GIANTS IN THE OPEN CLUSTER NGC 2420 FROM APOGEE

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

Souto, Diogo; Cunha, K.; Smith, V.

NGC 2420 is a ∼2 Gyr old well-populated open cluster that lies about 2 kpc beyond the solar circle, in the general direction of the Galactic anti-center. Most previous abundance studies have found this cluster to be mildly metal-poor, but with a large scatter in the obtained metallicities. Detailed chemical abundance distributions are derived for 12 red-giant members of NGC 2420 via a manual abundance analysis of high-resolution ( R = 22,500) near-infrared ( λ 1.5–1.7 μ m) spectra obtained from the Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. The sample analyzed contains six stars that are identified asmore » members of the first-ascent red giant branch (RGB), as well as six members of the red clump (RC). We find small scatter in the star-to-star abundances in NGC 2420, with a mean cluster abundance of [Fe/H] = −0.16 ± 0.04 for the 12 red giants. The internal abundance dispersion for all elements (C, N, O, Na, Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Co and Ni) is also very small (∼0.03–0.06 dex), indicating a uniform cluster abundance distribution within the uncertainties. NGC 2420 is one of the clusters used to calibrate the APOGEE Stellar Parameter and Chemical Abundance Pipeline (ASPCAP). The results from this manual analysis compare well with ASPCAP abundances for most of the elements studied, although for Na, Al, and V there are more significant offsets. No evidence of extra-mixing at the RGB luminosity bump is found in the {sup 12}C and {sup 14}N abundances from the pre-luminosity-bump RGB stars in comparison to the post-He core-flash RC stars.« less

Manganese-Chromium-Cyanide Clusters: Molecular MnCr 6(CN) 18 and Mn 3Cr 6(CN) 18 Species and a Related MnCr 3(CN) 9 Chain Compound

NASA Astrophysics Data System (ADS)

Heinrich, Julie L.; Sokol, Jennifer J.; Hee, Allan G.; Long, Jeffrey R.

2001-07-01

As part of an ongoing effort to design new single-molecule magnets, we are exploring synthetic routes to high-nuclearity metal-cyanide clusters. Here, we report the results of solution assembly reactions between [(Me3tacn)Cr(CN)3] (Me3tacn= N,N‧,N″-trimethyl-1,4,7-triazacyclononane) and selected manganese(II) salts. Reaction with the perchlorate salt in the presence of AClO4 (A=Na, K) gives A[(Me3tacn)6MnCr6(CN)18] (ClO4)3, featuring a heptanuclear cluster in which six [(Me3tacn)Cr(CN)3] units surround a central MnII ion. The Mn coordination geometry closely approaches a trigonal prism, with triangular faces twisted away from a fully eclipsed position by an angle of 12.8° and 11.3° for A=Na and K, respectively. The magnetic behavior of both compounds indicates weak antiferromagnetic coupling between neighboring MnII and CrIII centers (J=-3.0 and -3.1 cm-1, respectively) to give an S={13}/{2}; ground state. Alternatively, addition of sodium tetraphenylborate to the reaction solution yields [(Me3tacn)6(H2O)6Mn3Cr6(CN)18] (BPh4)6·12H2O, in which attachment of two MnII ions to the preceding cluster generates a new species with two trigonal bipyramids sharing a common vertex. This compound displays magnetic behavior consistent with weak antiferromagnetic coupling and an S={3}/{2} ground state. Finally, a reaction employing manganese(II) triflate is found to produce the one-dimensional solid [(Me3tacn)3MnCr3(CN)9](CF3SO3)2, exhibiting a closely related chain structure, and, again, weak antiferromagnetic coupling.

The complex behavior of the Pd 7 cluster supported on TiO 2 (110) during CO oxidation: adsorbate-driven promoting effect

DOE PAGES

An, Wei; Liu, Ping

2016-09-07

When using the TiO 2(110)-supported Pd7 cluster as a model catalyst, we identified the dynamics of supported metal nanoparticles using density functional theory calculations, at the sub-nanometer scale and under reactive environments. Increasing the CO coverage can induce a structural transformation from Pd 7-3D/TiO 2(110) at low coverage to Pd 7-2D/TiO 2(110) at the saturation coverage wherein CO saturation-driven Pd7-2D/TiO 2(110) structure displays superior CO oxidation activity at the interfacial sites, which are highly active for catalyzing O 2 dissociation and CO oxidation via bifunctional synergy.

Narrow bandgap semiconducting silicides: Intrinsic infrared detectors on a silicon chip

NASA Technical Reports Server (NTRS)

Mahan, John E.

1990-01-01

Work done during the final report period is presented. The main technical objective was to achieve epitaxial growth on silicon of two semiconducting silicides, ReSi2 and CrSi2. ReSi2 thin films were grown on (001) silicon wafers by vacuum evaporation of rhenium onto hot substrates in ultrahigh vacuum. The preferred epitaxial relationship was found to be ReSi2(100)/Si(001) with ReSi2(010) parallel to Si(110). The lattice matching consists of a common unit mesh of 120 A(sup 2) area, and a mismatch of 1.8 percent. Transmission electron microscopy revealed the existence of rotation twins corresponding to two distinct but equivalent azimuthal orientations of the common unit mesh. MeV He(+) backscattering spectrometry revealed a minimum channeling yield of 2 percent for an approximately 1,500 A thick film grown at 650 C. Although the lateral dimension of the twins is on the order of 100 A, there is a very high degree of alignment between the ReSi2(100) and the Si(001) planes. Highly oriented films of CrSi2 were grown on (111) silicon substrates, with the matching crystallographic faces being CrSi2(001)/Si(111). The reflection high-energy electron diffraction (RHEED) patterns of the films consist of sharp streaks, symmetrically arranged. The predominant azimuthal orientation of the films was determined to be CrSi2(210) parallel to Si(110). This highly desirable heteroepitaxial relationship has been obtained previously by others; it may be described with a common unit mesh of 51 A(sup 2) and mismatch of 0.3 percent. RHEED also revealed the presence of limited film regions of a competing azimuthal orientation, CrSi2(110) parallel to Si(110). A channeling effect for MeV He(+) ions was not found for this material. Potential commercial applications of this research may be found in silicon-integrated infrared detector arrays. Optical characterizations showed that semiconducting ReSi2 is a strong absorber of infrared radiation, with the adsorption constant increasing above 2 x 10(exp 4) cm(sup -1) for photon energies above 0.2 eV. CrSi2 is of potential utility for detection at photon energies above approximately 0.3 eV.

Tensile and high cycle fatigue behaviors of high-Mn steels at 298 and 110 K

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

Seo, Wongyu; Jeong, Daeho; Sung, Hyokyung

Tensile and high cycle fatigue behaviors of high-Mn austenitic steels, including 25Mn, 25Mn0.2Al, 25Mn0.5Cu, 24Mn4Cr, 22Mn3Cr and 16Mn2Al specimens, were investigated at 298 and 110 K. Depending on the alloying elements, tensile ductility of high-Mn steels either increased or decreased with decreasing temperature from 298 to 110 K. Reasonable correlation between the tendency for martensitic tranformation, the critical twinning stress and the percent change in tensile elongation suggested that tensile deformation of high-Mn steels was strongly influenced by SFE determining TRIP and TWIP effects. Tensile strength was the most important parameter in determining the resistance to high cycle fatigue ofmore » high-Mn steels with an exceptional work hardening capability at room and cryogenic temperatures. The fatigue crack nucleation mechanism in high-Mn steels did not vary with decreasing tempertature, except Cr-added specimens with grain boundary cracking at 298 K and slip band cracking at 110 K. The EBSD (electron backscatter diffraction) analyses suggested that the deformation mechanism under fatigue loading was significantly different from tensile deformation which could be affected by TRIP and TWIP effects. - Highlights: •The resistances to HCF of various high-Mn steels were measured. •The variables affecting tensile and HCF behaviors of high-Mn steels were assessed. •The relationship between tensile and the HCF behaviors of high-Mn steels was established.« less

Analysis of a two-domain binding site for the urokinase-type plasminogen activator-plasminogen activator inhibitor-1 complex in low-density-lipoprotein-receptor-related protein.

PubMed

Andersen, O M; Petersen, H H; Jacobsen, C; Moestrup, S K; Etzerodt, M; Andreasen, P A; Thøgersen, H C

2001-07-01

The low-density-lipoprotein-receptor (LDLR)-related protein (LRP) is composed of several classes of domains, including complement-type repeats (CR), which occur in clusters that contain binding sites for a multitude of different ligands. Each approximately 40-residue CR domain contains three conserved disulphide linkages and an octahedral Ca(2+) cage. LRP is a scavenging receptor for ligands from extracellular fluids, e.g. alpha(2)-macroglobulin (alpha(2)M)-proteinase complexes, lipoprotein-containing particles and serine proteinase-inhibitor complexes, like the complex between urokinase-type plasminogen activator (uPA) and the plasminogen activator inhibitor-1 (PAI-1). In the present study we analysed the interaction of the uPA-PAI-1 complex with an ensemble of fragments representing a complete overlapping set of two-domain fragments accounting for the ligand-binding cluster II (CR3-CR10) of LRP. By ligand blotting, solid-state competition analysis and surface-plasmon-resonance analysis, we demonstrate binding to multiple CR domains, but show a preferential interaction between the uPA-PAI-1 complex and a two-domain fragment comprising CR domains 5 and 6 of LRP. We demonstrate that surface-exposed aspartic acid and tryptophan residues at identical positions in the two homologous domains, CR5 and CR6 (Asp(958,CR5), Asp(999,CR6), Trp(953,CR5) and Trp(994,CR6)), are critical for the binding of the complex as well as for the binding of the receptor-associated protein (RAP) - the folding chaperone/escort protein required for transport of LRP to the cell surface. Accordingly, the present work provides (1) an identification of a preferred binding site within LRP CR cluster II; (2) evidence that the uPA-PAI-1 binding site involves residues from two adjacent protein domains; and (3) direct evidence identifying specific residues as important for the binding of uPA-PAI-1 as well as for the binding of RAP.

The study of structures and properties of PdnHm(n=1-10, m=1,2) clusters by density functional theory

NASA Astrophysics Data System (ADS)

Wen, Jun-Qing; Chen, Guo-Xiang; Zhang, Jian-Min; Wu, Hua

2018-04-01

The geometrical evolution, local relative stability, magnetism and charge transfer characteristics of PdnHm(n = 1-10, m = 1,2) have been systematically calculated by using density functional theory. The studied results show that the most stable geometries of PdnH and PdnH2 (n = 1-10) can be got by doping one or two H atoms on the sides of Pdn clusters except Pd6H and Pd6H2. It is found that doping one or two H atoms on Pdn clusters cannot change the basic framework of Pdn. The analysis of stability shows that Pd2H, Pd4H, Pd7H, Pd2H2, Pd4H2 and Pd7H2 clusters have higher local relative stability than neighboring clusters. The analysis of magnetic properties demonstrates that absorption of hydrogen atoms decreases the average atomic magnetic moments compared with pure Pdn clusters. More charges transfer from H atoms to Pd atoms for Pd6H and Pd6H2 clusters, demonstrating the adsorption of hydrogen atoms change from side adsorption to surface adsorption.

Ferromagnetic spin coupling in the chromium dimer cation: Measurements by photodissociation spectroscopy combined with coupled-cluster calculations

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

Egashira, Kazuhiro, E-mail: egashira@clusterlab.jp; Yamada, Yurika; Kita, Yukiumi

2015-02-07

The magnetic coupling of the chromium dimer cation, Cr{sub 2}{sup +}, has been an outstanding problem for decades. An optical absorption spectrum of Cr{sub 2}{sup +} has been obtained by photodissociation spectroscopy in the photon-energy range from 2.0 to 5.0 eV. Besides, calculations have been performed by the equation-of-motion coupled-cluster singles and doubles method for vertical excitation of the species. Their coincidence supports our assignment that the ground electronic state exhibits a ferromagnetic spin coupling, which is contrary to those of neutral and negatively charged dimers, Cr{sub 2} and Cr{sub 2}{sup −}, in their lowest spin states.

CONSTRAINTS ON COSMIC RAYS, MAGNETIC FIELDS, AND DARK MATTER FROM GAMMA-RAY OBSERVATIONS OF THE COMA CLUSTER OF GALAXIES WITH VERITAS AND FERMI

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

Arlen, T.; Aune, T.; Bouvier, A.

2012-10-01

Observations of radio halos and relics in galaxy clusters indicate efficient electron acceleration. Protons should likewise be accelerated and, on account of weak energy losses, can accumulate, suggesting that clusters may also be sources of very high energy (VHE; E > 100 GeV) gamma-ray emission. We report here on VHE gamma-ray observations of the Coma galaxy cluster with the VERITAS array of imaging Cerenkov telescopes, with complementing Fermi Large Area Telescope observations at GeV energies. No significant gamma-ray emission from the Coma Cluster was detected. Integral flux upper limits at the 99% confidence level were measured to be on themore » order of (2-5) Multiplication-Sign 10{sup -8} photons m {sup -2} s {sup -1} (VERITAS, >220 GeV) and {approx}2 Multiplication-Sign 10{sup -6} photons m {sup -2} s {sup -1} (Fermi, 1-3 GeV), respectively. We use the gamma-ray upper limits to constrain cosmic rays (CRs) and magnetic fields in Coma. Using an analytical approach, the CR-to-thermal pressure ratio is constrained to be <16% from VERITAS data and <1.7% from Fermi data (averaged within the virial radius). These upper limits are starting to constrain the CR physics in self-consistent cosmological cluster simulations and cap the maximum CR acceleration efficiency at structure formation shocks to be <50%. Alternatively, this may argue for non-negligible CR transport processes such as CR streaming and diffusion into the outer cluster regions. Assuming that the radio-emitting electrons of the Coma halo result from hadronic CR interactions, the observations imply a lower limit on the central magnetic field in Coma of {approx}(2-5.5) {mu}G, depending on the radial magnetic field profile and on the gamma-ray spectral index. Since these values are below those inferred by Faraday rotation measurements in Coma (for most of the parameter space), this renders the hadronic model a very plausible explanation of the Coma radio halo. Finally, since galaxy clusters are dark matter (DM) dominated, the VERITAS upper limits have been used to place constraints on the thermally averaged product of the total self-annihilation cross section and the relative velocity of the DM particles, ({sigma}v).« less

Constraints on Cosmic Rays, Magnetic Fields, and Dark Matter from Gamma-ray Observations of the Coma Cluster of Galaxies with VERITAS and FERMI

NASA Technical Reports Server (NTRS)

Arlen, T.; Aune, T.; Beilicke, M.; Benbow, W.; Bouvier, A.; Buckley, J. H.; Bugaev, V.; Byrum, K.; Cannon, A.; Cesarini, A.;

Positron annihilation study of the vacancy clusters in ODS Fe-14Cr alloys

NASA Astrophysics Data System (ADS)

Domínguez-Reyes, R.; Auger, M. A.; Monge, M. A.; Pareja, R.

2017-04-01

Oxide dispersion strengthened Fe14Cr and Fe14CrWTi alloys produced by mechanical alloying and hot isostatic pressing were subjected to isochronal annealing up to 1400 °C, and the evolution and thermal stability of the vacancy-type defects were investigated by positron annihilation spectroscopy (PAS). The results were compared to those from a non-oxide dispersion strengthened Fe14Cr alloy produced by following the same powder metallurgy route. The long lifetime component of the PAS revealed the existence of tridimensional vacancy clusters, or nanovoids, in all these alloys. Two recovery stages are found in the oxide dispersion strengthened alloys irrespective of the starting conditions of the samples. The first one starting at T > 750 °C is attributed to thermal shrinkage of large vacancy clusters, or voids. A strong increase in the intensity of the long lifetime after annealing at temperatures in the 800-1050 °C range indicates the development of new vacancy clusters. These defects appear to be unstable above 1050 °C, but some of them remain at temperatures as high as 1400 °C, at least for 90 min.

Confinement and diffusion time-scales of CR hadrons in AGN-inflated bubbles

NASA Astrophysics Data System (ADS)

Prokhorov, D. A.; Churazov, E. M.

2017-09-01

While rich clusters are powerful sources of X-rays, γ-ray emission from these large cosmic structures has not been detected yet. X-ray radiative energy losses in the central regions of relaxed galaxy clusters are so strong that one needs to consider special sources of energy, likely active galactic nucleus (AGN) feedback, to suppress catastrophic cooling of the gas. We consider a model of AGN feedback that postulates that the AGN supplies the energy to the gas by inflating bubbles of relativistic plasma, whose energy content is dominated by cosmic-ray (CR) hadrons. If most of these hadrons can quickly escape the bubbles, then collisions of CRs with thermal protons in the intracluster medium (ICM) should lead to strong γ-ray emission, unless fast diffusion of CRs removes them from the cluster. Therefore, the lack of detections with modern γ-ray telescopes sets limits on the confinement time of CR hadrons in bubbles and CR diffusive propagation in the ICM.

Hydrogen Environment Assisted Cracking of Modern Ultra-High Strength Martensitic Steels

NASA Astrophysics Data System (ADS)

Pioszak, Greger L.; Gangloff, Richard P.

2017-09-01

Martensitic steels (Aermet®100, Ferrium®M54™, Ferrium®S53®, and experimental CrNiMoWV at ultra-high yield strength of 1550 to 1725 MPa) similarly resist hydrogen environment assisted cracking (HEAC) in aqueous NaCl. Cracking is transgranular, ascribed to increased steel purity and rare earth addition compared to intergranular HEAC in highly susceptible 300M. Nano-scale precipitates ((Mo,Cr)2C and (W,V)C) reduce H diffusivity and the K-independent Stage II growth rate by 2 to 3 orders of magnitude compared to 300M. However, threshold K TH is similarly low (8 to 15 MPa√m) for each steel at highly cathodic and open circuit potentials. Transgranular HEAC likely occurs along martensite packet and {110}α'-block interfaces, speculatively governed by localized plasticity and H decohesion. Martensitic transformation produces coincident site lattice interfaces; however, a connected random boundary network persists in 3D to negate interface engineering. The modern steels are near-immune to HEAC when mildly cathodically polarized, attributed to minimal crack tip H production and uptake. Neither reduced Co and Ni in M54 and CrNiMoWV nor increased Cr in S53 broadly degrade HEAC resistance compared to baseline AM100. The latter suggests that crack passivity dominates acidification to widen the polarization window for HEAC resistance. Decohesion models predict the applied potential dependencies of K TH and d a/d t II with a single-adjustable parameter, affirming the importance of steel purity and trap sensitive H diffusivity.

Structure and Stability of GeAu{sub n}, n = 1-10 clusters: A Density Functional Study

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

Priyanka,; Dharamvir, Keya; Sharma, Hitesh

2011-12-12

The structures of Germanium doped gold clusters GeAu{sub n} (n = 1-10) have been investigated using ab initio calculations based on density functional theory (DFT). We have obtained ground state geometries of GeAu{sub n} clusters and have it compared with Silicon doped gold clusters and pure gold clusters. The ground state geometries of the GeAu{sub n} clusters show patterns similar to silicon doped gold clusters except for n = 5, 6 and 9. The introduction of germanium atom increases the binding energy of gold clusters. The binding energy per atom of germanium doped cluster is smaller than the corresponding siliconmore » doped gold cluster. The HUMO-LOMO gap for Au{sub n}Ge clusters have been found to vary between 0.46 eV-2.09 eV. The mullikan charge analysis indicates that charge of order of 0.1e always transfers from germanium atom to gold atom.« less

The epidemiology of closed reduction for simple elbow dislocations and the incidence of early subsequent open reduction.

PubMed

Mayne, Ian P; Wasserstein, David; Modi, Chetan S; Henry, Patrick D G; Mahomed, Nizar; Veillette, Christian

2015-01-01

Simple elbow dislocations are often treated with closed reduction (CR); however, the rate of CR failure and factors that may predict failure have been largely underinvestigated. The objectives of this study were (1) to determine the incidence of elbow dislocations treated by CR in a universal health care system and (2) to identify patient characteristics associated with failed CR, defined as the subsequent need for open reduction. Patients ≥16 years old who underwent elbow CR by a physician between 1994 and 2010 were identified from administrative databases. Concurrent elbow fractures were excluded. The incidence density rate (IDR) of CR per 100,000 eligible person-years among the general population was calculated. Failed CR was defined as subsequent open reduction with or without ligament repair or reconstruction within 90 days. Patient and provider characteristics were modeled in a multivariate logistic regression for failure. The cohort consisted of 4878 patients (median age, 41 years) who underwent CR (IDR, 2.65 per 100,000 person-years), and 75 (1.5%) underwent subsequent open reduction with or without ligament repair or reconstruction (median time, 15 days). Young men (≤20 years) had the highest IDR (7.45 per 100,000 person-years), twice that of young women (P = .005). Patient characteristics associated with failed CR included older age (P = .001), admission to the hospital (P < .0001), >1 attempted CR (P = .001), and new orthopedic consultation in the 4 weeks after the CR (P = .02). Young men are at highest risk for CR for simple elbow dislocations; however, older patients are more likely to require open intervention, as are those with markers of a difficult reduction signifying potentially greater soft tissue damage. A comprehensive understanding of the epidemiology of simple elbow dislocation will aid management decisions. Copyright © 2015 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

Clinical marginal and internal fit of metal ceramic crowns fabricated with a selective laser melting technology.

PubMed

Huang, Zhuoli; Zhang, Lu; Zhu, Jingwei; Zhang, Xiuyin

2015-06-01

Selective laser melting (SLM) technology has been introduced to fabricate dental restorations. However, the fit of these restorations still needs further study. The purpose of this in vivo investigation was to compare the marginal and internal fit of SLM metal ceramic crowns with 2 lost-wax cast metal ceramic crowns and to evaluate the influence of tooth type on the marginal and internal fit of these crowns. A total of 330 metal ceramic crowns were evaluated. The metal copings were fabricated with SLM Co-Cr, cast Au-Pt, and cast Co-Cr alloy (n=110). The marginal and internal gaps of crowns were recorded by using a replica technique. The anterior and premolar replicas were sectioned 2 times, and molar replicas were sectioned 4 times. The marginal and internal gap width of each cross section was examined by stereomicroscope at ×30 magnification. Two-way analysis of variance was performed to identify the statistical difference among the groups. The marginal fit of the SLM Co-Cr group (75.6 ±32.6 μm) was not different from the cast Au-Pt group (76.8 ±32.1 μm) (P>.05) but was better than the cast Co-Cr group (91.0 ±36.3 μm) (P<.01). No significant difference was found among the SLM Co-Cr group (127.3 ±45.8 μm), cast Au-Pt group (129.9 ±61.1 μm). and cast Co-Cr group (142.5 ±63.7 μm) (P>.05). The mean occlusal gap width of the SLM Co-Cr group (309.8 ±106.6 μm) was significantly higher than that of the cast Au-Pt group (254.6 ±109.6 μm) and the cast Co-Cr group (249.6 ±110.4 μm) (P<.005). No significant difference was found in the marginal fit among the anterior group (84.4 ±35.1 μm), the premolar group (80.6 ±26.3 μm), and the molar group (82.7 ±38.0 μm) (P>.05). Also, no significant difference was found in the axial fit among the anterior group (138.3 ±52.5 μm), the premolar group (132.9 ±50.4 μm), and the molar group (134.4 ±52.5 μm) (P>.05). The anterior group (267.6 ±110.2 μm) did not differ from the premolar group (270.2 ±112.8 μm) and the molar group (268.6 ±110.5 μm) in occlusal fit (P>.05). The marginal fit of SLM Co-Cr metal ceramic crowns was similar to that of the cast Au-Pt metal ceramic crowns and was better than that of the cast Co-Cr metal ceramic crowns. The SLM Co-Cr metal ceramic crowns were not significantly different from the 2 cast metal ceramic crowns in axial fit but were less accurate in occlusal fit. Tooth type did not influence the marginal and internal fit of the metal ceramic crowns. Copyright © 2015 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

VizieR Online Data Catalog: Photometric analysis of contact binaries (Lapasset+ 1996)

NASA Astrophysics Data System (ADS)

Lapasset, E.; Gomez, M.; Farinas, R.

1996-09-01

We present BV light-curve synthetic analyses of three short-period contact (W UMa) binaries: HY Pavonis (P=~0.35days), AW Virginis (P=~0.35days), and BP Velorum (P=~0.26days). Different possible configurations for wide range of the mass ratio were explored in each case making use of the Wilson-Devinney code. The photometric parameters of the systems were determined from the synthetic light-curve solutions that best fit the observations. AW Vir has two components of very similar temperatures and therefore the subtype (A or W) remains undetermined. HY Pav and BP Vel are best modeled by W-type configurations and the asymmetries in the light curves are reproduced by introducing cool spots on the more massive secondary components. Although BP Vel lies in the region of the open cluster Cr 173, its distance modulus, in principle, rules it out as a cluster member. (6 data files).

Desynchronization boost by non-uniform coordinated reset stimulation in ensembles of pulse-coupled neurons

PubMed Central

Lücken, Leonhard; Yanchuk, Serhiy; Popovych, Oleksandr V.; Tass, Peter A.

2013-01-01

Several brain diseases are characterized by abnormal neuronal synchronization. Desynchronization of abnormal neural synchrony is theoretically compelling because of the complex dynamical mechanisms involved. We here present a novel type of coordinated reset (CR) stimulation. CR means to deliver phase resetting stimuli at different neuronal sub-populations sequentially, i.e., at times equidistantly distributed in a stimulation cycle. This uniform timing pattern seems to be intuitive and actually applies to the neural network models used for the study of CR so far. CR resets the population to an unstable cluster state from where it passes through a desynchronized transient, eventually resynchronizing if left unperturbed. In contrast, we show that the optimal stimulation times are non-uniform. Using the model of weakly pulse-coupled neurons with phase response curves, we provide an approach that enables to determine optimal stimulation timing patterns that substantially maximize the desynchronized transient time following the application of CR stimulation. This approach includes an optimization search for clusters in a low-dimensional pulse coupled map. As a consequence, model-specific non-uniformly spaced cluster states cause considerably longer desynchronization transients. Intriguingly, such a desynchronization boost with non-uniform CR stimulation can already be achieved by only slight modifications of the uniform CR timing pattern. Our results suggest that the non-uniformness of the stimulation times can be a medically valuable parameter in the calibration procedure for CR stimulation, where the latter has successfully been used in clinical and pre-clinical studies for the treatment of Parkinson's disease and tinnitus. PMID:23750134

Deciphering the Possible Role of Strain Path on the Evolution of Microstructure, Texture, and Magnetic Properties in a Fe-Cr-Ni Alloy

NASA Astrophysics Data System (ADS)

Kumar, Amit; Khatirkar, Rajesh Kisni; Gupta, Aman; Shekhawat, Satish K.; Suwas, Satyam

2018-06-01

In the present work, the influence of strain path on the evolution of microstructure, crystallographic texture, and magnetic properties of a two-phase Fe-Cr-Ni alloy was investigated. The Fe-Cr-Ni alloy had nearly equal proportion of austenite and ferrite and was cold rolled up to a true strain of 1.6 (thickness reduction) using two different strain paths—unidirectional rolling and multi-step cross rolling. The microstructures were characterized by scanning electron microscopy (SEM) and electron backscattered diffraction (EBSD), while crystallographic textures were determined using X-ray diffraction. For magnetic characterization, B-H loops and M-H curves were measured and magnetic force microscopy was performed. After unidirectional rolling, ferrite showed the presence of strong α-fiber (rolling direction, RD//<110>) and austenite showed strong brass type texture (consisting of Brass (Bs) ({110}<112>), Goss ({110}<001>), and S ({123}<634>)). After multi-step cross rolling, strong rotated cube ({100}<110>) was developed in ferrite, while austenite showed ND (normal direction) rotated brass ( 10 deg) texture. The strain-induced martensite (SIM) was found to be higher in unidirectionally rolled samples than multi-step cross-rolled samples. The coherently diffracting domain size, micro-strain, coercivity, and core loss also showed a strong correlation with strain and strain path. More strain was partitioned into austenite than ferrite during deformation (unidirectional as well as cross rolling). Further, the strain partitioning (in both austenite and ferrite) was found to be higher in unidirectionally rolled samples.

Tuning the onset of ferromagnetism in heterogeneous bimetallic nanoparticles by gas phase doping

NASA Astrophysics Data System (ADS)

Bohra, Murtaza; Grammatikopoulos, Panagiotis; Singh, Vidyadhar; Zhao, Junlei; Toulkeridou, Evropi; Steinhauer, Stephan; Kioseoglou, Joseph; Bobo, Jean-François; Nordlund, Kai; Djurabekova, Flyura; Sowwan, Mukhles

2017-11-01

In the nanoregime, chemical species can reorganize in ways not predicted by their equilibrium bulk behavior. Here, we engineer Ni-Cr nanoalloys at the magnetic end of their compositional range (i.e., 0-15 at. % Cr), and we investigate the effect of Cr incorporation on their structural stability and resultant magnetic ordering. To ensure their stoichiometric compositions, the nanoalloys are grown by cluster beam deposition, a method that allows one-step, chemical-free fabrication of bimetallic nanoparticles. While full Cr segregation toward nanoparticle surfaces is thermodynamically expected for low Cr concentrations, metastability occurs as the Cr dopant level increases in the form of residual Cr in the core region, yielding desirable magnetic properties in a compensatory manner. Using nudged elastic band calculations, residual Cr in the core is explained based on modifications in the local environment of individual Cr atoms. The resultant competition between ferromagnetic and antiferromagnetic ordering gives rise to a wide assortment of interesting phenomena, such as a cluster-glass ground state at very low temperatures and an increase in Curie temperature values. We emphasize the importance of obtaining the commonly elusive magnetic nanophase diagram for M -Cr (M =Fe , Co, and Ni) nanoalloys, and we propose an efficient single-parameter method of tuning the Curie temperature for various technological applications.

A Complex of Cas Proteins 5, 6, and 7 Is Required for the Biogenesis and Stability of Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR)-derived RNAs (crRNAs) in Haloferax volcanii*

PubMed Central

Brendel, Jutta; Stoll, Britta; Lange, Sita J.; Sharma, Kundan; Lenz, Christof; Stachler, Aris-Edda; Maier, Lisa-Katharina; Richter, Hagen; Nickel, Lisa; Schmitz, Ruth A.; Randau, Lennart; Allers, Thorsten; Urlaub, Henning; Backofen, Rolf; Marchfelder, Anita

2014-01-01

The clustered regularly interspaced short palindromic repeats/CRISPR-associated (CRISPR-Cas) system is a prokaryotic defense mechanism against foreign genetic elements. A plethora of CRISPR-Cas versions exist, with more than 40 different Cas protein families and several different molecular approaches to fight the invading DNA. One of the key players in the system is the CRISPR-derived RNA (crRNA), which directs the invader-degrading Cas protein complex to the invader. The CRISPR-Cas types I and III use the Cas6 protein to generate mature crRNAs. Here, we show that the Cas6 protein is necessary for crRNA production but that additional Cas proteins that form a CRISPR-associated complex for antiviral defense (Cascade)-like complex are needed for crRNA stability in the CRISPR-Cas type I-B system in Haloferax volcanii in vivo. Deletion of the cas6 gene results in the loss of mature crRNAs and interference. However, cells that have the complete cas gene cluster (cas1–8b) removed and are transformed with the cas6 gene are not able to produce and stably maintain mature crRNAs. crRNA production and stability is rescued only if cas5, -6, and -7 are present. Mutational analysis of the cas6 gene reveals three amino acids (His-41, Gly-256, and Gly-258) that are essential for pre-crRNA cleavage, whereas the mutation of two amino acids (Ser-115 and Ser-224) leads to an increase of crRNA amounts. This is the first systematic in vivo analysis of Cas6 protein variants. In addition, we show that the H. volcanii I-B system contains a Cascade-like complex with a Cas7, Cas5, and Cas6 core that protects the crRNA. PMID:24459147

The Evolution of Stellar Dynamos; Survey for Low Mass Members of NGC2232; An X-Ray Survey of the Open Cluster CR140; Towards a Better Understanding of the Rotation-Activity Relation for Solar-Type Members of the Pleiades

NASA Technical Reports Server (NTRS)

Stauffer, John R.; Petre, Robert (Technical Monitor)

2000-01-01

This grant was originally awarded to Dr. Charles Prosser, who died tragically in a car accident in Tucson in 1998. We had hoped to finish the work Charles had started, which involved analysis of ROSAT data for three programs (observations of the clusters NGC2232, Crl4O and the Pleiades) and also analysis of optical data for each cluster in order to allow interpretation of the ROSAT observations. The Pleiades portion of the program was completed during the past year, and a paper published. We have obtained optical imaging of the other two clusters, and those data are being analyzed. Dr. Brian Patten intends to complete analysis of the ROSAT observations and to combine those data with the optical photometry, but progress on those efforts has been slow due to the press of other work (Dr. Patten is responsible for the pipeline processing of data from SWAS). We intend to publish those results as soon as we can, but it will now be completed without further support from this grant.

The effects of graded levels of calorie restriction: VII. Topological rearrangement of hypothalamic aging networks.

PubMed

Derous, Davina; Mitchell, Sharon E; Green, Cara L; Wang, Yingchun; Han, Jing Dong J; Chen, Luonan; Promislow, Daniel E L; Lusseau, David; Speakman, John R; Douglas, Alex

2016-05-01

Connectivity in a gene-gene network declines with age, typically within gene clusters. We explored the effect of short-term (3 months) graded calorie restriction (CR) (up to 40 %) on network structure of aging-associated genes in the murine hypothalamus by using conditional mutual information. The networks showed a topological rearrangement when exposed to graded CR with a higher relative within cluster connectivity at 40CR. We observed changes in gene centrality concordant with changes in CR level, with Ppargc1a, and Ppt1 having increased centrality and Etfdh, Traf3 and Abcc1 decreased centrality as CR increased. This change in gene centrality in a graded manner with CR, occurred in the absence of parallel changes in gene expression levels. This study emphasizes the importance of augmenting traditional differential gene expression analyses to better understand structural changes in the transcriptome. Overall our results suggested that CR induced changes in centrality of biological relevant genes that play an important role in preventing the age-associated loss of network integrity irrespective of their gene expression levels.

The effects of graded levels of calorie restriction: VII. Topological rearrangement of hypothalamic aging networks

PubMed Central

Derous, Davina; Mitchell, Sharon E.; Green, Cara L.; Wang, Yingchun; Han, Jing Dong J.; Chen, Luonan; Promislow, Daniel E.L.; Lusseau, David; Speakman, John R.; Douglas, Alex

2016-01-01

Connectivity in a gene-gene network declines with age, typically within gene clusters. We explored the effect of short-term (3 months) graded calorie restriction (CR) (up to 40 %) on network structure of aging-associated genes in the murine hypothalamus by using conditional mutual information. The networks showed a topological rearrangement when exposed to graded CR with a higher relative within cluster connectivity at 40CR. We observed changes in gene centrality concordant with changes in CR level, with Ppargc1a, and Ppt1 having increased centrality and Etfdh, Traf3 and Abcc1 decreased centrality as CR increased. This change in gene centrality in a graded manner with CR, occurred in the absence of parallel changes in gene expression levels. This study emphasizes the importance of augmenting traditional differential gene expression analyses to better understand structural changes in the transcriptome. Overall our results suggested that CR induced changes in centrality of biological relevant genes that play an important role in preventing the age-associated loss of network integrity irrespective of their gene expression levels. PMID:27115072

Identifying contextual influences of community reintegration among injured servicemembers.

PubMed

Hawkins, Brent L; McGuire, Francis A; Britt, Thomas W; Linder, Sandra M

2015-01-01

Research suggests that community reintegration (CR) after injury and rehabilitation is difficult for many injured servicemembers. However, little is known about the influence of the contextual factors, both personal and environmental, that influence CR. Framed within the International Classification of Functioning, Disability and Health and Social Cognitive Theory, the quantitative portion of a larger mixed-methods study of 51 injured, community-dwelling servicemembers compared the relative contribution of contextual factors between groups of servicemembers with different levels of CR. Cluster analysis indicated three groups of servicemembers showing low, moderate, and high levels of CR. Statistical analyses identified contextual factors (e.g., personal and environmental factors) that significantly discriminated between CR clusters. Multivariate analysis of variance and discriminant analysis indicated significant contributions of general self-efficacy, services and assistance barriers, physical and structural barriers, attitudes and support barriers, perceived level of disability and/or handicap, work and school barriers, and policy barriers on CR scores. Overall, analyses indicated that injured servicemembers with lower CR scores had lower general self-efficacy scores, reported more difficulty with environmental barriers, and reported their injuries as more disabling.

The regulatory network of cluster-root function and development in phosphate-deficient white lupin (Lupinus albus) identified by transcriptome sequencing.

PubMed

Wang, Zhengrui; Straub, Daniel; Yang, Huaiyu; Kania, Angelika; Shen, Jianbo; Ludewig, Uwe; Neumann, Günter

2014-07-01

Lupinus albus serves as model plant for root-induced mobilization of sparingly soluble soil phosphates via the formation of cluster-roots (CRs) that mediate secretion of protons, citrate, phenolics and acid phosphatases (APases). This study employed next-generation sequencing to investigate the molecular mechanisms behind these complex adaptive responses at the transcriptome level. We compared different stages of CR development, including pre-emergent (PE), juvenile (JU) and the mature (MA) stages. The results confirmed that the primary metabolism underwent significant modifications during CR maturation, promoting the biosynthesis of organic acids, as had been deduced from physiological studies. Citrate catabolism was downregulated, associated with citrate accumulation in MA clusters. Upregulation of the phenylpropanoid pathway reflected the accumulation of phenolics. Specific transcript expression of ALMT and MATE transporter genes correlated with the exudation of citrate and flavonoids. The expression of transcripts related to nucleotide degradation and APases in MA clusters coincided with the re-mobilization and hydrolysis of organic phosphate resources. Most interestingly, hormone-related gene expression suggested a central role of ethylene during CR maturation. This was associated with the upregulation of the iron (Fe)-deficiency regulated network that mediates ethylene-induced expression of Fe-deficiency responses in other species. Finally, transcripts related to abscisic acid and jasmonic acid were upregulated in MA clusters, while auxin- and brassinosteroid-related genes and cytokinin receptors were most strongly expressed during CR initiation. Key regulations proposed by the RNA-seq data were confirmed by quantitative real-time polymerase chain reaction (RT-qPCR) and some physiological analyses. A model for the gene network regulating CR development and function is presented. © 2014 Scandinavian Plant Physiology Society.

Electrical resistivity of V-Cr-Ti alloys

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

Zinkle, S.J.; Gubbi, A.N.; Eatherly, W.S.

1997-04-01

Room temperature electrical resistivity measurements have been performed on vanadium alloys containing 3-6%Cr and 3-6%Ti in order to evaluate the microstructural stability of these alloys. A nonlinear dependence on Cr and Ti concentration was observed, which suggests that either short range ordering or solute precipitation (perhaps in concert with interstitial solute clustering) has occurred in V-6Cr-6Ti.

Supramolecular clusters and chains of 2,6-dimethylpyridine on Cu(110): Observation of dynamic configuration change with real-space surface science techniques and DFT calculations

DOE PAGES

Lee, Junseok; Sorescu, Dan C.; Lee, Jae -Gook; ...

2016-02-02

Here, the adsorption of 2,6-dimethylpyridine (2,6-DMP) on Cu(110) has been studied using low temperature scanning tunneling microscopy (LT-STM), time-of-flight electron stimulated desorption ion angular distribution (TOF-ESDIAD), and density functional theory (DFT) calculations. At low temperatures (T < ~ 150 K), the 2,6-DMP adsorbs in a flat configuration on Cu(110) producing clusters and extended domains via weak hydrogen bonding (C—H···N) with the molecular symmetry axis aligned along the < 001 > surface direction.

Packing of Russian doll clusters to form a nanometer-scale CsCl-type compound in a Cr–Zn–Sn complex metallic alloy

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

Xie, Weiwei; Cava, Robert J.; Miller, Gordon J.

A new cubic complex metallic alloy phase, Cr 22Zn 72Sn 24, with a lattice parameter near 2.5 nm was discovered in crystals grown using a Zn/Sn flux. The structure consists of Russian doll clusters or a 3-d network of Cr-centered icosahedra (shown) with bcc-metal fragments in void spaces.

Packing of Russian doll clusters to form a nanometer-scale CsCl-type compound in a Cr–Zn–Sn complex metallic alloy

DOE PAGES

Xie, Weiwei; Cava, Robert J.; Miller, Gordon J.

2017-07-03

A new cubic complex metallic alloy phase, Cr 22Zn 72Sn 24, with a lattice parameter near 2.5 nm was discovered in crystals grown using a Zn/Sn flux. The structure consists of Russian doll clusters or a 3-d network of Cr-centered icosahedra (shown) with bcc-metal fragments in void spaces.

Dealing with chemical reaction pathways and electronic excitations in molecular systems via renormalized and active-space coupled-cluster methods

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

Piecuch, Piotr; Li, Wei; Lutz, Jesse J.

Coupled-cluster (CC) theory has become the de facto standard for high-accuracy molecular calculations, but the widely used CC and equation-of-motion (EOM) CC approaches, such as CCSD(T) and EOMCCSD, have difficulties with capturing stronger electron correlations that characterize multi-reference molecular problems. This presentation demonstrates that many of these difficulties can be addressed by exploiting the completely renormalized (CR) CC and EOMCC approaches, such as CR-CC(2,3), CR-EOMCCSD(T), and CR-EOMCC(2,3), and their local correlation counterparts applicable to systems with hundreds of atoms, and the active-space CC/EOMCC approaches, such as CCSDt and EOMCCSDt, and their extensions to valence systems via the electron-attached and ionizedmore » formalisms.« less

A complex of Cas proteins 5, 6, and 7 is required for the biogenesis and stability of clustered regularly interspaced short palindromic repeats (crispr)-derived rnas (crrnas) in Haloferax volcanii.

PubMed

Brendel, Jutta; Stoll, Britta; Lange, Sita J; Sharma, Kundan; Lenz, Christof; Stachler, Aris-Edda; Maier, Lisa-Katharina; Richter, Hagen; Nickel, Lisa; Schmitz, Ruth A; Randau, Lennart; Allers, Thorsten; Urlaub, Henning; Backofen, Rolf; Marchfelder, Anita

2014-03-07

The clustered regularly interspaced short palindromic repeats/CRISPR-associated (CRISPR-Cas) system is a prokaryotic defense mechanism against foreign genetic elements. A plethora of CRISPR-Cas versions exist, with more than 40 different Cas protein families and several different molecular approaches to fight the invading DNA. One of the key players in the system is the CRISPR-derived RNA (crRNA), which directs the invader-degrading Cas protein complex to the invader. The CRISPR-Cas types I and III use the Cas6 protein to generate mature crRNAs. Here, we show that the Cas6 protein is necessary for crRNA production but that additional Cas proteins that form a CRISPR-associated complex for antiviral defense (Cascade)-like complex are needed for crRNA stability in the CRISPR-Cas type I-B system in Haloferax volcanii in vivo. Deletion of the cas6 gene results in the loss of mature crRNAs and interference. However, cells that have the complete cas gene cluster (cas1-8b) removed and are transformed with the cas6 gene are not able to produce and stably maintain mature crRNAs. crRNA production and stability is rescued only if cas5, -6, and -7 are present. Mutational analysis of the cas6 gene reveals three amino acids (His-41, Gly-256, and Gly-258) that are essential for pre-crRNA cleavage, whereas the mutation of two amino acids (Ser-115 and Ser-224) leads to an increase of crRNA amounts. This is the first systematic in vivo analysis of Cas6 protein variants. In addition, we show that the H. volcanii I-B system contains a Cascade-like complex with a Cas7, Cas5, and Cas6 core that protects the crRNA.

Aquaporin family genes exhibit developmentally-regulated and host-dependent transcription patterns in the sea louse Caligus rogercresseyi.

PubMed

Farlora, Rodolfo; Valenzuela-Muñoz, Valentina; Chávez-Mardones, Jacqueline; Gallardo-Escárate, Cristian

2016-07-01

Aquaporins are small integral membrane proteins that function as pore channels for the transport of water and other small solutes across the cell membrane. Considering the important roles of these proteins in several biological processes, including host-parasite interactions, there has been increased research on aquaporin proteins recently. The present study expands on the knowledge of aquaporin family genes in parasitic copepods, examining diversity and expression during the ontogeny of the sea louse Caligus rogercresseyi. Furthermore, aquaporin expression was evaluated during the early infestation of Atlantic (Salmo salar) and Coho salmon (Oncorhynchus kisutch). Deep transcriptome sequencing data revealed eight full length and two partial open reading frames belonging to the aquaporin protein family. Clustering analyses with identified Caligidae sequences revealed three major clades of aquaglyceroporins (Cr-Glp), classical aquaporin channels (Cr-Bib and Cr-PripL), and unorthodox aquaporins (Cr-Aqp12-like). In silico analysis revealed differential expression of aquaporin genes between developmental stages and between sexes. Male-biased expression of Cr-Glp1_v1 and female-biased expression of Cr-Bib were further confirmed in adults by RT-qPCR. Additionally, gene expressions were measured for seven aquaporins during the early infestation stage. The majority of aquaporin genes showed significant differential transcription expressions between sea lice parasitizing different hosts, with Atlantic salmon sea lice exhibiting overall reduced expression as compared to Coho salmon. The observed differences in the regulation of aquaporin genes may reveal osmoregulatory adaptations associated with nutrient ingestion and metabolite waste export, exposing complex host-parasite relationships in C. rogercresseyi. Copyright © 2016 Elsevier B.V. All rights reserved.

The MalR type regulator AcrC is a transcriptional repressor of acarbose biosynthetic genes in Actinoplanes sp. SE50/110.

PubMed

Wolf, Timo; Droste, Julian; Gren, Tetiana; Ortseifen, Vera; Schneiker-Bekel, Susanne; Zemke, Till; Pühler, Alfred; Kalinowski, Jörn

2017-07-25

Acarbose is used in the treatment of diabetes mellitus type II and is produced by Actinoplanes sp. SE50/110. Although the biosynthesis of acarbose has been intensively studied, profound knowledge about transcription factors involved in acarbose biosynthesis and their binding sites has been missing until now. In contrast to acarbose biosynthetic gene clusters in Streptomyces spp., the corresponding gene cluster of Actinoplanes sp. SE50/110 lacks genes for transcriptional regulators. The acarbose regulator C (AcrC) was identified through an in silico approach by aligning the LacI family regulators of acarbose biosynthetic gene clusters in Streptomyces spp. with the Actinoplanes sp. SE50/110 genome. The gene for acrC, located in a head-to-head arrangement with the maltose/maltodextrin ABC transporter malEFG operon, was deleted by introducing PCR targeting for Actinoplanes sp. SE50/110. Characterization was carried out through cultivation experiments, genome-wide microarray hybridizations, and RT-qPCR as well as electrophoretic mobility shift assays for the elucidation of binding motifs. The results show that AcrC binds to the intergenic region between acbE and acbD in Actinoplanes sp. SE50/110 and acts as a transcriptional repressor on these genes. The transcriptomic profile of the wild type was reconstituted through a complementation of the deleted acrC gene. Additionally, regulatory sequence motifs for the binding of AcrC were identified in the intergenic region of acbE and acbD. It was shown that AcrC expression influences acarbose formation in the early growth phase. Interestingly, AcrC does not regulate the malEFG operon. This study characterizes the first known transcription factor of the acarbose biosynthetic gene cluster in Actinoplanes sp. SE50/110. It therefore represents an important step for understanding the regulatory network of this organism. Based on this work, rational strain design for improving the biotechnological production of acarbose can now be implemented.

Synthesis and structure determination of new open-framework chromium carboxylate MIL-105 or Cr{sup III}(OH).{l_brace}O{sub 2}C-C{sub 6}(CH{sub 3}){sub 4}-CO{sub 2}{r_brace}.nH{sub 2}O

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

Serre, Christian; Millange, Franck; Devic, Thomas

2006-08-10

Two new three-dimensional chromium(III) dicarboxylate, MIL-105 or Cr{sup III}(OH).{l_brace}O{sub 2}C-C{sub 6}(CH{sub 3}){sub 4}-CO{sub 2}{r_brace}.nH{sub 2}O, have been obtained under hydrothermal conditions, and their structures solved using X-ray powder diffraction data. Both solids are structural analogs of the known Cr benzenedicarboxylate compound (MIL-53). Both contain trans corner-sharing CrO{sub 4}(OH){sub 2} octahedral chains connected by tetramethylterephthalate di-anions. Each chain is linked by the ligands to four other chains to form a three-dimensional framework with an array of 1D pores channels. The pores of the high temperature form of the solid, MIL-105ht, are empty. However, MIL-105ht re-hydrates at room temperature to finally givemore » MIL-105lt with pores channels filled with free water molecules (lt: low temperature form; ht: high temperature form). The thermal behaviour of the two solids has been investigated using TGA. Crystal data for MIL-105ht: monoclinic space group C2/c with a = 19.653(1) A, b = 9.984(1) A, c = 6.970(1) A, {beta} = 110.67(1){sup o} and Z = 4. Crystal data for MIL-105lt: orthorhombic space group Pnam with a = 17.892(1) A, b = 11.165(1) A, c = 6.916(1) A and Z = 4.« less

Molybdenum-oxide based unique polyprotic nanoacids showing different deprotonations and related assembly processes in solution.

PubMed

Kistler, Melissa L; Liu, Tianbo; Gouzerh, Pierre; Todea, Ana Maria; Müller, Achim

2009-07-14

We report the self-assembly processes in solution of three Keplerate-type molybdenum-oxide based clusters {Mo72V30}, {Mo72Cr30} and {Mo72Fe30} (all with diameters of approximately 2.5 nm). These clusters behave as unique weak polyprotic acids owing to the external water ligands attached to the non-Mo metal centers. Whereas the Cr and Fe clusters have 30 water ligands attached at the 30 M3+ centers pointing outside, {Mo72V30} has 20 water ligands coordinated to vanadium atoms, of which only 10 are pointing outside. The self-assembly processes of the Keplerates leading to supramolecular blackberry-type structures are influenced by the effective charge densities on the cluster surfaces, which can be tuned by the pH values and solvent properties. As expected, {Mo72Cr30} and {Mo72Fe30} behave similarly in aqueous solution due to their analogous structures and in both cases the self-assembly follows the partial deprotonation of the external water ligands attached to the non-Mo metal centers. However, the M-OH2 functionalities differ not only in acidity but also lability, i.e. in different residence times of the H2O ligands. In contrast to {Mo72Cr30} and {Mo72Fe30}, the {Mo72V30} clusters carry a rather large number of negative charges so that their solution properties are different. They exist as discrete macroions in dilute aqueous solution, and form only in mixed water/organic solvent (like acetone) blackberry-type structures whose size increases with acetone content. The comparison of the properties of the clusters allows more general information about the interesting self-assembly phenomenon to be unveiled.

Mature clustered, regularly interspaced, short palindromic repeats RNA (crRNA) length is measured by a ruler mechanism anchored at the precursor processing site.

PubMed

Hatoum-Aslan, Asma; Maniv, Inbal; Marraffini, Luciano A

2011-12-27

Precise RNA processing is fundamental to all small RNA-mediated interference pathways. In prokaryotes, clustered, regularly interspaced, short palindromic repeats (CRISPR) loci encode small CRISPR RNAs (crRNAs) that protect against invasive genetic elements by antisense targeting. CRISPR loci are transcribed as a long precursor that is cleaved within repeat sequences by CRISPR-associated (Cas) proteins. In many organisms, this primary processing generates crRNA intermediates that are subject to additional nucleolytic trimming to render mature crRNAs of specific lengths. The molecular mechanisms underlying this maturation event remain poorly understood. Here, we defined the genetic requirements for crRNA primary processing and maturation in Staphylococcus epidermidis. We show that changes in the position of the primary processing site result in extended or diminished maturation to generate mature crRNAs of constant length. These results indicate that crRNA maturation occurs by a ruler mechanism anchored at the primary processing site. We also show that maturation is mediated by specific cas genes distinct from those genes involved in primary processing, showing that this event is directed by CRISPR/Cas loci.

Data-driven cluster reinforcement and visualization in sparsely-matched self-organizing maps.

PubMed

Manukyan, Narine; Eppstein, Margaret J; Rizzo, Donna M

2012-05-01

A self-organizing map (SOM) is a self-organized projection of high-dimensional data onto a typically 2-dimensional (2-D) feature map, wherein vector similarity is implicitly translated into topological closeness in the 2-D projection. However, when there are more neurons than input patterns, it can be challenging to interpret the results, due to diffuse cluster boundaries and limitations of current methods for displaying interneuron distances. In this brief, we introduce a new cluster reinforcement (CR) phase for sparsely-matched SOMs. The CR phase amplifies within-cluster similarity in an unsupervised, data-driven manner. Discontinuities in the resulting map correspond to between-cluster distances and are stored in a boundary (B) matrix. We describe a new hierarchical visualization of cluster boundaries displayed directly on feature maps, which requires no further clustering beyond what was implicitly accomplished during self-organization in SOM training. We use a synthetic benchmark problem and previously published microbial community profile data to demonstrate the benefits of the proposed methods.

Relativistic Particle Population and Magnetic Fields in Clusters of Galaxies

NASA Astrophysics Data System (ADS)

Kushnir, Doron

2011-08-01

We derive constrains on the cosmic ray (CR) population and magnetic fields (MF) in clusters of galaxies, based on: 1. The correlation between the radio and the X-ray luminosities: the former emitted by synchrotron of secondary electrons in a strong MF, >˜3 muG; In the core, the CR energy is ˜10^{-3} of the thermal energy; The source of CR is the accretion shock (AS), which accelerate CR with efficiency >˜1%. 2. The HXR luminosity: emitted by IC of CMB photons by electrons accelerated in AS with efficiency >˜1%. The constrains imply that gamma-ray emission from secondaries will be difficult to detect with existing/planned instruments. However, the extended emission from primary electrons might be detected by future HXR (NuStar, Simbol-X) and gamma-ray observations (Fermi, HESS, VERITAS).

Pt-Zn Clusters on Stoichiometric MgO(100) and TiO2(110): Dramatically Different Sintering Behavior

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

Dadras, Mostafa J.; Shen, Lu; Alexandrova, Anastassia N.

2015-03-02

Zn was suggested to be a promising additive to Pt in the catalysis of dehydrogenation reactions. In this work, mixed Pt-Zn clusters deposited on two simple oxides, MgO(100) and TiO2(110), were investigated. The stability of these systems against cluster sintering, one of the major mechanisms of catalyst deactivation, is simulated using a Metropolis Monte Carlo scheme under the assumption of the Ostwald ripening mechanism. Particle migration, association to and dissociation from clusters, and evaporation and redeposition of monomers were all included in the simulations. Simulations are done at several high temperatures relevant to reactions of catalytic dehydrogenation. The effect ofmore » temperature is included via both the Metropolis algorithm and the Boltzmann-weighted populations of the global and thermally accessible local minima on the density functional theory potential energy surfaces of clusters of all sizes and compositions up to tetramers. On both surfaces, clusters are shown to sinter quite rapidly. However, the resultant compositions of the clusters most resistant to sintering are quite different on the two supports. On TiO2(110), Pt and Zn appear to phase separate, preferentially forming clusters rich in just one or the other metal. On MgO(100), Pt and Zn remain well-mixed and form a range of bimetallic clusters of various compositions that appear relatively stable. However, Zn is more easily lost from MgO through evaporation. These phenomena were rationalized by several means of chemical bonding analysis.« less

Cluster based architecture and network maintenance protocol for medical priority aware cognitive radio based hospital.

PubMed

Al Mamoon, Ishtiak; Muzahidul Islam, A K M; Baharun, Sabariah; Ahmed, Ashir; Komaki, Shozo

2016-08-01

Due to the rapid growth of wireless medical devices in near future, wireless healthcare services may face some inescapable issue such as medical spectrum scarcity, electromagnetic interference (EMI), bandwidth constraint, security and finally medical data communication model. To mitigate these issues, cognitive radio (CR) or opportunistic radio network enabled wireless technology is suitable for the upcoming wireless healthcare system. The up-to-date research on CR based healthcare has exposed some developments on EMI and spectrum problems. However, the investigation recommendation on system design and network model for CR enabled hospital is rare. Thus, this research designs a hierarchy based hybrid network architecture and network maintenance protocols for previously proposed CR hospital system, known as CogMed. In the previous study, the detail architecture of CogMed and its maintenance protocols were not present. The proposed architecture includes clustering concepts for cognitive base stations and non-medical devices. Two cluster head (CH selector equations are formulated based on priority of location, device, mobility rate of devices and number of accessible channels. In order to maintain the integrity of the proposed network model, node joining and node leaving protocols are also proposed. Finally, the simulation results show that the proposed network maintenance time is very low for emergency medical devices (average maintenance period 9.5 ms) and the re-clustering effects for different mobility enabled non-medical devices are also balanced.

Electronic structure of trioxide, oxoperoxide, oxosuperoxide, and ozonide clusters of the 3d elements: density functional theory study.

PubMed

Uzunova, Ellie L

2011-03-03

The trioxide clusters with stoichiometry MO3, and the structural isomers with side-on and end-on bonded oxygen atoms, are studied by DFT with the B1LYP functional. For the first half of the 3d elements row (Sc to Cr), pyramidal or distorted pyramidal structures dominate among the trioxide and oxoperoxide ground states, while the remaining elements form planar trioxides, oxoperoxides, oxosuperoxides, and ozonides. Low-lying trioxide clusters are formed by Ti, V, Cr, and Mn, among which the distorted pyramidal VO3 in the (2)A'' state, the pyramidal CrO3 in the (1)A1 state, and the planar MnO3 in the (2)A1' state are global minima. With the exception of the middle-row elements Mn, Fe, and Co, the magnetic moment of the ground-state clusters is formed with a major contribution from unpaired electrons located at the oxygen atoms. The stability of trioxides and oxoperoxides toward release of molecular oxygen is significantly higher for Sc, Ti, and V than for the remaining elements of the row. A trend of increasing the capability to dissociate one oxygen molecule is observed from Cr to Cu, with the exception of OFe(O2) being more reactive than OCo(O2). A gradual increase of reactivity from Ti to Cu is observed for the complete fragmentation reaction M + O + O2.

Comparative Analysis of Flower Volatiles from Nine Citrus at Three Blooming Stages

PubMed Central

Azam, Muhammad; Song, Min; Fan, Fangjuan; Zhang, Bo; Xu, Yaying; Xu, Changjie; Chen, Kunsong

2013-01-01

Volatiles from flowers at three blooming stages of nine citrus cultivars were analyzed by headspace-solid phase microextraction (HS-SPME)-GC-MS. Up to 110 volatiles were detected, with 42 tentatively identified from citrus flowers for the first time. Highest amounts of volatiles were present in fully opened flowers of most citrus, except for pomelos. All cultivars were characterized by a high percentage of either oxygenated monoterpenes or monoterpene hydrocarbons, and the presence of a high percentage of nitrogen containing compounds was also observed. Flower volatiles varied qualitatively and quantitatively among citrus types during blooming. Limonene was the most abundant flower volatile only in citrons; α-citral and β-citral ranked 2nd and 3rd only for Bergamot, and unopened flowers of Ponkan had a higher amount of linalool and β-pinene while much lower amount of γ-terpinene and p-cymene than Satsuma. Taking the average of all cultivars, linalool and limonene were the top two volatiles for all blooming stages; β-pinene ranked 3rd in unopened flowers, while indole ranked 3rd for half opened and fully opened flower volatiles. As flowers bloomed, methyl anthranilate increased while 2-hexenal and p-cymene decreased. In some cases, a volatile could be high in both unopened and fully opened flowers but low in half opened ones. Through multivariate analysis, the nine citrus cultivars were clustered into three groups, consistent with the three true citrus types. Furthermore, an influence of blooming stages on clustering was observed, especially with hybrids Satsuma and Huyou. Altogether, it was suggested that flower volatiles can be suitable markers for revealing the genetic relationships between citrus cultivars but the same blooming stage needs to be strictly controlled. PMID:24232454

Comparative analysis of flower volatiles from nine citrus at three blooming stages.

PubMed

Azam, Muhammad; Song, Min; Fan, Fangjuan; Zhang, Bo; Xu, Yaying; Xu, Changjie; Chen, Kunsong

2013-11-13

Volatiles from flowers at three blooming stages of nine citrus cultivars were analyzed by headspace-solid phase microextraction (HS-SPME)-GC-MS. Up to 110 volatiles were detected, with 42 tentatively identified from citrus flowers for the first time. Highest amounts of volatiles were present in fully opened flowers of most citrus, except for pomelos. All cultivars were characterized by a high percentage of either oxygenated monoterpenes or monoterpene hydrocarbons, and the presence of a high percentage of nitrogen containing compounds was also observed. Flower volatiles varied qualitatively and quantitatively among citrus types during blooming. Limonene was the most abundant flower volatile only in citrons; α-citral and β-citral ranked 2nd and 3rd only for Bergamot, and unopened flowers of Ponkan had a higher amount of linalool and β-pinene while much lower amount of γ-terpinene and p-cymene than Satsuma. Taking the average of all cultivars, linalool and limonene were the top two volatiles for all blooming stages; β-pinene ranked 3rd in unopened flowers, while indole ranked 3rd for half opened and fully opened flower volatiles. As flowers bloomed, methyl anthranilate increased while 2-hexenal and p-cymene decreased. In some cases, a volatile could be high in both unopened and fully opened flowers but low in half opened ones. Through multivariate analysis, the nine citrus cultivars were clustered into three groups, consistent with the three true citrus types. Furthermore, an influence of blooming stages on clustering was observed, especially with hybrids Satsuma and Huyou. Altogether, it was suggested that flower volatiles can be suitable markers for revealing the genetic relationships between citrus cultivars but the same blooming stage needs to be strictly controlled.

In situ x-ray diffraction observation of multiple texture turnovers in sputtered Cr films

NASA Astrophysics Data System (ADS)

Zhao, Z. B.; Rek, Z. U.; Yalisove, S. M.; Bilello, J. C.

2004-11-01

A series of Cr films were deposited onto native oxides of (100) Si substrates via a confocal deposition geometry in a magnetron sputter chamber. The film growth chamber was incorporated with an in situ x-ray diffraction system, which allowed the collection of x-ray diffraction data on the growing film in a quasi real time fashion without interruption of film deposition. The in situ x-ray diffraction, coupled with other ex situ characterization techniques, was used to study structural evolutions of the Cr films deposited at various Ar pressures. It was observed that the evolution of the crystallographic structures of Cr films was very sensitive to both deposition conditions and film thickness. With the confocal deposition geometry, the Cr films developed various types of out-of-plane textures. In addition to the (110) and (100) types of textures commonly reported for vapor deposited Cr films, the (111) and (112) types of textures were also observed. The film deposited at low Ar pressure (2 mTorr) developed strong (111) type texture. With the increase in either Ar pressure or film thickness, the Cr films tended to develop (112) and (100) types of texture. At high Ar pressures (>10 mTorr), several changes in texture type with increasing film thickness were observed. The sequence can be described as (110)-->(112)-->(100). The strong tendency for these films to ultimately assume the (100) type of texture could be related to significant rises in substrate temperatures during the late stages of film growth with high Ar pressures. The observation of the multiple texture type changes suggests that the evolution of Cr films is controlled by complex growth kinetics. The competitive growth of grains with different orientations can be altered not only by controllable deposition parameters such as Ar pressure, but also by the variations of in situ film attributes (e.g., residual stress and substrate temperature) occurring concurrently with film growth.

A multi-populations multi-strategies differential evolution algorithm for structural optimization of metal nanoclusters

NASA Astrophysics Data System (ADS)

Fan, Tian-E.; Shao, Gui-Fang; Ji, Qing-Shuang; Zheng, Ji-Wen; Liu, Tun-dong; Wen, Yu-Hua

2016-11-01

Theoretically, the determination of the structure of a cluster is to search the global minimum on its potential energy surface. The global minimization problem is often nondeterministic-polynomial-time (NP) hard and the number of local minima grows exponentially with the cluster size. In this article, a multi-populations multi-strategies differential evolution algorithm has been proposed to search the globally stable structure of Fe and Cr nanoclusters. The algorithm combines a multi-populations differential evolution with an elite pool scheme to keep the diversity of the solutions and avoid prematurely trapping into local optima. Moreover, multi-strategies such as growing method in initialization and three differential strategies in mutation are introduced to improve the convergence speed and lower the computational cost. The accuracy and effectiveness of our algorithm have been verified by comparing the results of Fe clusters with Cambridge Cluster Database. Meanwhile, the performance of our algorithm has been analyzed by comparing the convergence rate and energy evaluations with the classical DE algorithm. The multi-populations, multi-strategies mutation and growing method in initialization in our algorithm have been considered respectively. Furthermore, the structural growth pattern of Cr clusters has been predicted by this algorithm. The results show that the lowest-energy structure of Cr clusters contains many icosahedra, and the number of the icosahedral rings rises with increasing size.

Reinventing the role of consumer research in today's open innovation ecosystem.

PubMed

Moskowitz, Howard R; Saguy, I Sam

2013-01-01

Consumer research (CR) has played a key role in the food and beverage industry. Emerging from laboratory product-tests, it has evolved into a corporate testing service that measures the consumer reactions to products/concepts using a wide range of analyses/metrics. We propose that CR transform itself in light of accelerated knowledge expansion, mounting global, and local economic pressure on corporations and changing consumer needs. The transformation moves from its traditional testing into creating profoundly new knowledge of the product and understanding of the corporation's current and future customers. CR's tasks will involve: contributing/expanding science, applying open innovation principles, and driving consumer-centric innovation. We identify seven paradigm shifts that will change CR, namely: a different way of working--from testing to open sourcing; from good corporate citizen to change leader; open new product development (NPD) process; new management roles/cultures; universities and industry, new education curricula, and cooperation; from battle over control to sustainable sharing is winning model (SiW); and the central role of design. This integrative, innovative CR requires the implementation of three recommendations: start the change process now, fine-tune along the way; create a new marketing/CR department; and educate and professionalize. These recommendations provide the blueprint for jump-starting the process and call for immediate actions to deal with the severity of the crises facing the CR profession.

Magnetic Nature of the CrIII–LnIII Interactions in [CrIII 2LnIII 3] Clusters with Slow Magnetic Relaxation

PubMed Central

Xiang, Shuo; Wang, Jin; Bao, Dong‐Xu; Li, Yun‐Chun

2018-01-01

Abstract Two 3d‐4f hetero‐metal pentanuclear complexes with the formula {[CrIII 2LnIII 3L10(OH)6(H2O)2]Et3NH} [Ln=Tb (1), Dy (2); HL=pivalic acid, Et3N=triethylamine] have been produced. The metal core of each cluster is made up of a trigonal bipyramid with three LnIII ions (plane) and two CrIII ions (above and below) held together by six μ 3‐OH bridges. Also reported with this series is the diamagnetic CrIII–YIII analogue (3). Fortunately, we successfully prepared AlIII–LnIII analogues with the formula {[AlIII 2LnIII 3L10(OH)6(H2O)2]Et3NH⋅H2O} [Ln=Tb (4), Dy (5)], containing diamagnetic AlIII ions, which can be used to evaluate the CrIII–LnIII magnetic nature through a diamagnetic substitution method. Subsequently, static (dc) magnetic susceptibility studies reveal dominant ferromagnetic interactions between CrIII and LnIII ions. Dynamic (ac) magnetic susceptibility studies show frequency‐dependent out‐of‐phase (χ′′) signals for [CrIII 2TbIII 3] (1), [CrIII 2DyIII 3] (2), and [AlIII 2DyIII 3] (5), which are derived from the single‐ion behavior of LnIII ions and/or the CrIII–LnIII ferromagnetic interactions. PMID:29435404

Magnetic Nature of the CrIII-LnIII Interactions in [CrIII2LnIII3] Clusters with Slow Magnetic Relaxation.

PubMed

Zhao, Xiao-Qing; Xiang, Shuo; Wang, Jin; Bao, Dong-Xu; Li, Yun-Chun

2018-02-01

Two 3 d -4 f hetero-metal pentanuclear complexes with the formula {[Cr III 2 Ln III 3 L 10 (OH) 6 (H 2 O) 2 ]Et 3 NH} [Ln=Tb ( 1 ), Dy ( 2 ); HL=pivalic acid, Et 3 N=triethylamine] have been produced. The metal core of each cluster is made up of a trigonal bipyramid with three Ln III ions (plane) and two Cr III ions (above and below) held together by six μ 3 -OH bridges. Also reported with this series is the diamagnetic Cr III -Y III analogue ( 3 ). Fortunately, we successfully prepared Al III -Ln III analogues with the formula {[Al III 2 Ln III 3 L 10 (OH) 6 (H 2 O) 2 ]Et 3 NH⋅H 2 O} [Ln=Tb ( 4 ), Dy ( 5 )], containing diamagnetic Al III ions, which can be used to evaluate the Cr III -Ln III magnetic nature through a diamagnetic substitution method. Subsequently, static (dc) magnetic susceptibility studies reveal dominant ferromagnetic interactions between Cr III and Ln III ions. Dynamic (ac) magnetic susceptibility studies show frequency-dependent out-of-phase ( χ '') signals for [Cr III 2 Tb III 3 ] ( 1 ), [Cr III 2 Dy III 3 ] ( 2 ), and [Al III 2 Dy III 3 ] ( 5 ), which are derived from the single-ion behavior of Ln III ions and/or the Cr III -Ln III ferromagnetic interactions.

A series of Zn/Cd coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures and luminescence sensing of Cr{sup 3+} in aqueous solutions

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

Hu, Dong-Cheng; Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University, Shantou 515063; Fan, Yan

A novel series of Zn/Cd coordination polymers based on H{sub 3}L, namely, [Zn{sub 2}(HL){sub 2}(bipy){sub 2}(H{sub 2}O){sub 6}]{sub n} (1), [Zn(HL)(phen)]{sub n} (2), [Cd{sub 3}L{sub 2}(bbi){sub 3}]{sub n} (3), [Zn{sub 3}L{sub 2}(bbi){sub 3}]{sub n} (4) [(H{sub 3}L =4-[(1-carboxynaphthalen-2-yl)oxy]phthalic acid, bipy =4,4′-bipyridine, phen =1,10-phenanthroline, bbi =1,1′-(1,4-butanediyl)bis(imidazole] have been successfully synthesized by solvothermal reaction. Compound 1 possesses two diverse 1D chains constructed by different bipy coligands, which were further connected to form a 3D supramolecular architecture by hydrogen bonding interactions. Compound 2 possesses a complicated 1D chain based on secondary building unit (SBU) with binuclear Zn cluster. Compounds 3 and 4 exhibitmore » similar 2D→3D framework, which can be rationalized as (3,4,4)-connected 3D net with a Schläfli symbol of (6{sup 3}.8.10{sup 2}){sub 2}(6{sup 3}){sub 2}(6{sup 4}.8.10). In particular, compound 3 exhibited a high sensitivity for Cr{sup 3+} in aqueous solutions, which suggest that compound 3 is a promising luminescent probe for selectively sensing Cr{sup 3+}. - Graphical abstract: A series of novel Zn/Cd coordination polymers have been successfully synthesized by solvothermal reaction. The unique 3D Cd{sup 2+} polymer containing bbi as second ligand demonstrates high sensitivity for detection of toxic Cr{sup 3+} in aqueous solutions. Display Omitted - Highlights: • π-conjugated semirigid tricarboxylate ligands with naphthalene rings(H{sub 3}L) were rationally designed. • Four Zn/Cd coordination polymers based on H{sub 3}L have been successfully synthesized by solvothermal reaction. • Compound 3 is a promising luminescent probe for selectively sensing Cr{sup 3+} with high sensitivity in aqueous solutions.« less

Constructing CrIII-centered heterometallic complexes: [NiCrIII] and [CoCrIII] wheels.

PubMed

Kakaroni, Foteini E; Collet, Alexandra; Sakellari, Eirini; Tzimopoulos, Demetrios I; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Milios, Constantinos J

2017-12-19

The solvothermal reaction between Cr(acac) 3 , MCl 2 ·6H 2 O (M = Ni, Co) and 2-hydroxy-4-methyl-6-phenyl-pyridine-3-amidoxime (H 2 L), under basic conditions, led to the synthesis of the heterometallic heptanuclear clusters [MCr(HL zw ) 6 (HL) 6 ]·3Cl (M = Ni, 1; Co, 2), with the nickel analogue displaying an S = 9/2 spin ground-state.

Cognitive Readiness Assessment and Reporting: An Open Source Mobile Framework for Operational Decision Support and Performance Improvement

ERIC Educational Resources Information Center

Heric, Matthew; Carter, Jenn

2011-01-01

Cognitive readiness (CR) and performance for operational time-critical environments are continuing points of focus for military and academic communities. In response to this need, we designed an open source interactive CR assessment application as a highly adaptive and efficient open source testing administration and analysis tool. It is capable…

Atomistic clustering-ordering and high-strain deformation of an Al0.1CrCoFeNi high-entropy alloy

PubMed Central

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.; Liaw, Peter K.; Balasubramanian, Ganesh

2016-01-01

Computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived properties are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study AlxCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al0.1CrCoFeNi. PMID:27498807

Atomistic clustering-ordering and high-strain deformation of an Al 0.1CrCoFeNi high-entropy alloy

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

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.

2016-08-08

Here, computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived propertiesmore » are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study Al xCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al 0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al 0.1CrCoFeNi.« less

Photospheric carbon and oxygen abundances of F-G type stars in the Pleiades cluster*

NASA Astrophysics Data System (ADS)

Takeda, Yoichi; Hashimoto, Osamu; Honda, Satoshi

2017-02-01

In order to investigate the carbon-to-oxygen ratio of the young open cluster M 45 (Pleiades), the C and O abundances of 32 selected F-G type dwarfs (in the effective temperature range of Teff ˜ 5800-7600 K and projected rotational velocity range of vesin i ˜ 10-110 km s-1) belonging to this cluster were determined by applying the synthetic spectrum-fitting technique to C i 5380 and O i 6156-8 lines. The non-local thermodynamical equilibrium corrections for these C i and O i lines were found to be practically negligible (less than a few hundredths dex).The resulting C and O abundances (along with the Fe abundance) turned out nearly uniform without any systematic dependence upon Teff or vesin i. We found, however, in spite of almost solar Fe abundance ([Fe/H] ˜ 0), carbon turned out to be slightly subsolar ([C/H] ˜ -0.1) while that of oxygen was slightly supersolar ([O/H] ˜ +0.1). This leads to a conclusion that the [C/O] ratio was moderately subsolar (˜ -0.2) in the primordial gas from which these Pleiades stars were formed ˜ 120-130 Myr ago. Interestingly, similarly young B-type stars are reported to show just the same result ([C/O] ˜ -0.2), while rather aged (˜ 1-10 Gyr) field F-G stars of near-solar metallicity yield almost the solar value ([C/O] ˜ 0) on average. Such a difference in the C/O ratio between two star groups of distinctly different ages may be explained as a consequence of the orbit migration mechanism which Galactic stars may undergo over a long time.

Risk factors for infections due to carbapenem-resistant Klebsiella pneumoniae after open heart surgery.

PubMed

Salsano, Antonio; Giacobbe, Daniele Roberto; Sportelli, Elena; Olivieri, Guido Maria; Brega, Carlotta; Di Biase, Carlo; Coppo, Erika; Marchese, Anna; Del Bono, Valerio; Viscoli, Claudio; Santini, Francesco

2016-11-01

Patients undergoing major surgery are at increased risk of developing infections due to resistant organisms, including carbapenem-resistant Klebsiella pneumoniae (CR-Kp). In this study, we assessed risk factors for CR-Kp infections after open heart surgery in a teaching hospital in northern Italy. A retrospective study was conducted from January to December 2014. The primary outcome measure was postoperative CR-Kp infection, defined as a time-to-event end-point. The effect of potentially related variables was assessed by univariable and multivariable analyses. Secondary end-points were in-hospital mortality and 180-day postoperative mortality. Among 553 patients undergoing open heart surgery, 32 developed CR-Kp infections (6%). In the final multivariable model, CR-Kp colonization [hazard ratio (HR) 227.45, 95% confidence intervals (CI) 67.13-1225.20, P < 0.001], cardiopulmonary bypass time in minutes (HR 1.01, 95% CI 1.01-1.02, P < 0.001), chronic obstructive pulmonary disease (HR 3.99, 95% CI 1.61-9.45, P = 0.004), SOFA score (HR 1.29, 95% CI 1.08-1.53, P = 0.007), preoperative mechanical ventilation (HR 8.10, 95% CI 1.31-48.57, P = 0.026), prolonged mechanical ventilation (HR 2.48, 95% CI 1.08-6.15, P = 0.032) and female sex (HR 2.08, 95% CI 1.00-4.36, P = 0.049) were associated with the development of CR-Kp infection. Increased in-hospital mortality and 180-day mortality were observed in patients who developed CR-Kp infections in comparison with those who did not. In our cohort, CR-Kp colonization was an important predictor of CR-Kp infection after open heart surgery. CR-Kp infection after surgery significantly affected survival. Preventing colonization is conceivably the most effective current strategy to reduce the impact of CR-Kp. © The Author 2016. Published by Oxford University Press on behalf of the European Association for Cardio-Thoracic Surgery. All rights reserved.

Structures and Spectroscopic Properties of F-(H2O) n with n = 1-10 Clusters from a Global Search Based On Density Functional Theory.

PubMed

Shi, Ruili; Wang, Pengju; Tang, Lingli; Huang, Xiaoming; Chen, Yonggang; Su, Yan; Zhao, Jijun

2018-04-05

Using a genetic algorithm incorporated in density functional theory, we explore the ground state structures of fluoride anion-water clusters F - (H 2 O) n with n = 1-10. The F - (H 2 O) n clusters prefer structures in which the F - anion remains at the surface of the structure and coordinates with four water molecules, as the F - (H 2 O) n clusters have strong F - -H 2 O interactions as well as strong hydrogen bonds between H 2 O molecules. The strong interaction between the F - anion and adjacent H 2 O molecule leads to a longer O-H distance in the adjacent molecule than in an individual water molecule. The simulated infrared (IR) spectra of the F - (H 2 O) 1-5 clusters obtained via second-order vibrational perturbation theory (VPT2) and including anharmonic effects reproduce the experimental results quite well. The strong interaction between the F - anion and water molecules results in a large redshift (600-2300 cm -1 ) of the adjacent O-H stretching mode. Natural bond orbital (NBO) analysis of the lowest-energy structures of the F - (H 2 O) 1-10 clusters illustrates that charge transfer from the lone pair electron orbital of F - to the antibonding orbital of the adjacent O-H is mainly responsible for the strong interaction between the F - anion and water molecules, which leads to distinctly different geometric and vibrational properties compared with neutral water clusters.

Pt/Au nanoalloy supported on alumina and chlorided alumina: DFT and experimental analysis

NASA Astrophysics Data System (ADS)

Sharifi, N.; Falamaki, C.; Ghorbanzadeh Ahangari, M.

2018-04-01

Density functional theory (DFT) was used to explore the adsorption of Pt/Au nanoalloy onto a pure and chlorided γ-Al2O3(110) surface, which has been applied in numerous catalytic reactions. First, we considered the adsorption properties of Pt clusters (n ≤ 5) onto the Al2O3(110) surface to determine the most stable Pt cluster on alumina surface in reforming processes. After full structural relaxations of Pt clusters at various configurations on alumina, our computed results expressed that the minimum binding energy (‑5.67 eV) is accrued for Pt4 cluster and the distance between the nearest Pt atom in the cluster to the alumina surface is equal to 1.13 Å. Then, we investigated the binding energies, geometries, and electronic properties of adsorbed Aun clusters (n ≤ 6) on the γ-Al2O3(110) surface. Our studied showed that Au5 was the most thermodynamically stable structure on γ-Al2O3. Finally, we inspected these properties for adsorbed Au clusters onto the Pt4-decorated alumina (Aun/Pt4-alumina) system. The binding energy of the Au4/Pt4-alumina system was ‑5.01 eV, and the distance between Au4 cluster and Pt4-alumina was 1.33 Å. The Au4/Pt4alumina system was found to be the most stable nanometer-sized catalyst design. At last, our first-principles calculations predicted that the best position of embedment Cl on the Au4/Pt4-alumina.

Automatic removal of cosmic ray signatures in Deep Impact images

NASA Astrophysics Data System (ADS)

Ipatov, S. I.; A'Hearn, M. F.; Klaasen, K. P.

The results of recognition of cosmic ray (CR) signatures on single images made during the Deep Impact mission were analyzed for several codes written by several authors. For automatic removal of CR signatures on many images, we suggest using the code imgclean ( http://pdssbn.astro.umd.edu/volume/didoc_0001/document/calibration_software/dical_v5/) written by E. Deutsch as other codes considered do not work properly automatically with a large number of images and do not run to completion for some images; however, other codes can be better for analysis of certain specific images. Sometimes imgclean detects false CR signatures near the edge of a comet nucleus, and it often does not recognize all pixels of long CR signatures. Our code rmcr is the only code among those considered that allows one to work with raw images. For most visual images made during low solar activity at exposure time t > 4 s, the number of clusters of bright pixels on an image per second per sq. cm of CCD was about 2-4, both for dark and normal sky images. At high solar activity, it sometimes exceeded 10. The ratio of the number of CR signatures consisting of n pixels obtained at high solar activity to that at low solar activity was greater for greater n. The number of clusters detected as CR signatures on a single infrared image is by at least a factor of several greater than the actual number of CR signatures; the number of clusters based on analysis of two successive dark infrared frames is in agreement with an expected number of CR signatures. Some glitches of false CR signatures include bright pixels repeatedly present on different infrared images. Our interactive code imr allows a user to choose the regions on a considered image where glitches detected by imgclean as CR signatures are ignored. In other regions chosen by the user, the brightness of some pixels is replaced by the local median brightness if the brightness of these pixels is greater by some factor than the median brightness. The interactive code allows one to delete long CR signatures and prevents removal of false CR signatures near the edge of the nucleus of the comet. The interactive code can be applied to editing any digital images. Results obtained can be used for other missions to comets.

Fractalkine Signaling Attenuates Perivascular Clustering of Microglia and Fibrinogen Leakage during Systemic Inflammation in Mouse Models of Diabetic Retinopathy

PubMed Central

Mendiola, Andrew S.; Garza, Rolando; Cardona, Sandra M.; Mythen, Shannon A.; Lira, Sergio A.; Akassoglou, Katerina; Cardona, Astrid E.

2017-01-01

Fractalkine (FKN) is a chemokine expressed constitutively by healthy neurons and signals to microglia upon interaction with the FKN receptor, CX3CR1. Signaling between FKN and CX3CR1 transduces inhibitory signals that ameliorate microglial activation and proinflammatory cytokine release in neuroinflammatory conditions. The aim of this study is to determine the mechanisms associated with microglial activation and vascular leakage during diabetic retinopathy (DR) and under conditions of low-level endotoxemia, common in diabetic patients. Utilizing the Ins2Akita strain (Akita), a mouse model of type 1 diabetes, our results show that leakage of the blood-protein fibrin(ogen) into the retina occurs as a result of chronic (4 months) but not acute (1.5 months) hyperglycemia. Conversely, inducing endotoxin-mediated systemic inflammation during acute diabetes resulted in fibrinogen deposition in the retina, a phenotype that was exacerbated in mice lacking CX3CR1 signaling. Systemic inflammation in Cx3cr1−/− mice led to robust perivascular clustering of proliferating microglia in areas of fibrinogen extravasation, and induced IL-1β expression in microglia and astrocytes. Lastly, we determined a protective effect of modulating FKN/CX3CR1 signaling in the diabetic retina. We show that intravitreal (iv) administration of recombinant FKN into diabetic FKN-KO mice, reduced fibrinogen deposition and perivascular clustering of microglia in the retina during systemic inflammation. These data suggest that dysregulated microglial activation via loss of FKN/CX3CR1 signaling disrupts the vascular integrity in retina during systemic inflammation. PMID:28119571

Photometric Analyses of the Short-Period Contact Binaries HY Pavonis, AW Virginis, and BP Velorum

NASA Astrophysics Data System (ADS)

Lapasset, Emilio; Gomez, Mercedes; Farinas, Raul

1996-04-01

We present BV light curve synthetic analyses of three short period contact (W UMa) binaries: HY Pavonis (P ~0.35 days), AW Virginis (P ~0.35 days), and BP Velorum (P ~0.26 days). Different possible configurations for a wide range of the mass ratio were explored in each case making use of the Wilson-Divinney code. The photometric parameters of the systems were determined from the synthetic light curve solutions that best fit the observations. AW Vir has two components of very similar temperatures and therefore the subtype (A or W) remains undetermined. HY Pav and BP Vel are best modeled by W-type configurations and the asymmetries in the light curves are reproduced by introducing cool spots on the more massive secondary components. Even when BP Vel lies in the region of the open cluster Cr 173, its distance modulus, in principle, rules it out as a cluster member. (SECTION: Stars)

Tetranuclear clusters containing a CrIII-doped MnIII4O2 core: syntheses, structures, and magnetic properties.

PubMed

Ma, Yun-Sheng; Li, Yi-Zhi; Song, You; Zheng, Li-Min

2008-06-02

The oxidation of MnII carboxylates by (NBu4)Cr2O7 in the presence of different phosphonic acids and chelating ligands results in six CrIII-doped tetranuclear manganese clusters formulated [Mn3CrO2(O2CCH3)4(O3PC5H4N)2(bpy)2] (1), [Mn3CrO2(O2CCH3)4(O3PC5H4N)2(phen)2] (2), [Mn3CrO2(O2CPh)4(O3PC5H4NO)2(phen)2] (3), [Mn3CrO2(O2CPh)4(O3PC6H11)2(bpy)2] (4), [Mn 3CrO2(O2CPh)4(O3PC6H11)2(phen) 2] (5), and [Mn3CrO2(O2CCH3)4(O3PC6H11)2(bpy)2] (6). Single-crystal X-ray analyses reveal that all the compounds contain similar [M4O2]8+ cores with the four metal sites arranged in planar topologies. The metal ions within the core are bridged by both carboxylate and phosphonate ligands. Temperature-dependent magnetic measurements show that in all cases dominant antiferromagnetic interactions are propagated between the metal centers. The ac magnetic measurements on compounds 5 and 6 reveal that both the in-phase and the out-of-phase signals are frequency dependent, characteristic of single-molecule magnet behaviors.

Effect of post-irradiation annealing on the irradiated microstructure of neutron-irradiated 304L stainless steel

NASA Astrophysics Data System (ADS)

Jiao, Z.; Hesterberg, J.; Was, G. S.

2018-03-01

Post-irradiation annealing was performed on a 304L SS that was irradiated to 5.9 dpa in the Barsebäck 1 BWR reactor. Evolution of dislocation loops, radiation-induced solute clusters and radiation-induced segregation at the grain boundary was investigated following thermal annealing at 500 °C and 550 °C up to 20 h. Dislocation loops, Ni-Si and Al-Cu clusters, and enrichment of Ni, Si and depletion of Cr at the grain boundary were observed in the as-irradiated condition. Dislocation loop size did not change significantly after annealing at 550 °C for 5 h but the loop number density decreased considerably and loops mostly disappeared after annealing at 550 °C for 20 h. The average size of Ni-Si and Al-Cu clusters increased while the number density decreased with annealing. The increase in cluster size was due to diffusion of solutes rather than cluster coarsening. Significant volume fractions of Ni-Si and Al-Cu clusters still remained after annealing at 550 °C for 20 h. Substantial recovery of Cr and Ni at the grain boundary was observed after annealing at 550 °C for 5 h but neither Cr nor Ni was fully recovered after 20 h. Annihilation of dislocation loops, driven by the thermal vacancy concentration gradient caused by the strain field and stacking fault associated with the loops appeared to be faster than annihilation of solute clusters and recovery of Ni and Si at the grain boundary, both of which are driven by the solute concentration gradients.

Spatial distribution and ecological risk assessment of heavy metal on surface sediment in west part of Java Sea

NASA Astrophysics Data System (ADS)

Effendi, Hefni; Wardiatno, Yusli; Kawaroe, Mujizat; Mursalin; Fauzia Lestari, Dea

2017-01-01

The surface sediments were identified from west part of Java Sea to evaluate spatial distribution and ecological risk potential of heavy metals (Hg, As, Cd, Cr, Cu, Pb, Zn and Ni). The samples were taken from surface sediment (<0.5 m) in 26 m up to 80 m water depth with Eikman grab. The average material composition on sediment samples were clay (9.86%), sand (8.57%) and mud sand (81.57%). The analysis showed that Pb (11.2%), Cd (49.7%), and Ni (59.5%) exceeded of Probably Effect Level (PEL). Base on ecological risk analysis, {{Cd }}≤ft( {E_r^i:300.64} \\right) and {{Cr }}≤ft( {E_r^i:0.02} \\right) were categorized to high risk and low risk criteria. The ecological risk potential sequences of this study were Cd>Hg>Pb>Ni>Cu>As>Zn>Cr. Furthermore, the result of multivariate statistical analysis shows that correlation among heavy metals (As/Ni, Cd/Ni, and Cu/Zn) and heavy metals with Risk Index (Cd/Ri and Ni/Ri) had positive correlation in significance level p<0.05. Total variance of analysis factor was 80.04% and developed into 3 factors (eigenvalues >1). On the cluster analysis, Cd, Ni, Pb were identified as fairly high contaminations level (cluster 1), Hg as moderate contamination level (cluster 2) and Cu, Zn, Cr with lower contamination level (cluster 3).

Cluster-distinguishing genotypic and phenotypic diversity of carbapenem-resistant Gram-negative bacteria in solid-organ transplantation patients: a comparative study.

PubMed

Karampatakis, Theodoros; Geladari, Anastasia; Politi, Lida; Antachopoulos, Charalampos; Iosifidis, Elias; Tsiatsiou, Olga; Karyoti, Aggeliki; Papanikolaou, Vasileios; Tsakris, Athanassios; Roilides, Emmanuel

2017-07-31

Solid-organ transplant recipients may display high rates of colonization and/or infection by multidrug-resistant bacteria. We analysed and compared the phenotypic and genotypic diversity of carbapenem-resistant (CR) strains of Klebsiella pneumoniae, Pseudomonas aeruginosa and Acinetobacter baumannii isolated from patients in the Solid Organ Transplantation department of our hospital. Between March 2012 and August 2013, 56 CR strains from various biological fluids underwent antimicrobial susceptibility testing with VITEK 2, molecular analysis by PCR amplification and genotypic analysis with pulsed-field gel electrophoresis (PFGE). They were clustered according to antimicrobial drug susceptibility and genotypic profiles. Diversity analyses were performed by calculating Simpson's diversity index and applying computed rarefaction curves.Results/Key findings. Among K. pneumoniae, KP-producers predominated (57.1 %). VIM and OXA-23 carbapenemases prevailed among P. aeruginosa and A. baumannii (89.4 and 88.9 %, respectively). KPC-producing K. pneumoniae and OXA-23 A. baumannii were assigned in single PFGE pulsotypes. VIM-producing P. aeruginosa generated multiple pulsotypes. CR K. pneumoniae strains displayed phenotypic diversity in tigecycline, colistin (CS), amikacin (AMK), gentamicin (GEN) and co-trimoxazole (SXT) (16 clusters); P. aeruginosa displayed phenotypic diversity in cefepime (FEP), ceftazidime, aztreonam, piperacillin, piperacillin-tazobactam, AMK, GEN and CS (9 clusters); and A. baumannii displayed phenotypic diversity in AMK, GEN, SXT, FEP, tobramycin and rifampicin (8 clusters). The Simpson diversity indices for the interpretative phenotype and PFGE analysis were 0.89 and 0.6, respectively, for K. pneumoniae strains (P<0.001); 0.77 and 0.6 for P. aeruginosa (P=0.22); and 0.86 and 0.19 for A. baumannii (P=0.004). The presence of different antimicrobial susceptibility profiles does not preclude the possibility that two CR K. pneumoniae or A. baumannii isolates are clonally related.

Peculiar motions of galaxy clusters in the regions of the Corona Borealis, Bootes, Z 5029/A 1424, A 1190, A 1750/A 1809 superclusters of galaxies

NASA Astrophysics Data System (ADS)

Kopylova, F. G.; Kopylov, A. I.

2017-10-01

We present results of the study of peculiar motions of 57 clusters and groups of galaxies in the regions of the Corona Borealis (CrB), Bootes (Boo), Z5029/A1424, A1190, A1750/A1809 superclusters of galaxies and the galaxy clusters located beyond massive structures (0.05 < z < 0.10). Using the SDSS (Data Release 8) data, a sample of early-type galaxies was compiled in the systems under study, their fundamental planes were built, and relative distances and peculiar velocities were determined. Within the galaxy superclusters, significant peculiar motions along the line of sight are observed with rms deviations of 652 ± 50 kms-1—in CrB, 757 ± 70 kms-1—in Boo. In the most massive A2065 cluster in the CrB supercluster, no peculiar velocity was found. Peculiar motions of the other galaxy clusters can be caused by their gravitational interaction both with A2065 and with the A2142 supercluster. It has been found that there are two superclusters projected onto each other in the region of the Bootes supercluster with a radial velocity difference of about 4000 kms-1. In the Z 5029/A1424 supercluster near the rich Z5029 cluster, the most considerable peculiar motions with a rms deviations of 1366 ± 170 kms-1 are observed. The rms deviations of peculiar velocities of 20 clusters that do not belong to large-scale structures is equal to 0 ± 20 kms-1. The whole sample of the clusters under study has the mean peculiar velocity equal to 83 ± 130 kms-1 relative to the cosmic microwave background.

Application of a three-feature dispersed-barrier hardening model to neutron-irradiated Fe-Cr model alloys

NASA Astrophysics Data System (ADS)

Bergner, F.; Pareige, C.; Hernández-Mayoral, M.; Malerba, L.; Heintze, C.

2014-05-01

An attempt is made to quantify the contributions of different types of defect-solute clusters to the total irradiation-induced yield stress increase in neutron-irradiated (300 °C, 0.6 dpa), industrial-purity Fe-Cr model alloys (target Cr contents of 2.5, 5, 9 and 12 at.% Cr). Former work based on the application of transmission electron microscopy, atom probe tomography, and small-angle neutron scattering revealed the formation of dislocation loops, NiSiPCr-enriched clusters and α‧-phase particles, which act as obstacles to dislocation glide. The values of the dimensionless obstacle strength are estimated in the framework of a three-feature dispersed-barrier hardening model. Special attention is paid to the effect of measuring errors, experimental details and model details on the estimates. The three families of obstacles and the hardening model are well capable of reproducing the observed yield stress increase as a function of Cr content, suggesting that the nanostructural features identified experimentally are the main, if not the only, causes of irradiation hardening in these model alloys.

APE-Type Non-LTR Retrotransposons of Multicellular Organisms Encode Virus-Like 2A Oligopeptide Sequences, Which Mediate Translational Recoding during Protein Synthesis

PubMed Central

Odon, Valerie; Luke, Garry A.; Roulston, Claire; Brown, Jeremy D.; Ryan, Martin D.; Sukhodub, Andriy

2013-01-01

2A oligopeptide sequences (“2As”) mediate a cotranslational recoding event termed “ribosome skipping.” Previously we demonstrated the activity of 2As (and “2A-like sequences”) within a wide range of animal RNA virus genomes and non-long terminal repeat retrotransposons (non-LTRs) in the genomes of the unicellular organisms Trypanosoma brucei (Ingi) and T. cruzi (L1Tc). Here, we report the presence of 2A-like sequences in the genomes of a wide range of multicellular organisms and, as in the trypanosome genomes, within non-LTR retrotransposons (non-LTRs)—clustering in the Rex1, Crack, L2, L2A, and CR1 clades, in addition to Ingi. These 2A-like sequences were tested for translational recoding activity, and highly active sequences were found within the Rex1, L2, CR1, and Ingi clades. The presence of 2A-like sequences within non-LTRs may not only represent a method of controlling protein biogenesis but also shows some correlation with such apurinic/apyrimidinic DNA endonuclease-type non-LTRs encoding one, rather than two, open reading frames (ORFs). Interestingly, such non-LTRs cluster with closely related elements lacking 2A-like recoding elements but retaining ORF1. Taken together, these observations suggest that acquisition of 2A-like translational recoding sequences may have played a role in the evolution of these elements. PMID:23728794

Effect of 0.25 and 2.0 MeV He-Ion Irradiation on Short-Range Ordering in Model (EFDA) Fe-Cr Alloys

NASA Astrophysics Data System (ADS)

Dubiel, Stanisław M.; Żukrowski, Jan; Serruys, Yves

2018-05-01

The effects of He+ irradiation on a distribution of Cr atoms in Fe100-x Cr x (x = 5.8, 10.75, 15.15) alloys were studied by 57Fe Conversion Electron Mössbauer Spectroscopy (CEMS). The alloys were irradiated with doses up to 12 × 1016 ions/cm2 with 0.25 and 2.0 MeV He+ ions. The distribution of Cr atoms within the first two coordination shells around Fe atoms was expressed with short-range order parameters α 1 (first-neighbor shell, 1NN), α 2 (second-neighbor shell, 2NN), and α 12 (1NN + 2NN). In non-irradiated alloys, α 1 >0 and α 2 <0 was revealed for all three samples. The value of α 12 ≈0, i.e., the distribution of Cr atoms averaged over 1NN and 2NN, was random. The effect of the irradiation of the Fe94.2Cr5.8 alloy was similar for the two energies of He+, viz., increase of number of Cr atoms in 1NN and decrease in 2NN. Consequently, the degree of ordering increased. For the other two samples, the effect of the irradiation depends on the composition, and is stronger for the less energetic ions where, for Fe89.25Cr10.75 alloy, the disordering disappeared and some traces of Cr clustering appeared. In Fe84.85Cr15.15 alloy, the clustering was clear. In the samples irradiated with 2. 0 MeV He+ ions, the ordering also survived in the samples with x = 10.75 and 15.15, yet its degree became smaller than in the Fe94.2Cr5.8 alloy.

The tight-adhesion proteins TadGEF of Bradyrhizobium diazoefficiens USDA 110 are involved in cell adhesion and infectivity on soybean roots.

PubMed

Mongiardini, Elías J; Parisi, Gustavo D; Quelas, Juan I; Lodeiro, Aníbal R

2016-01-01

Adhesion of symbiotic bacteria to host plants is an essential early step of the infection process that leads to the beneficial interaction. In the Bradyrhizobium diazoefficiens-soybean symbiosis few molecular determinants of adhesion are known. Here we identified the tight-adhesion gene products TadGEF in the open-reading frames blr3941-blr3943 of the B. diazoefficiens USDA 110 complete genomic sequence. Predicted structure of TadG indicates a transmembrane domain and two extracytosolic domains, from which the C-terminal has an integrin fold. TadE and TadF are also predicted as bearing transmembrane segments. Mutants in tadG or the small cluster tadGEF were impaired in adhesion to soybean roots, and the root infection was delayed. However, nodule histology was not compromised by the mutations, indicating that these effects were restricted to the earliest contact of the B. diazoefficiens and root surfaces. Knowledge of preinfection determinants is important for development of inoculants that are applied to soybean crops worldwide. Copyright © 2015 Elsevier GmbH. All rights reserved.

The Population History of Endogenous Retroviruses in Mule Deer (Odocoileus hemionus)

PubMed Central

2014-01-01

Mobile elements are powerful agents of genomic evolution and can be exceptionally informative markers for investigating species and population-level evolutionary history. While several studies have utilized retrotransposon-based insertional polymorphisms to resolve phylogenies, few population studies exist outside of humans. Endogenous retroviruses are LTR-retrotransposons derived from retroviruses that have become stably integrated in the host genome during past infections and transmitted vertically to subsequent generations. They offer valuable insight into host-virus co-evolution and a unique perspective on host evolutionary history because they integrate into the genome at a discrete point in time. We examined the evolutionary history of a cervid endogenous gammaretrovirus (CrERVγ) in mule deer (Odocoileus hemionus). We sequenced 14 CrERV proviruses (CrERV-in1 to -in14), and examined the prevalence and distribution of 13 proviruses in 262 deer among 15 populations from Montana, Wyoming, and Utah. CrERV absence in white-tailed deer (O. virginianus), identical 5′ and 3′ long terminal repeat (LTR) sequences, insertional polymorphism, and CrERV divergence time estimates indicated that most endogenization events occurred within the last 200000 years. Population structure inferred from CrERVs (F ST = 0.008) and microsatellites (θ = 0.01) was low, but significant, with Utah, northwestern Montana, and a Helena herd being particularly differentiated. Clustering analyses indicated regional structuring, and non-contiguous clustering could often be explained by known translocations. Cluster ensemble results indicated spatial localization of viruses, specifically in deer from northeastern and western Montana. This study demonstrates the utility of endogenous retroviruses to elucidate and provide novel insight into both ERV evolutionary history and the history of contemporary host populations. PMID:24336966

The population history of endogenous retroviruses in mule deer (Odocoileus heminous)

USGS Publications Warehouse

Kamath, Pauline L.; Elleder, Daniel; Bao, Le; Cross, Paul C.; Powell, John H.; Poss, Mary

2013-01-01

Mobile elements are powerful agents of genomic evolution and can be exceptionally informative markers for investigating species and population-level evolutionary history. While several studies have utilized retrotransposon-based insertional polymorphisms to resolve phylogenies, few population studies exist outside of humans. Endogenous retroviruses are LTR-retrotransposons derived from retroviruses that have become stably integrated in the host genome during past infections and transmitted vertically to subsequent generations. They offer valuable insight into host-virus co-evolution and a unique perspective on host evolutionary history because they integrate into the genome at a discrete point in time. We examined the evolutionary history of a cervid endogenous gammaretrovirus (CrERVγ) in mule deer (Odocoileus hemionus). We sequenced 14 CrERV proviruses (CrERV-in1 to -in14), and examined the prevalence and distribution of 13 proviruses in 262 deer among 15 populations from Montana, Wyoming, and Utah. CrERV absence in white-tailed deer (O. virginianus), identical 5′ and 3′ long terminal repeat (LTR) sequences, insertional polymorphism, and CrERV divergence time estimates indicated that most endogenization events occurred within the last 200000 years. Population structure inferred from CrERVs (F ST = 0.008) and microsatellites (θ = 0.01) was low, but significant, with Utah, northwestern Montana, and a Helena herd being particularly differentiated. Clustering analyses indicated regional structuring, and non-contiguous clustering could often be explained by known translocations. Cluster ensemble results indicated spatial localization of viruses, specifically in deer from northeastern and western Montana. This study demonstrates the utility of endogenous retroviruses to elucidate and provide novel insight into both ERV evolutionary history and the history of contemporary host populations.

Atom probe tomography of the evolution of the nanostructure of oxide dispersion strengthened steels under ion irradiation

NASA Astrophysics Data System (ADS)

Orlov, N. N.; Rogozhkin, S. V.; Bogachev, A. A.; Korchuganova, O. A.; Nikitin, A. A.; Zaluzhnyi, A. G.; Kozodaev, M. A.; Kulevoy, T. V.; Kuibeda, R. P.; Fedin, P. A.; Chalykh, B. B.; Lindau, R.; Hoffmann, Ya.; Möslang, A.; Vladimirov, P.

2017-09-01

The atom probe tomography of the nanostructure evolution in ODS1 Eurofer, ODS 13.5Cr, and ODS 13.5Cr-0.3Ti steels under heavy ion irradiation at 300 and 573 K is performed. The samples were irradiated by 5.6 MeV Fe2+ ions and 4.8 MeV Ti2+ ions to a fluence of 1015 cm-2. It is shown that the number of nanoclusters increases by a factor of 2-3 after irradiation. The chemical composition of the clusters in the steels changes after irradiation at 300 K, whereas the chemical composition of the clusters in the 13.5Cr-0.3Ti ODS steel remains the same after irradiation at 573 K.

First CCD UBVI photometric analysis of six open cluster candidates

NASA Astrophysics Data System (ADS)

Piatti, A. E.; Clariá, J. J.; Ahumada, A. V.

2011-04-01

We have obtained CCD UBVIKC photometry down to V ˜ 22 for the open cluster candidates Haffner 3, Haffner 5, NGC 2368, Haffner 25, Hogg 3 and Hogg 4 and their surrounding fields. None of these objects have been photometrically studied so far. Our analysis shows that these stellar groups are not genuine open clusters since no clear main sequences or other meaningful features can be seen in their colour-magnitude and colour-colour diagrams. We checked for possible differential reddening across the studied fields that could be hiding the characteristics of real open clusters. However, the dust in the directions to these objects appears to be uniformly distributed. Moreover, star counts carried out within and outside the open cluster candidate fields do not support the hypothesis that these objects are real open clusters or even open cluster remnants.

First-principle study of structural, electronic and magnetic properties of (FeC)n (n = 1-8) and (FeC)8TM (TM = V, Cr, Mn and Co) clusters.

PubMed

Li, Cheng-Gang; Zhang, Jie; Zhang, Wu-Qin; Tang, Ya-Nan; Ren, Bao-Zeng; Hu, Yan-Fei

2017-12-13

The structural, electronic and magnetic properties of the (FeC) n (n = 1-8) clusters are studied using the unbiased CALYPSO structure search method and density functional theory. A combination of the PBE functional and 6-311 + G* basis set is used for determining global minima on potential energy surfaces of (FeC) n clusters. Relatively stabilities are analyzed via computing their binding energies, second order difference and HOMO-LUMO gaps. In addition, the origin of magnetic properties, spin density and density of states are discussed in detail, respectively. At last, based on the same computational method, the structures, magnetic properties and density of states are systemically investigated for the 3d (V, Cr, Mn and Co) atom doped (FeC) 8 cluster.

Neutron irradiation effects in Fe and Fe-Cr at 300 °C

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

Chen, Wei-Ying; Miao, Yinbin; Gan, Jian

2016-06-01

Fe and Fe-Cr (Cr = 10–16 at.%) specimens were neutron-irradiated at 300 °C to 0.01, 0.1 and 1 dpa. The TEM observations indicated that the Cr significantly reduced the mobility of dislocation loops and suppressed vacancy clustering, leading to distinct damage microstructures between Fe and Fe-Cr. Irradiation-induced dislocation loops in Fe were heterogeneously observed in the vicinity of grown-in dislocations, whereas the loop distribution observed in Fe-Cr is much more uniform. Voids were observed in the irradiated Fe samples, but not in irradiated Fe-Cr samples. Increasing Cr content in Fe-Cr results in a higher density, and a smaller size ofmore » irradiation-induced dislocation loops. Orowan mechanism was used to correlate the observed microstructure and hardening, which showed that the hardening in Fe-Cr can be attributed to the formation of dislocation loops and α' precipitates.« less

Apolipoprotein E promotes subretinal mononuclear phagocyte survival and chronic inflammation in age-related macular degeneration.

PubMed

Levy, Olivier; Calippe, Bertrand; Lavalette, Sophie; Hu, Shulong J; Raoul, William; Dominguez, Elisa; Housset, Michael; Paques, Michel; Sahel, José-Alain; Bemelmans, Alexis-Pierre; Combadiere, Christophe; Guillonneau, Xavier; Sennlaub, Florian

2015-02-01

Physiologically, the retinal pigment epithelium (RPE) expresses immunosuppressive signals such as FAS ligand (FASL), which prevents the accumulation of leukocytes in the subretinal space. Age-related macular degeneration (AMD) is associated with a breakdown of the subretinal immunosuppressive environment and chronic accumulation of mononuclear phagocytes (MPs). We show that subretinal MPs in AMD patients accumulate on the RPE and express high levels of APOE. MPs of Cx3cr1(-/-) mice that develop MP accumulation on the RPE, photoreceptor degeneration, and increased choroidal neovascularization similarly express high levels of APOE. ApoE deletion in Cx3cr1(-/-) mice prevents pathogenic age- and stress-induced subretinal MP accumulation. We demonstrate that increased APOE levels induce IL-6 in MPs via the activation of the TLR2-CD14-dependent innate immunity receptor cluster. IL-6 in turn represses RPE FasL expression and prolongs subretinal MP survival. This mechanism may account, in part, for the MP accumulation observed in Cx3cr1(-/-) mice. Our results underline the inflammatory role of APOE in sterile inflammation in the immunosuppressive subretinal space. They provide rationale for the implication of IL-6 in AMD and open avenues toward therapies inhibiting pathogenic chronic inflammation in late AMD. © 2015 The Authors. Published under the terms of the CC BY 4.0 license.

Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments

DOE PAGES

Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; ...

2015-08-08

Using molecular dynamics simulations, we elucidate irradiation-induced point defect evolution in fcc pure Ni, Ni 0.5Fe 0.5, and Ni 0.8Cr 0.2 solid solution alloys. We find that irradiation-induced interstitials form dislocation loops that are of 1/3 <111>{111}-type, consistent with our experimental results. While the loops are formed in all the three materials, the kinetics of formation is considerably slower in NiFe and NiCr than in pure Ni, indicating that defect migration barriers and extended defect formation energies could be higher in the alloys than pure Ni. As a result, while larger size clusters are formed in pure Ni, smaller andmore » more clusters are observed in the alloys. The vacancy diffusion occurs at relatively higher temperatures than interstitials, and their clustering leads to formation of stacking fault tetrahedra, also consistent with our experiments. The results also show that the surviving Frenkel pairs are composition-dependent and are largely Ni dominated.« less

OpenCluster: A Flexible Distributed Computing Framework for Astronomical Data Processing

NASA Astrophysics Data System (ADS)

Wei, Shoulin; Wang, Feng; Deng, Hui; Liu, Cuiyin; Dai, Wei; Liang, Bo; Mei, Ying; Shi, Congming; Liu, Yingbo; Wu, Jingping

2017-02-01

The volume of data generated by modern astronomical telescopes is extremely large and rapidly growing. However, current high-performance data processing architectures/frameworks are not well suited for astronomers because of their limitations and programming difficulties. In this paper, we therefore present OpenCluster, an open-source distributed computing framework to support rapidly developing high-performance processing pipelines of astronomical big data. We first detail the OpenCluster design principles and implementations and present the APIs facilitated by the framework. We then demonstrate a case in which OpenCluster is used to resolve complex data processing problems for developing a pipeline for the Mingantu Ultrawide Spectral Radioheliograph. Finally, we present our OpenCluster performance evaluation. Overall, OpenCluster provides not only high fault tolerance and simple programming interfaces, but also a flexible means of scaling up the number of interacting entities. OpenCluster thereby provides an easily integrated distributed computing framework for quickly developing a high-performance data processing system of astronomical telescopes and for significantly reducing software development expenses.

Water–gas shift reaction over gold nanoparticles dispersed on nanostructured CeO x–TiO 2(110) surfaces: Effects of high ceria coverage

DOE PAGES

Grinter, D. C.; Park, J. B.; Agnoli, S.; ...

2016-08-01

We used scanning tunnelling microscopy to study the morphology of an overlayer of ceria in contact with a TiO 2(110) substrate. Two types of domains were observed after ceria deposition. An ordered ceria film covered half of the surface and high-resolution imaging suggested a near-c(6 × 2) relationship to the underlying TiO 2(110)-(1 × 1). For the other half of the surface, it comprised CeO x nanoparticles and reconstructed TiOx supported on TiO 2(110)-(1 × 1). Exposure to a small amount of gold resulted in the formation of isolated gold atoms and small clusters on the ordered ceria film andmore » TiO 2(110)-(1 × 1) areas, which exhibited significant sintering at 500 K and showed strong interaction between the sintered gold clusters and the domain boundaries of the ceria film. The Au/CeO x/TiO 2(110) model system proved to be a good catalyst for the water–gas shift (WGS) exhibiting much higher turnover frequencies (TOFs) than Cu(111) and Pt(111) benchmarks, or the individual Au/TiO 2(110) and Au/CeO 2(111) systems. Finally, for Au/CeO x/TiO 2(110) catalysts, there was a decrease in catalytic activity with increasing ceria coverage that correlates with a reduction in the concentration of Ce 3 + formed during WGS reaction conditions.« less

Water–gas shift reaction over gold nanoparticles dispersed on nanostructured CeO x–TiO 2(110) surfaces: Effects of high ceria coverage

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

Grinter, D. C.; Park, J. B.; Agnoli, S.

We used scanning tunnelling microscopy to study the morphology of an overlayer of ceria in contact with a TiO 2(110) substrate. Two types of domains were observed after ceria deposition. An ordered ceria film covered half of the surface and high-resolution imaging suggested a near-c(6 × 2) relationship to the underlying TiO 2(110)-(1 × 1). For the other half of the surface, it comprised CeO x nanoparticles and reconstructed TiOx supported on TiO 2(110)-(1 × 1). Exposure to a small amount of gold resulted in the formation of isolated gold atoms and small clusters on the ordered ceria film andmore » TiO 2(110)-(1 × 1) areas, which exhibited significant sintering at 500 K and showed strong interaction between the sintered gold clusters and the domain boundaries of the ceria film. The Au/CeO x/TiO 2(110) model system proved to be a good catalyst for the water–gas shift (WGS) exhibiting much higher turnover frequencies (TOFs) than Cu(111) and Pt(111) benchmarks, or the individual Au/TiO 2(110) and Au/CeO 2(111) systems. Finally, for Au/CeO x/TiO 2(110) catalysts, there was a decrease in catalytic activity with increasing ceria coverage that correlates with a reduction in the concentration of Ce 3 + formed during WGS reaction conditions.« less

Moving from Recitation to Open-Format Literature Discussion in Chinese Classrooms

ERIC Educational Resources Information Center

Cheng, Yahua; Zhang, Jie; Li, Hong; Anderson, Richard; Ding, Fengjiao; Nguyen-Jahiel, Kim; Shu, Hua; Wu, Xinchun

2015-01-01

A study involving 106 fourth graders and two teachers from a school in Beijing investigated the impact of a peer-led, open-format discussion approach, called collaborative reasoning (CR), on students' reading comprehension and teacher's professional learning. Mixed results of effects of CR on children's reading comprehension were found. After…

RNA-seq analysis identifies an intricate regulatory network controlling cluster root development in white lupin

PubMed Central

2014-01-01

Background Highly adapted plant species are able to alter their root architecture to improve nutrient uptake and thrive in environments with limited nutrient supply. Cluster roots (CRs) are specialised structures of dense lateral roots formed by several plant species for the effective mining of nutrient rich soil patches through a combination of increased surface area and exudation of carboxylates. White lupin is becoming a model-species allowing for the discovery of gene networks involved in CR development. A greater understanding of the underlying molecular mechanisms driving these developmental processes is important for the generation of smarter plants for a world with diminishing resources to improve food security. Results RNA-seq analyses for three developmental stages of the CR formed under phosphorus-limited conditions and two of non-cluster roots have been performed for white lupin. In total 133,045,174 high-quality paired-end reads were used for a de novo assembly of the root transcriptome and merged with LAGI01 (Lupinus albus gene index) to generate an improved LAGI02 with 65,097 functionally annotated contigs. This was followed by comparative gene expression analysis. We show marked differences in the transcriptional response across the various cluster root stages to adjust to phosphate limitation by increasing uptake capacity and adjusting metabolic pathways. Several transcription factors such as PLT, SCR, PHB, PHV or AUX/IAA with a known role in the control of meristem activity and developmental processes show an increased expression in the tip of the CR. Genes involved in hormonal responses (PIN, LAX, YUC) and cell cycle control (CYCA/B, CDK) are also differentially expressed. In addition, we identify primary transcripts of miRNAs with established function in the root meristem. Conclusions Our gene expression analysis shows an intricate network of transcription factors and plant hormones controlling CR initiation and formation. In addition, functional differences between the different CR developmental stages in the acclimation to phosphorus starvation have been identified. PMID:24666749

The cosmological analysis of X-ray cluster surveys. IV. Testing ASpiX with template-based cosmological simulations

NASA Astrophysics Data System (ADS)

Valotti, A.; Pierre, M.; Farahi, A.; Evrard, A.; Faccioli, L.; Sauvageot, J.-L.; Clerc, N.; Pacaud, F.

2018-06-01

Context. This paper is the fourth of a series evaluating the ASpiX cosmological method, based on X-ray diagrams, which are constructed from simple cluster observable quantities, namely: count rate (CR), hardness ratio (HR), core radius (rc), and redshift. Aims: Following extensive tests on analytical toy catalogues (Paper III), we present the results of a more realistic study over a 711 deg2 template-based maps derived from a cosmological simulation. Methods: Dark matter haloes from the Aardvark simulation have been ascribed luminosities, temperatures, and core radii, using local scaling relations and assuming self-similar evolution. The predicted X-ray sky-maps were converted into XMM event lists, using a detailed instrumental simulator. The XXL pipeline runs on the resulting sky images, produces an observed cluster catalogue over which the tests have been performed. This allowed us to investigate the relative power of various combinations of the CR, HR, rc, and redshift information. Two fitting methods were used: a traditional Markov chain Monte Carlo (MCMC) approach and a simple minimisation procedure (Amoeba) whose mean uncertainties are a posteriori evaluated by means of synthetic catalogues. The results were analysed and compared to the predictions from the Fisher analysis (FA). Results: For this particular catalogue realisation, assuming that the scaling relations are perfectly known, the CR-HR combination gives σ8 and Ωm at the 10% level, while CR-HR-rc-z improves this to ≤3%. Adding a second HR improves the results from the CR-HR1-rc combination, but to a lesser extent than when adding the redshift information. When all coefficients of the mass-temperature relation (M-T, including scatter) are also fitted, the cosmological parameters are constrained to within 5-10% and larger for the M-T coefficients (up to a factor of two for the scatter). The errors returned by the MCMC, those by Amoeba and the FA predictions are in most cases in excellent agreement and always within a factor of two. We also study the impact of the scatter of the mass-size relation (M-Rc) on the number of detected clusters: for the cluster typical sizes usually assumed, the larger the scatter, the lower the number of detected objects. Conclusions: The present study confirms and extends the trends outlined in our previous analyses, namely the power of X-ray observable diagrams to successfully and easily fit at the same time, the cosmological parameters, cluster physics, and the survey selection, by involving all detected clusters. The accuracy levels quoted should not be considered as definitive. A number of simplifying hypotheses were made for the testing purpose, but this should affect any method in the same way. The next publication will consider in greater detail the impact of cluster shapes (selection and measurements) and of cluster physics on the final error budget by means of hydrodynamical simulations.

The Preparation of an Ultrastable Mesoporous Cr(III)-MOF via Reductive Labilization

DTIC Science & Technology

2015-09-02

of metal clusters from a template MOF with a known structure. Fe(III)-MOFs can serve as practical structural templates because iron resembles chromium ...clusters in PCN-333 are able to accommodate both di- and trivalent metal ions by varying the charges of the terminal ligands, the bridging oxygen atoms, and...molecules in trivalent aqua complexes27 Inert complexes Labile complexes M(OH2) Cr(OH2)6 3+ Ir(OH2)6 3+ V(OH2)6 3+ Fe(OH2)6 3+ Ti(OH2)6 3+ k (s1) 2.4 10

Magnetism, structures and stabilities of cluster assembled TM@Si nanotubes (TM = Cr, Mn and Fe): a density functional study.

PubMed

Dhaka, Kapil; Bandyopadhyay, Debashis

2016-08-02

The present study reports transition metal (TM = Cr, Mn and Fe) doped silicon nanotubes with tunable band structures and magnetic properties by careful selection of cluster assemblies as building blocks using the first-principles density functional theory. We found that the transition metal doping and in addition, the hydrogen termination process can stabilize the pure silicon nanoclusters or cluster assemblies and then it could be extended as magnetic nanotubes with finite magnetic moments. Study of the band structures and density of states (DOS) of different empty and TM doped nanotubes (Type 1 to Type 4) show that these nanotubes are useful as metals, semiconductors, semi-metals and half-metals. These designer magnetic materials could be useful in spintronics and magnetic devices of nanoscale order.

Static force fields simulations of reduced CeO2 (110) surface: Structure and adsorption of H2O molecule

NASA Astrophysics Data System (ADS)

Vives, Serge; Meunier, Cathy

2018-02-01

The CeO2(110) surface properties are largely involved in the catalysis, energy and biological phenomenon. The Static Force Fields simulations are able to describe large atomic systems surface even if no information on the electronic structure can be obtained. We employ those simulations to study the formation of the neutral 2 CeCe‧ VO•• cluster. We focus on seven different cluster configurations and find that the defect formation energy is the lower for the 1N-2N configurations. Two geometries are possible, as it is the case for the ab initio studies, the in plane and the more stable bridging one. We evidence the modifications of the surface energy and the Potential Energy Surface due to the presence of the 2 CeCe‧ VO•• defect. The physical adsorption of a water molecule is calculated and the geometry described for all the cluster configurations. The H2O molecule physisorption stabilizes the Ce(110) surface and the presence of the 2 CeCe‧ VO•• defect increases this effect.

Socio-economic predictors of stillbirths in Nepal (2001-2011)

PubMed Central

Ghimire, Pramesh Raj; Agho, Kingsley Emwinyore; Renzaho, Andre; Christou, Aliki; Nisha, Monjura Khatun; Dibley, Michael; Raynes-Greenow, Camille

2017-01-01

Introduction Stillbirth has a long-lasting impact on parents and families. This study examined socio-economic predictors associated with stillbirth in Nepal for the year 2001, 2006 and 2011. Methods The Nepalese Demographic and Health Survey (NDHS) data for the period (2001–2011) were pooled to estimate socio-economic predictors associated with stillbirths in Nepal using binomial logistic regression while taking clustering and sampling weights into account. Results A total of 18,386 pregnancies of at least 28 weeks gestation were identified. Of these pregnancies, 335 stillbirths were reported. Stillbirth increased significantly among women that lived in the hills ecological zones (aRR 1.38, 95% CI 1.02, 1.87) or in the mountains ecological zones (aRR 1.71, 95% CI 1.10, 2.66). Women with no schooling (aRR 1.72, 95% CI 1.10, 2.69), women with primary education (aRR 1.81, 95% CI 1.11, 2.97); open defecation (aRR 1.48, 95% CI 1.00, 2.18), and those whose major occupation was agriculture (aRR 1.80, 95% CI 1.16, 2.78) are more likely to report higher stillbirth. Conclusions Low levels of education, ecological zones and open defecation were found to be strong predictors of stillbirth. Access to antenatal care services and skilled birth attendants for women in the mountainous and hilly ecological zones of Nepal is needed to further reduce stillbirth and improved services should also focus on women with low levels of education. PMID:28704548

Is Age Just a Number? Cognitive Reserve as a Predictor of Divergent Thinking in Late Adulthood

ERIC Educational Resources Information Center

Meléndez, Juan C.; Alfonso-Benlliure, Vicente; Mayordomo, Teresa; Sales, Alicia

2016-01-01

The purpose of the study was to test a model of causal relationships among cognitive reserve (CR), personality variables such as Neuroticism and Openness to experience, and divergent thinking (DT), independently evaluating performance in different domains (verbal and graphic). It was hypothesized that CR, Openness, and Neuroticism would each…

Seedlayer and underlayer effects on the crystallographic orientation and magnetic recording performance of glass media

NASA Astrophysics Data System (ADS)

Zheng, Min; Choe, Geon; Johnson, Kenneth E.

2002-05-01

Seedlayer and underlayer effects on crystallographic orientation and recording performance were studied for CoCrPtB media sputtered on glass substrates. For this study, the seedlayers are XAl (X=Ni, Co, Ti, and Ru) and the underlayers are CrY (Y=V, Mo, W, and Ti). It was found that not only different seedlayers, but also different combinations of seedlayer and underlayer, led to different magnetic performance. NiAl and CoAl seedlayers orient the Co c axis to (10.0) and TiAl and RuAl seedlayers produce (11.0) Co orientation. For the NiAl and CoAl seedlayer, CrV and CrW underlayers develop less out-of-plane c-axis orientation and higher coercivity and coercive squareness while CrTi and CrMo underlayers work better for TiAl and RuAl seedlayers, respectively. Media with RuAl seedlayers have better parametric performance than media with NiAl and CoAl seedlayers. The detailed relationship between seedlayer and underlayer types and crystal orientation and recording performance is discussed.

Point defect induced segregation of alloying solutes in α-Fe

NASA Astrophysics Data System (ADS)

You, Yu-Wei; Zhang, Yange; Li, Xiangyan; Xu, Yichun; Liu, C. S.; Chen, J. L.; Luo, G.-N.

2016-10-01

Segregation of alloying solute toward clusters and precipitates can result in hardening and embrittlement of ferritic and ferritic/martensitic steels in aging nuclear power plants. Thus, it is essential to study the segregation of solute in α-Fe. In this study, the segregation of eight kinds of alloying solutes (Al, Si, P, S, Ga, Ge, As, Se) in defect-free system and at vacancy, divacancy, and self-interstitial atom in α-Fe has been systematically studied by first-principles calculations. We find that it is energetically favorable for multiple solute S or Se atoms to segregate in defect-free system to form solute clusters, whereas it is very difficult for the other solute atoms to form the similar clusters. With the presence of vacancy and divacancy, the segregation of all the solutes are significantly promoted to form vacancy-solute and divacancy-solute clusters. The divacancy-solute cluster is more stable than the vacancy-solute cluster. The most-stable self-interstitial atom 〈110〉 dumbbell is also found to tightly bind with multiple solute atoms. The 〈110〉-S is even more stable than divacancy-S cluster. Meanwhile, the law of mass action is employed to predict the concentration evolution of vacancy-Si, vacancy-P, and vacancy-S clusters versus temperature and vacancy concentration.

Comparative RNA-sequencing of the acarbose producer Actinoplanes sp. SE50/110 cultivated in different growth media.

PubMed

Schwientek, Patrick; Wendler, Sergej; Neshat, Armin; Eirich, Christina; Rückert, Christian; Klein, Andreas; Wehmeier, Udo F; Kalinowski, Jörn; Stoye, Jens; Pühler, Alfred

2013-08-20

Actinoplanes sp. SE50/110 is known as the producer of the alpha-glucosidase inhibitor acarbose, a potent drug in the treatment of type-2 diabetes mellitus. We conducted the first whole transcriptome analysis of Actinoplanes sp. SE50/110, using RNA-sequencing technology for comparative gene expression studies between cells grown in maltose minimal medium, maltose minimal medium with trace elements, and glucose complex medium. We first studied the behavior of Actinoplanes sp. SE50/110 cultivations in these three media and found that the different media had significant impact on growth rate and in particular on acarbose production. It was demonstrated that Actinoplanes sp. SE50/110 grew well in all three media, but acarbose biosynthesis was only observed in cultures grown in maltose minimal medium with and without trace elements. When comparing the expression profiles between the maltose minimal media with and without trace elements, only few significantly differentially expressed genes were found, which mainly code for uptake systems of metal ions provided in the trace element solution. In contrast, the comparison of expression profiles from maltose minimal medium and glucose complex medium revealed a large number of differentially expressed genes, of which the most conspicuous genes account for iron storage and uptake. Furthermore, the acarbose gene cluster was found to be highly expressed in maltose-containing media and almost silent in the glucose-containing medium. In addition, a putative antibiotic biosynthesis gene cluster was found to be similarly expressed as the acarbose cluster. Copyright © 2012 Elsevier B.V. All rights reserved.

EPR and optical investigations of LaMgAl{sub 11}O{sub 19}:Cr{sup 3+} phosphor

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

Singh, Vijay, E-mail: vijayjiin2006@yahoo.com; Sivaramaiah, G.; Rao, J.L.

2014-12-15

Graphical abstract: The EPR spectrum of as-prepared LaMgAl{sub 11}O{sub 19}:Cr{sup 3+} phosphor at 110 K. - Highlights: • Using the combustion synthesis, LaMgAl{sub 11}O{sub 19}:Cr{sup 3+} phosphor has been prepared in a few minutes. • Optical investigation indicates that Cr{sup 3+} ions are present in octahedral symmetry. • The EPR signals indicate that exchange coupled Cr{sup 3+}–Cr{sup 3+} ion pairs in weakly distorted sites. - Abstract: The LaMgAl{sub 11}O{sub 19}:Cr{sup 3+} phosphor has been prepared by a low-temperature combustion synthesis method. As-prepared combustion synthesized powder was characterized using powder X-ray diffraction (XRD), diffuse reflectance (DRS), electron paramagnetic resonance (EPR) andmore » photoluminescence (PL) studies. The X-ray diffraction pattern reveals crystalline hexagonal phases. The UV–vis diffuse reflectance spectrum exhibits three broad bands characteristic of Cr{sup 3+} ions in octahedral symmetry. The EPR spectrum exhibits several resonance signals. The signals with the effective g values at g = 4.84, 3.64 and 2.26 have been attributed to the isolated Cr{sup 3+} ions. The signal with the effective g value at g = 1.94 has been attributed to exchange coupled Cr{sup 3+}–Cr{sup 3+} ion pairs. The PL studies exhibit several bands characteristic of Cr{sup 3+} ions in octahedral symmetry.« less

Kilohertz Cr:forsterite regenerative amplifier.

PubMed

Evans, J M; Petri Evi, V; Alfano, R R; Fu, Q

1998-11-01

We report on a tunable regenerative amplifier that is operational in the near-infrared spectral region from 1230 to 1280 nm based on the vibronic laser material Cr:forsterite. Utilizing the technique of chirped-pulse amplification, we generated pulses as short as 150 fs at 1255 nm at a repetition rate of 1 kHz. Pulse amplification of more than 5 x 10(5) times was observed, with recorded output pulse energies of 34 muJ . Implementation of a second-harmonic generator yielded 110-fs-duration pulses of 7-muJ energy at 625 nm.

> 6 MW peak power at 532 nm from passively Q-switched Nd:YAG/Cr4+:YAG microchip laser.

PubMed

Bhandari, Rakesh; Taira, Takunori

2011-09-26

Megawatt peak power, giant pulse microchip lasers are attractive for wavelength conversion, provided their output is linearly polarized. We use a [110] cut Cr(4+):YAG for passively Q-switched Nd:YAG microchip laser to obtain a stable, linearly polarized output. Further, we optimize the conditions for second harmonic generation at 532 nm wavelength to achieve > 6 MW peak power, 1.7 mJ, 265 ps, 100 Hz pulses with a conversion efficiency of 85%. © 2011 Optical Society of America

A Preliminary Appraisal of Offstream Reservoir Sites for Meeting Water Storage Requirements in the Upper Snake River Basin.

DTIC Science & Technology

1981-02-01

510 20.0 78 Bitch Creek Teton R., Bitch Cr. 475 11.0 180 U~pper Badger Creek Teton R., Badger Cr. 440 6.0 84 Ashton Dam Enlargement Henrys Fork Snake R...Lake Offstream Reservoir Site ( Teton River Drainage). Twin Falls Canal power release back into the Snake River downstream from Milner Dam . 3. The...Release at Milner Dam on the Snake River for Possible Power Development . . . 24 9. Nomograph Used in Estimating Conveyance Components of Cost . 32 10

Preparation and characterization of α-Al2O3 film by low temperature thermal oxidation of Al8Cr5 coating

NASA Astrophysics Data System (ADS)

Zhang, Min; Xu, Bajin; Ling, Guoping

2015-03-01

In this paper, α-Al2O3 film was prepared by low temperature thermal oxidation of Al8Cr5 coating. The Al8Cr5 alloy coating was prepared on SUS430 stainless steel through a two-step approach including electrodepositing Cr/Al composite coating and subsequent heat treatment at 740 °C for 16 h. After mechanical polishing removal of voids on the surface, the Al8Cr5 coating was thermal oxidized at 720 °C in argon for 100 h. The samples were characterized by SEM, EDX, XRD, XPS and TEM. XPS detection on the surface of oxidized Al8Cr5 coating showed that the oxide film mainly consisted of Al2O3. TEM characterization of the oxide film showed that it was α-Al2O3 films ca. 110 nm. The formation of α-Al2O3 films at low temperature can be attributed to the formation of Cr2O3 nuclei at the initial stage of oxidation which lowers the nucleation energy barrier of α-Al2O3.

Impact of nucleation of carbonaceous clusters on structural, electrical and optical properties of Cr+-implanted PMMA

NASA Astrophysics Data System (ADS)

Arif, Shafaq; Rafique, M. Shahid; Saleemi, Farhat; Naab, Fabian; Toader, Ovidiu; Mahmood, Arshad; Aziz, Uzma

2016-09-01

Specimens of polymethylmethacrylate (PMMA) have been implanted with 400 keV Cr+ ions at different ion fluences ranging from 5 × 1013 to 5 × 1015 ions/cm2. The possible chemical reactions involved in the nucleation of conjugated carbonaceous clusters in implanted PMMA are discussed. Furthermore, impact of formation of carbonaceous clusters on structural, optical, electrical and morphological properties of implanted PMMA has been examined. The structural modifications in implanted PMMA are observed by Raman spectroscopy. The variation in optical band gap and Urbach energy is measured using UV-visible spectroscopic analysis. The effects of Cr+ ion implantation on electrical and morphological properties are investigated by four-probe apparatus and atomic force microscopy, respectively. The Raman spectroscopic analysis confirmed the formation of carbonaceous clusters with the transformation of implanted layer of PMMA into amorphous carbon. Simultaneously, the optical band gap of implanted PMMA has reduced from 3.13 to 0.85 eV. The increase in Urbach energy favors the decline in band gap together with the structural modification in implanted PMMA. As a result of Cr+ ion implantation, the electrical conductivity of PMMA has improved from 2.14 ± 0.06 × 10-10 S/cm (pristine) to 7.20 ± 0.36 × 10-6 S/cm. The AFM images revealed a decrease in surface roughness with an increment in ion fluence up to 5 × 1014 ions/cm2. The modification in the electrical, optical and structural properties makes the PMMA a promising candidate for its future utilization, as a semiconducting and optically active material, in various fields like plastic electronics and optoelectronic devices.

Analysis of the local structure around Cr3+ centers in perovskite KMgF3 using both ab initio (DFT) and semi-empirical (SPM) calculations

NASA Astrophysics Data System (ADS)

Emül, Y.; Erbahar, D.; Açıkgöz, M.

2014-11-01

The local structure around Cr3+ centers in perovskite KMgF3 crystal have been investigated through the applications of both an ab-initio, density functional theory (DFT), and a semi empirical, superposition model (SPM), analyses. A supercell approach is used for DFT calculations. All the tetragonal (Cr3+-VMg and Cr3+-Li+), trigonal (Cr3+-VK), and CrF5O cluster centers have been considered with various structural models based on the previously suggested experimental inferences. The significant structural changes around the Cr3+ centers induced by Mg2+ or K+ vacancies and the Li substitution at those vacancy sites have been determined and discussed by means of charge distribution. This study provides insight on both the roles of Mg2+ and K+ vacancies and Li+ ion in the local structural properties around Cr3+ centers in KMgF3.

[Clinical analysis of 25 patients with aggressive peripheral T-cell lymphoma in advanced stage treated with autologous stem cell transplantation].

PubMed

Zou, Dehui; Huang, Wenyang; Liu, Hong; Fu, Mingwei; Li, Zengjun; Sui, Weiwei; Qi, Junyuan; Zhao, Yaozhong; Ru, Kun; Han, Mingzhe; Qiu, Lugui

2015-06-01

To investigate the outcomes of autologous stem cell transplantation (ASCT) for patients with aggressive peripheral T-cell lymphoma (PTCLs) in advanced stage. The clinical data of 25 patients in complete remission (CR) with aggressive PTCLs received ASCT from May 1997 to June 2013 were retrospectively analyzed. ① Of the 25 cases, 16 were unspecified PTCL (PTCL-U), 4 with angioimmunoblastic T cell lymphoma (AITL), 3 with anaplastic large cell lymphoma (ALCL) and 2 with hepatosplenic T cell lymphoma (HSTL), with a median age of 30(12-54) years old. Ratio of male to female is 16∶9. The distribution of stages was 8 cases with stage Ⅲ and 17 patients with stage Ⅳ. Nine patients presented with bone marrow involvement. Before ASCT, 18 patients were in CR1 and 7 patients were in CR2. ②Two patients with HSTL in stage ⅣB and IPI score 4/5 in CR1 relapsed and died within 12 months after ASCT. At a median follow-up of 38 (range 14-110) months, the estimated 3-year probability of PFS and OS for the other 23 patients was (63.1 ± 10.5)% and (71.8 ± 9.9)%, respectively. The patients in first CR had a better survival than the patients in second CR. The 3-year probability of PFS were (74.9 ± 11.0)% vs (33.3 ± 19.2)% (P=0.092) and OS were (80.2 ± 10.4)% vs (50.0 ± 20.4)% (P=0.043), respectively. The 3-year probability of PFS and OS were (40.0 ± 17.4)% and (53.3 ± 17.3)% in bone marrow involvement patients and the corresponding figure were (77.9 ± 11.3)% and (84.4 ± 10.2)% in non- bone marrow involvement patients. ASCT could improve the survival of aggressive PTCLs. Non CR1 status and bone marrow involvement had negative influence on OS in patients with aggressive PTCLs treated by ASCT. The prognosis was very poor in patients with HSTL and satisfactory regimens should be investigated.

Selective and sensitive speciation analysis of Cr(VI) and Cr(III), at sub-μgL-1 levels in water samples by electrothermal atomic absorption spectrometry after electromembrane extraction.

PubMed

Tahmasebi, Zeinab; Davarani, Saied Saeed Hosseiny

2016-12-01

In this work, electromembrane extraction in combination with electrothermal atomic absorption spectrometry (ET-AAS) was investigated for speciation, preconcentration and quantification of Cr(VI) and Cr(III) in water samples through the selective complexation of Cr(VI) with 1,5-diphenylcarbazide (DPC) as a complexing agent. DPC reduces Cr(VI) to Cr(III) ions and then Cr(III) species are extracted based on electrokinetic migration of their cationic complex (Cr(III)-DPC) toward the negative electrode placed in the hollow fiber. Also, once oxidized to Cr(VI), Cr(III) ions in initial sample were determined by this procedure. The influence of extraction parameters such as pH, type of organic solvent, chelating agent concentration, stirring rate, extraction time and applied voltage were evaluated following a one-at-a-time optimization approach. Under optimized conditions, the extracted analyte was quantified by ETAAS, with an acceptable linearity in the range of 0.05-5ngmL -1 (R 2 value=0.996), and a repeatability (%RSD) between 3.7% and 12.2% (n=4) for 5.0 and 1.0ngmL -1 of Cr(VI), respectively. Also, we obtained an enrichment factor of 110 that corresponded to the recovery of 66%. The detection limit (S/N ratio of 3:1) was 0.02ngmL -1 . Finally, this new method was successfully employed to determine Cr(III) and Cr(VI) species in real water samples. Copyright © 2016. Published by Elsevier B.V.

Formation of Ultrafine Metal Particles by Gas-Evaporation VI. Bcc Metals, Fe, V, Nb, Ta, Cr, Mo and W

NASA Astrophysics Data System (ADS)

Saito, Yahachi; Mihama, Kazuhiro; Uyeda, Ryozi

1980-09-01

The crystal structures and habits of bcc metal particles have been investigated systematically by electron microscopy. The habits for the bcc structure are rhombic dodecahedra truncated by six {100} faces with various degrees of truncation from 0 to 100%. The truncation degree for Fe and V particles grown in the intermediate zone of a metal smoke is in good agreement with that for the Wulff polyhedron expected from the surface energies calculated for {110} and {100} faces. Particles of Cr, Mo and W have the A-15 type structure besides the ordinary bcc structure. The present results support the hypothesis that the A-15 type structure is stable when the particle size is small. The habits for the A-15 type structure are rhombic dodecahedra (Cr), {211} icositetrahedra (Cr and Mo) and rounded cubes (Mo and W).

Vacancy-induced spin-glass behavior of Prussian blue analogue Fe II1.1Cr IIx[Cr III (CN) 6] 0.6- x· nH 2O nanowires

NASA Astrophysics Data System (ADS)

Gao, Bo; Yao, Jinli; Xue, Desheng

2010-09-01

Prussian blue analogue Fe II1.1Cr IIx[Cr III(CN) 6] 0.6- x· nH 2O nanowires were synthesized by electrodeposition. The magnetic properties investigation indicates that the nanowires exhibit cluster spin-glass behavior, which undergoes a magnetic transition to a frozen state below about 62 K. Spin disorder arising from reduced coordination and broken exchange bonds between spin centers due to the structural defects may be the reason that causes the spin-glass freezing behavior. The negative magnetization observed at temperature lower than the compensation temperature ( Tcomp˜43 K) at a field of 10 Oe may be due to the different temperature dependences of the ferromagnetic site Fe-Cr and antiferromagnetic site Cr-Cr.

Structure and energetics of Cr(CO)6 and Cr(CO)5

NASA Technical Reports Server (NTRS)

Barnes, Leslie A.; Liu, Bowen; Lindh, Roland

1993-01-01

The geometric structures and energetics of Cr(CO)6 and Cr(CO)5 are determined at the modified coupled-pair functional, single and double excitation coupled-cluster (CCSD), and CCSD(T) levels of theory. For Cr(CO)6, the structure and force constants for the totally symmetric representation are in good agreement with experimental data once basis set constants are taken into account. In the largest basis set at the CCSD(T) level of theory, the total binding energy of CR(CO)6 is estimated at around 140 kcal/mol, or about 86 percent of the experimental value. In contrast, the first bond energy of Cr(CO)6 is very well described at the CCSD(T) level of theory, with the best estimated value of 38 kcal/mol being within the experimental uncertainty.

Search for Cosmic-Ray-Induced Gamma-Ray Emission in Galaxy Clusters

NASA Technical Reports Server (NTRS)

Ackermann, M.; Ajello, M.; Albert, A.; Allafort, A.; Atwood, W. B.; Baldini, L.; Ballet, J.; Barbiellini, G.; Bastieri, D.; Bechtol, K.;

Source Evaluation and Trace Metal Contamination in Benthic Sediments from Equatorial Ecosystems Using Multivariate Statistical Techniques

PubMed Central

Benson, Nsikak U.; Asuquo, Francis E.; Williams, Akan B.; Essien, Joseph P.; Ekong, Cyril I.; Akpabio, Otobong; Olajire, Abaas A.

2016-01-01

Trace metals (Cd, Cr, Cu, Ni and Pb) concentrations in benthic sediments were analyzed through multi-step fractionation scheme to assess the levels and sources of contamination in estuarine, riverine and freshwater ecosystems in Niger Delta (Nigeria). The degree of contamination was assessed using the individual contamination factors (ICF) and global contamination factor (GCF). Multivariate statistical approaches including principal component analysis (PCA), cluster analysis and correlation test were employed to evaluate the interrelationships and associated sources of contamination. The spatial distribution of metal concentrations followed the pattern Pb>Cu>Cr>Cd>Ni. Ecological risk index by ICF showed significant potential mobility and bioavailability for Cu, Cu and Ni. The ICF contamination trend in the benthic sediments at all studied sites was Cu>Cr>Ni>Cd>Pb. The principal component and agglomerative clustering analyses indicate that trace metals contamination in the ecosystems was influenced by multiple pollution sources. PMID:27257934

Improving guideline concordance in multidisciplinary teams: preliminary results of a cluster-randomized trial evaluating the effect of a web-based audit and feedback intervention with outreach visits

PubMed Central

van Engen-Verheul, Mariëtte M.; Gude, Wouter T.; van der Veer, Sabine N.; Kemps, Hareld M.C.; Jaspers, Monique M.W.; de Keizer, Nicolette F.; Peek, Niels

2015-01-01

Despite their widespread use, audit and feedback (A&F) interventions show variable effectiveness on improving professional performance. Based on known facilitators of successful A&F interventions, we developed a web-based A&F intervention with indicator-based performance feedback, benchmark information, action planning and outreach visits. The goal of the intervention was to engage with multidisciplinary teams to overcome barriers to guideline concordance and to improve overall team performance in the field of cardiac rehabilitation (CR). To assess its effectiveness we conducted a cluster-randomized trial in 18 CR clinics (14,847 patients) already working with computerized decision support (CDS). Our preliminary results showed no increase in concordance with guideline recommendations regarding prescription of CR therapies. Future analyses will investigate whether our intervention did improve team performance on other quality indicators. PMID:26958310

Potential of transition metal atoms embedded in buckled monolayer g-C3N4 as single-atom catalysts.

PubMed

Li, Shu-Long; Yin, Hui; Kan, Xiang; Gan, Li-Yong; Schwingenschlögl, Udo; Zhao, Yong

2017-11-15

We use first-principles calculations to systematically explore the potential of transition metal atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) embedded in buckled monolayer g-C 3 N 4 as single-atom catalysts. We show that clustering of Sc and Ti on g-C 3 N 4 is thermodynamically impeded and that V, Cr, Mn, and Cu are much less susceptible to clustering than the other TM atoms under investigation. Strong bonding of the transition metal atoms in the cavities of g-C 3 N 4 and high diffusion barriers together are responsible for single-atom fixation. Analysis of the CO oxidation process indicates that embedding of Cr and Mn in g-C 3 N 4 gives rise to promising single-atom catalysts at low temperature.

Level crossings and zero-field splitting in the {Cr8}-cubane spin cluster studied using inelastic neutron scattering and magnetization

NASA Astrophysics Data System (ADS)

Vaknin, D.; Garlea, V. O.; Demmel, F.; Mamontov, E.; Nojiri, H.; Martin, C.; Chiorescu, I.; Qiu, Y.; Kögerler, P.; Fielden, J.; Engelhardt, L.; Rainey, C.; Luban, M.

2010-11-01

Inelastic neutron scattering (INS) in variable magnetic field and high-field magnetization measurements in the millikelvin temperature range were performed to gain insight into the low-energy magnetic excitation spectrum and the field-induced level crossings in the molecular spin cluster {Cr8}-cubane. These complementary techniques provide consistent estimates of the lowest level-crossing field. The overall features of the experimental data are explained using an isotropic Heisenberg model, based on three distinct exchange interactions linking the eight CrIII paramagnetic centers (spins s = 3/2), that is supplemented with a relatively large molecular magnetic anisotropy term for the lowest S = 1 multiplet. It is noted that the existence of the anisotropy is clearly evident from the magnetic field dependence of the excitations in the INS measurements, while the magnetization measurements are not sensitive to its effects.

Level crossings and zero-field splitting in the {Cr8}-cubane spin-cluster studied using inelastic neutron scattering and magnetization

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

Vaknin, D.; Garlea, Vasile O; Demmel, F.

Inelastic neutron scattering (INS) in variable magnetic field and high-field magnetization measurements in the millikelvin temperature range were performed to gain insight into the low-energy magnetic excitation spectrum and the field-induced level crossings in the molecular spin cluster {Cr8}-cubane. These complementary techniques provide consistent estimates of the lowest level-crossing field. The overall features of the experimental data are explained using an isotropic Heisenberg model, based on three distinct exchange interactions linking the eight CrIII paramagnetic centers (spins s = 3/2), that is supplemented with a relatively large molecular magnetic anisotropy term for the lowest S = 1 multiplet. It ismore » noted that the existence of the anisotropy is clearly evident from the magnetic field dependence of the excitations in the INS measurements, while the magnetization measurements are not sensitive to its effects.« less

Open star clusters and Galactic structure

NASA Astrophysics Data System (ADS)

Joshi, Yogesh C.

2018-04-01

In order to understand the Galactic structure, we perform a statistical analysis of the distribution of various cluster parameters based on an almost complete sample of Galactic open clusters yet available. The geometrical and physical characteristics of a large number of open clusters given in the MWSC catalogue are used to study the spatial distribution of clusters in the Galaxy and determine the scale height, solar offset, local mass density and distribution of reddening material in the solar neighbourhood. We also explored the mass-radius and mass-age relations in the Galactic open star clusters. We find that the estimated parameters of the Galactic disk are largely influenced by the choice of cluster sample.

Long-term osseointegration of 3D printed CoCr constructs with an interconnected open-pore architecture prepared by electron beam melting.

PubMed

Shah, Furqan A; Omar, Omar; Suska, Felicia; Snis, Anders; Matic, Aleksandar; Emanuelsson, Lena; Norlindh, Birgitta; Lausmaa, Jukka; Thomsen, Peter; Palmquist, Anders

2016-05-01

In orthopaedic surgery, cobalt chromium (CoCr) based alloys are used extensively for their high strength and wear properties, but with concerns over stress shielding and bone resorption due to the high stiffness of CoCr. The structural stiffness, principally related to the bulk and the elastic modulus of the material, may be lowered by appropriate design modifications, to reduce the stiffness mismatch between metal/alloy implants and the adjacent bone. Here, 3D printed CoCr and Ti6Al4V implants of similar macro-geometry and interconnected open-pore architecture prepared by electron beam melting (EBM) were evaluated following 26week implantation in adult sheep femora. Despite higher total bone-implant contact for Ti6Al4V (39±4%) than CoCr (27±4%), bone formation patterns were similar, e.g., densification around the implant, and gradual ingrowth into the porous network, with more bone in the outer half (periphery) than the inner half (centre). Raman spectroscopy revealed no major differences in mineral crystallinity, the apatite-to-collagen ratio, or the carbonate-to-phosphate ratio. Energy dispersive X-ray spectroscopy showed similar Ca/P ratio of the interfacial tissue adjacent to both materials. Osteocytes made direct contact with CoCr and Ti6Al4V. While osteocyte density and distribution in the new-formed bone were largely similar for the two alloys, higher osteocyte density was observed at the periphery of the porous network for CoCr, attributable to slower remodelling and a different biomechanical environment. The results demonstrate the possibility to achieve bone ingrowth into open-pore CoCr constructs, and attest to the potential for fabricating customised osseointegrated CoCr implants for load-bearing applications. Although cobalt chromium (CoCr) based alloys are used extensively in orthopaedic surgery, stress shielding due to the high stiffness of CoCr is of concern. To reduce the stiffness mismatch between CoCr and bone, CoCr and Ti6Al4V implants having an interconnected open-pore architecture were prepared by electron beam melting (EBM). After six months of submerged healing in sheep, both alloys showed similar patterns of bone formation, with densification around the implant and gradual ingrowth into the porous network. The molecular and elemental composition of the interfacial tissue was similar for both alloys. Osteocytes made direct contact with both alloys, with similar overall osteocyte density and distribution. The work attests to the potential for achieving osseointegration of EBM manufactured porous CoCr implants. Copyright © 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Nonthermal emission from clusters of galaxies

NASA Astrophysics Data System (ADS)

Kushnir, Doron; Waxman, Eli

2009-08-01

We show that the spectral and radial distribution of the nonthermal emission of massive, M gtrsim 1014.5Msun, galaxy clusters may be approximately described by simple analytic expressions, which depend on the cluster thermal X-ray properties and on two model parameter, βcore and ηe. βcore is the ratio of the cosmic-ray (CR) energy density (within a logarithmic CR energy interval) and the thermal energy density at the cluster core, and ηe(p) is the fraction of the thermal energy generated in strong collisionless shocks, which is deposited in CR electrons (protons). Using a simple analytic model for the evolution of intra-cluster medium CRs, which are produced by accretion shocks, we find that βcore simeq ηp/200, nearly independent of cluster mass and with a scatter Δln βcore simeq 1 between clusters of given mass. We show that the hard X-ray (HXR) and γ-ray luminosities produced by inverse Compton scattering of CMB photons by electrons accelerated in accretion shocks (primary electrons) exceed the luminosities produced by secondary particles (generated in hadronic interactions within the cluster) by factors simeq 500(ηe/ηp)(T/10 keV)-1/2 and simeq 150(ηe/ηp)(T/10 keV)-1/2 respectively, where T is the cluster temperature. Secondary particle emission may dominate at the radio and very high energy (gtrsim 1 TeV) γ-ray bands. Our model predicts, in contrast with some earlier work, that the HXR and γ-ray emission from clusters of galaxies are extended, since the emission is dominated at these energies by primary (rather than by secondary) electrons. Our predictions are consistent with the observed nonthermal emission of the Coma cluster for ηp ~ ηe ~ 0.1. The implications of our predictions to future HXR observations (e.g. by NuStar, Simbol-X) and to (space/ground based) γ-ray observations (e.g. by Fermi, HESS, MAGIC, VERITAS) are discussed. In particular, we identify the clusters which are the best candidates for detection in γ-rays. Finally, we show that our model's results agree with results of detailed numerical calculations, and that discrepancies between the results of various numerical simulations (and between such results and our model) are due to inaccuracies in the numerical calculations.

Deprotonated Water Dimers: The Building Blocks of Segmented Water Chains on Rutile RuO2(110)

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

Mu, Rentao; Cantu Cantu, David; Glezakou, Vassiliki Alexandra

2015-10-15

Despite the importance of RuO2 in photocatalytic water splitting and catalysis in general, the interactions of water with even its most stable (110) surface are not well-understood. In this study we employ a combination of high-resolution scanning tunneling microscopy imaging with density functional theory based ab initio molecular dynamics, and we follow the formation and binding of linear water clusters on coordinatively unsaturated ruthenium rows. We find that clusters of all sizes (dimers, trimers, tetramers, extended chains) are stabilized by donating one proton per every two water molecules to the surface bridge bonded oxygen sites, in contrast with water monomersmore » that do not show a significant propensity for dissociation. The clusters with odd number of water molecules are less stable than the clusters with even number, and are generally not observed under thermal equilibrium. For all clusters with even numbers, the dissociated dimers represent the fundamental building blocks with strong intra-dimer hydrogen bonds and only very weak inter-dimer interactions resulting in segmented water chains.« less

Phylogeography of the Koala, (Phascolarctos cinereus), and Harmonising Data to Inform Conservation

PubMed Central

Neaves, Linda E.; Frankham, Greta J.; Dennison, Siobhan; FitzGibbon, Sean; Flannagan, Cheyne; Gillett, Amber; Hynes, Emily; Handasyde, Kathrine; Helgen, Kristofer M.; Tsangaras, Kyriakos; Greenwood, Alex D.; Eldridge, Mark D. B.; Johnson, Rebecca N.

2016-01-01

The Australian continent exhibits complex biogeographic patterns but studies of the impacts of Pleistocene climatic oscillation on the mesic environments of the Southern Hemisphere are limited. The koala (Phascolarctos cinereus), one of Australia’s most iconic species, was historically widely distributed throughout much of eastern Australia but currently represents a complex conservation challenge. To better understand the challenges to koala genetic health, we assessed the phylogeographic history of the koala. Variation in the maternally inherited mitochondrial DNA (mtDNA) Control Region (CR) was examined in 662 koalas sampled throughout their distribution. In addition, koala CR haplotypes accessioned to Genbank were evaluated and consolidated. A total of 53 unique CR haplotypes have been isolated from koalas to date (including 15 haplotypes novel to this study). The relationships among koala CR haplotypes were indicative of a single Evolutionary Significant Unit and do not support the recognition of subspecies, but were separated into four weakly differentiated lineages which correspond to three geographic clusters: a central lineage, a southern lineage and two northern lineages co-occurring north of Brisbane. The three geographic clusters were separated by known Pleistocene biogeographic barriers: the Brisbane River Valley and Clarence River Valley, although there was evidence of mixing amongst clusters. While there is evidence for historical connectivity, current koala populations exhibit greater structure, suggesting habitat fragmentation may have restricted female-mediated gene flow. Since mtDNA data informs conservation planning, we provide a summary of existing CR haplotypes, standardise nomenclature and make recommendations for future studies to harmonise existing datasets. This holistic approach is critical to ensuring management is effective and small scale local population studies can be integrated into a wider species context. PMID:27588685

Effect of NiFeCr seed and capping layers on exchange bias and planar Hall voltage response of NiFe/Au/IrMn trilayer structures

NASA Astrophysics Data System (ADS)

Talantsev, Artem; Elzwawy, Amir; Kim, CheolGi

2018-05-01

Thin films and cross junctions, based on NiFe/Au/IrMn structures, were grown on Ta and NiFeCr seed layers by magnetron sputtering. The effects of substitution of Ta with NiFeCr in seed and capping layers on an exchange bias field are studied. A threefold improvement of the exchange bias value in the structures, grown with NiFeCr seed and capping layers, is demonstrated. The reasons for this effect are discussed. Formation of clusters in the NiFeCr capping layer is proved by atomic force microscopy technique. Ta replacement on NiFeCr in the capping layer results in the enhancement of magnetoresistive response and a reduction of noise.

Membership determination of open clusters based on a spectral clustering method

NASA Astrophysics Data System (ADS)

Gao, Xin-Hua

2018-06-01

We present a spectral clustering (SC) method aimed at segregating reliable members of open clusters in multi-dimensional space. The SC method is a non-parametric clustering technique that performs cluster division using eigenvectors of the similarity matrix; no prior knowledge of the clusters is required. This method is more flexible in dealing with multi-dimensional data compared to other methods of membership determination. We use this method to segregate the cluster members of five open clusters (Hyades, Coma Ber, Pleiades, Praesepe, and NGC 188) in five-dimensional space; fairly clean cluster members are obtained. We find that the SC method can capture a small number of cluster members (weak signal) from a large number of field stars (heavy noise). Based on these cluster members, we compute the mean proper motions and distances for the Hyades, Coma Ber, Pleiades, and Praesepe clusters, and our results are in general quite consistent with the results derived by other authors. The test results indicate that the SC method is highly suitable for segregating cluster members of open clusters based on high-precision multi-dimensional astrometric data such as Gaia data.

The WIYN Open Cluster Study: A 15-Year Report

NASA Astrophysics Data System (ADS)

Mathieu, Robert D.; WOCS Collaboration

2013-06-01

The WIYN 3.5m telescope combines large aperture, wide field of view and superb image quality. The WIYN consortium includes investigators in numerous areas of open cluster research. The combination spawned the WIYN Open Cluster Study (WOCS) over a decade ago, with the goals of producing 1) comprehensive photometric, astrometric and spectroscopic data for new fundamental open clusters and 2) addressing key astrophysical problems with these data. The set of core WOCS open clusters spans age and metallicity. Low reddening, solar proximity and richness were also desirable features in selecting core open clusters. More than 50 WIYN Open Cluster Study papers have been published in refereed journals. Highlights include: deep and wide-field photometry of NGC 188, NGC 2168 (M35), and NGC 6819 (WOCS I, II, XI and LII); deep and wide-field proper-motion studies of the old open clusters NGC 188, NGC 2682 (M67) and NGC 6791 (WOCS XVII, XXXIII and XLVI); comprehensive radial-velocity surveys of NGC 188, NGC 2168 and NGC 6819 (WOCS XXXII, XXIV, and XXXVIII); metallicity and lithium abundances in NGC 2168 (WOCS V); comprehensive definition of the hard-binary populations of NGC 188 and NGC 2168 (WOCS XXII and XLVIII); rotation period distributions in NGC 1039 (M34) and NGC 2168 (WOCS XXXV, XLIII, and XLV); study of chromospheric activity in NGC 2682 (WOCS XVIII); photometric variability surveys in NGC 188 and NGC 2682 (IX and XV); new Bayesian techniques for determination of cluster parameters (WOCS XXIII); a new infrared age-diagnostic for open clusters (WOCS XL); theoretical studies of stellar rotation (WOCS XIII and XIV); sophisticated N-body simulations of NGC 188 (WOCS LI); and the discovery of a high binary frequency and white dwarf companions among NGC 188 blue stragglers. While the WIYN 3.5m telescope remains at its heart, today the WIYN Open Cluster Study collaboration extends beyond both the WIYN observatory and consortium, and continues as a vital and productive exploration into these fundamental stellar systems. Publication list can be found at http://www.astro.ufl.edu ata/wocs/pubs.html. The WIYN Open Cluster Study has been continuously supported by grants from the National Science Foundation.

Open-Cellular Co-Base and Ni-Base Superalloys Fabricated by Electron Beam Melting

PubMed Central

Murr, Lawrence; Li, Shujun; Tian, Yuxing; Amato, Krista; Martinez, Edwin; Medina, Frank

2011-01-01

Reticulated mesh samples of Co-29Cr-6Mo alloy and Ni-21Cr-9Mo-4Nb alloy (625) and stochastic foam samples of Co-29Cr-6Mo alloy fabricated by electron beam melting were characterized by optical metallography, and the dynamic stiffness (Young’s modulus) was measured by resonant frequency analysis. The relative stiffness (E/Es) versus relative density (ρ/ρs) plotted on a log-log basis resulted in a fitted straight line with a slope n ≅ 2, consistent with that for ideal open cellular materials. PMID:28879949

Theoretical explanation of spin-Hamiltonian parameters and local structure for the orthorhombic MnO2 -4 clusters in K2CrO4 : Mn6 + crystal

NASA Astrophysics Data System (ADS)

Wang, Ning; Xie, Linhua

2017-12-01

In this paper, the spin-Hamiltonian parameters (g factors gx, gy, gz and hyperfine structure constants A Ax, Ay, Az) and the absorption spectrum of K2CrO4 : Mn6 + crystal are theoretically explained by using the high-order perturbation theory, the double-spin-orbit-coupling model theory and the double-mechanism theory (the crystal field mechanism and the charge-transfer (CT) mechanism). The calculation results show that the contribution of the CT mechanism cannot be neglected for Mn6 + ions in orthorhombic clusters with the ground state ?.

Targeted replacement: systematic studies of dodecanuclear {MLn} coordination clusters (M = Cr, Co; Ln = Dy, Y).

PubMed

Chen, Sihuai; Mereacre, Valeriu; Zhao, Zhiying; Zhang, Wanwan; Zhang, Mengsi; He, Zhangzhen

2018-06-05

Three dodecanuclear 3d-4f coordination clusters, [CrIII6LnIII6(μ3-OH)8(tbdea)6(C6H5COO)16]·2H2O (Ln = Dy (1), Y (2)) and [CoIII6DyIII6(μ3-OH)8(nbdea)6(m-CH3C6H4COO)16]·2H2O·2CH3CN (3), have been synthesized under solvothermal conditions and characterized. Single-crystal X-ray diffraction analysis revealed that all three compounds possess an analogous {MIII6LnIII6} core (M = Cr, Co; Ln = Dy, Y) and dc magnetic susceptibility studies indicated that the magnetic exchange couplings between DyIII ions are dominant antiferromagnetic, while the CrIII-DyIII interactions are weakly ferromagnetic. Furthermore, the ac magnetic susceptibility measurements showed that both CrIII6DyIII6 compound 1 and CoIIi6DyIII6 compound 3 containing highly anisotropic DyIII ions displayed single-molecule magnetic (SMM) behavior with the energy barrier Ueff increasing from 12.8 K (for 1) to 20.8 K (for 3), indicating that weak 3d-4f exchange couplings enhance the QTM and reduce the energy barrier.

Dislocation loops in ultra-high purity Fe(Cr) alloys after 7.2 MeV proton irradiation

NASA Astrophysics Data System (ADS)

Chen, J.; Duval, F.; Jung, P.; Schäublin, R.; Gao, N.; Barthe, M. F.

2018-05-01

Ultra-high purity Fe(Cr) alloys (from 0 wt% Cr to 14 wt% Cr) were 3D homogeneously irradiated by 0-7.2 MeV protons to 0.3 dpa at nominal temperatures from 270 °C to 500 °C. Microstructural changes were observed by transmission electron microscopy (TEM). The results showed that evolution of dislocation loops depends on the Cr content. Below 300 °C, large ½ a0 <111> loops are dominating. Above 300 °C, a0 <100> loops with a habit plane {100} appear. Loop sizes of both types are more or less the same. At temperatures from 310 °C to 400 °C, a0 <100> loops form clusters with the same {100} habit plane as the one of the loops forming them. This indicates that <100> loops of the same variant start gliding under mutual elastic interaction. At 500 °C, dislocation loops form disc shaped clusters about 1000 nm in diameter and sitting on {111} and/or {100} planes in the pure Fe samples. Based on these observations a quantitative analysis of the dislocation loops configurations and their temperature dependence is made, leading to an understanding of the basic mechanisms of formation of these loops.

Preparation and Oxidation Performance of Y and Ce-Modified Cr Coating on open-cell Ni-Cr-Fe Alloy Foam by the Pack Cementation

NASA Astrophysics Data System (ADS)

Pang, Q.; Hu, Z. L.; Wu, G. H.

2016-12-01

Metallic foams with a high fraction of porosity, low density and high-energy absorption capacity are a rapidly emerging class of novel ultralight weight materials for various engineering applications. In this study, Y-Cr and Ce-Cr-coated Ni-Cr-Fe alloy foams were prepared via the pack cementation method, and the effects of Y and Ce addition on the coating microstructure and oxidation performance were analyzed in order to improve the oxidation resistance of open-cell nickel-based alloy foams. The results show that the Ce-Cr coating is relatively more uniform and has a denser distribution on the surface of the nickel-based alloy foam. The surface grains of the Ce-Cr-coated alloy foam are finer compared to those of the Y-Cr-coated alloy foam. An obvious Ce peak appears on the interface between the coating and the alloy foam strut, which gives rise to a "site-blocking" effect for the short-circuit transport of the cation in the substrate. X-ray diffraction analysis shows that the Y-Cr-coated alloy foam mainly consists of Cr, (Fe, Ni) and (Ni, Cr) phases in the surface layer. The Ce-Cr-coated alloy foam is mainly composed of Cr and (Ni, Cr) phases. Furthermore, the addition of Y and Ce clearly lead to an improvement in the oxidation resistance of the coated alloy foams in the temperature range of 900-1000 °C. The addition of Ce is especially effective in enhancing the diffusion of chromium to the oxidation front, thus, accelerating the formation of a Cr2O3 layer.

Spatial distribution and expression of intracellular and extracellular acid phosphatases of cluster roots at different developmental stages in white lupin.

PubMed

Tang, Hongliang; Li, Xiaoqing; Zu, Chao; Zhang, Fusuo; Shen, Jianbo

2013-09-15

Acid phosphatases (APases) play a key role in phosphorus (P) acquisition and recycling in plants. White lupin (Lupinus albus L.) forms cluster roots (CRs) and produces large amounts of APases under P deficiency. However, the relationships between the activity of intracellular and extracellular APases (EC 3.1.3.2) and CR development are not fully understood. Here, comparative studies were conducted to examine the spatial variation pattern of APase activity during CR development using the enzyme-labelled fluorescence-97 (ELF-97) and the p-nitrophenyl phosphate methods. The activity of intracellular and extracellular APases was significantly enhanced under P deficiency in the non-CRs and CRs at different developmental stages. These two APases exhibited different spatial distribution patterns during CR development, and these distribution patterns were highly modified by P deficiency. The activity of extracellular APase increased steadily with CR development from meristematic, juvenile, mature to senescent stages under P deficiency. In comparison, P deficiency-induced increase in the activity of intracellular APase remained relatively constant during CR development. Increased activity of intracellular and extracellular APases was associated with enhanced expression of LaSAP1 encoding intracellular APase and LaSAP2 encoding extracellular APase. The expression levels of these two genes were significantly higher at transcriptional level in both mature and senescent CRs. Taken together, these findings demonstrate that both activity and gene expression of intracellular or extracellular APases exhibit a differential response pattern during CR development, depending on root types, CR developmental stages and P supply. Simultaneous in situ determination of intracellular and extracellular APase activity has proved to be an effective approach for studying spatial variation of APases during CR development. Copyright © 2013 Elsevier GmbH. All rights reserved.

The functional connectome of cognitive reserve

PubMed Central

Marques, Paulo; Moreira, Pedro; Magalhães, Ricardo; Costa, Patrício; Santos, Nadine; Zihl, Josef; Soares, José

2016-01-01

Abstract Cognitive Reserve (CR) designates the brain's capacity to actively cope with insults through a more efficient use of its resources/networks. It was proposed in order to explain the discrepancies between the observed cognitive ability and the expected capacity for an individual. Typical proxies of CR include education and Intelligence Quotient but none totally account for the variability of CR and no study has shown if the brain's greater efficiency associated with CR can be measured. We used a validated model to estimate CR from the residual variance in memory and general executive functioning, accounting for both brain anatomical (i.e., gray matter and white matter signal abnormalities volume) and demographic variables (i.e., years of formal education and sex). Functional connectivity (FC) networks and topological properties were explored for associations with CR. Demographic characteristics, mainly accounted by years of formal education, were associated with higher FC, clustering, local efficiency and strength in parietal and occipital regions and greater network transitivity. Higher CR was associated with a greater FC, local efficiency and clustering of occipital regions, strength and centrality of the inferior temporal gyrus and higher global efficiency. Altogether, these findings suggest that education may facilitate the brain's ability to form segregated functional groups, reinforcing the view that higher education level triggers more specialized use of neural processing. Additionally, this study demonstrated for the first time that CR is associated with more efficient processing of information in the human brain and reinforces the existence of a fine balance between segregation and integration. Hum Brain Mapp 37:3310–3322, 2016.. © 2016 The Authors Human Brain Mapping Published by Wiley Periodicals, Inc. PMID:27144904

A low maternal protein diet during pregnancy and lactation has sex- and window of exposure-specific effects on offspring growth and food intake, glucose metabolism and serum leptin in the rat

PubMed Central

Zambrano, E; Bautista, C J; Deás, M; Martínez-Samayoa, P M; González-Zamorano, M; Ledesma, H; Morales, J; Larrea, F; Nathanielsz, P W

2006-01-01

Extensive epidemiological and experimental evidence indicates that a sub-optimal environment during fetal and neonatal development in both humans and animals may programme offspring susceptibility to later development of chronic diseases including obesity and diabetes that are the result of altered carbohydrate metabolism. We determined the effects of protein restriction during pregnancy and/or lactation on growth, serum leptin, and glucose and insulin responses to a glucose tolerance test in male and female offspring at 110 days postnatal life. We fed Wistar rats a normal control 20% casein diet (C) or a restricted diet (R) of 10% casein during pregnancy. Female but not male R pups weighed less than C at birth. After delivery, mothers received the C or R diet during lactation to provide four offspring groups: CC (first letter maternal pregnancy diet and second maternal lactation diet), RR, CR and RC. All offspring were fed ad libitum with C diet after weaning. Relative food intake correlated inversely with weight. Offspring serum leptin correlated with body weight and relative, but not absolute, food intake in both male and female pups. Serum leptin was reduced in RR female pups compared with CC and increased in RC males compared with CC at 110 days of age. Offspring underwent a glucose tolerance test (GTT) at 110 days postnatal life. Female RR and CR offspring showed a lower insulin to glucose ratio than CC. At 110 days of age male RR and CR also showed some evidence of increased insulin sensitivity. Male but not female RC offspring showed evidence of insulin resistance compared with CC. Cholesterol was similar and triglycerides (TG) higher in male compared with female CC. Cholesterol and TG were higher in males than females in RR, CR and RC (P < 0.05). Cholesterol and TG did not differ between groups in females. Cholesterol and TG were elevated in RC compared with CC males. Nutrient restriction in lactation increased relative whole protein and decreased whole lipid in both males and females. RC females showed decreased relative levels of protein and increased fat. We conclude that maternal protein restriction during either pregnancy and/or lactation alters postnatal growth, appetitive behaviour, leptin physiology, TG and cholesterol concentrations and modifies glucose metabolism and insulin resistance in a sex- and time window of exposure-specific manner. PMID:16339179

Calorie restriction inhibits relapse behaviour and preference for alcohol within a two-bottle free choice paradigm in the alcohol preferring (iP) rat.

PubMed

Guccione, Lisa; Djouma, Elvan; Penman, Jim; Paolini, Antonio G

2013-02-17

Among its many beneficial effects, calorie restriction (CR) has also been found to reduce anxiety related behavior in the rodent. With heightened levels of stress and anxiety implicated as a key precipitating factor of relapse and alcohol addiction, it was found that a 25% CR in addition to inducing anxiolytic effects also had the capacity to reduce intake of alcohol and inhibit relapse within a model of operant self-administration. The aim of this study was to investigate if a 25% CR would also display similar effects in a two-bottle free choice paradigm, whereby 24 h ad libitum access to both 10% ethanol and water is provided. All animals were initially tested on the elevated plus maze (EPM) and open field test prior to commencing the two-bottle free choice paradigm. Differences between control and CR25% animals demonstrated the anxiolytic effects of CR, with the CR25% group displaying greater percentage of open arm/total arm duration and open arm/total arm entries in the EPM. During the acquisition phase of the two-bottle free choice paradigm, CR25% animals showed a reduced intake of 10% ethanol in ml/kg, in comparison to the control group. Whilst control animals displayed a strong preference for 10% ethanol, the CR25% group consumed both 10% ethanol and water equally with no differences found in total fluid intake between groups. Similarly this was also the case following forced deprivation. In addition to reduced intake and lack of preference for 10% ethanol, CR 25% animals unlike controls failed to display a typical alcohol deprivation effect following abstinence. Taken collectively the results of this study suggest that CR may act as a protective factor against addiction and relapse in the alcohol preferring (iP) rat. In addition, given CR25% animals did not display a preference for 10% ethanol, results also suggest that CR may be altering the hedonic impact of ethanol within this group. Copyright © 2012 Elsevier Inc. All rights reserved.

Synthesis and characterization of transition metal clusters: From the isolation of ligand-stabilized solid fragments to the tuning of magnetic anisotropy and host-guest selectivity, and, Approaches to science teaching: Development of an observation instrument with a measurement model based on item response theory

NASA Astrophysics Data System (ADS)

Hee, Allan George

Part I. The work presented herein describes efforts to develop general techniques for the synthesis of transition metal clusters and the manipulation of their properties. In Chapter 2, it is demonstrated that a modified metal atom reactor allows for the vaporization, passivation, and isolation of metal-chalcogenide clusters from their parent binary solids. Among the clusters produced by this method were Cr6S8(PEt3)6, Fe4S 4(PEt3)4, Co6S8(PEt 3)6, Cu6S4(PEt3)6, Cu12S6(PEt3)8, and Cu26Se 13(PEt3)14. To create single-molecule magnets with higher demagnetization barriers, we are developing metal-cyanide systems which exhibit highly adjustable magnetic behavior. Chapter 3 reports an attempt to introduce magnetic anisotropy into a MnCr6 cluster. Replacement of CrIII with Mo III resulted in the assembly of K[(Me3tacn)6MnMo 6(CN)18](ClO4)3 (Me3tacn = N,N',N″ -trimethyl-1,4,7-triazacyclononane)---the first well-documented example of a cyano-bridged single-molecule magnet. Recently, it was demonstrated that replacing Me3tacn with the less sterically hindering tach (tach = cis,cis-1,3,5-triaminocyclohexane) in the face-centered cubic cluster [(tach)8Cr8Ni 6(CN)24]Br12 provides greater access to the cluster cavity. Chapter 4 describes my efforts to probe the selectivity of this cluster toward inclusion of various guests. Part II. Successful implementation of student-centered curricula reforms requires the creation of a measurement instrument for monitoring whether the curricula are being used as intended. The creation and development of an observation instrument would greatly contribute to this effort. To develop a theoretically sound construct map, it is necessary to review the literature and conduct our own investigations of approaches to science teaching. Chapter 2 presents the findings of these investigations and their contributions to our understanding of the construct. Using these findings, the Science Teaching Observation Protocol (STOP) was created and designed to measure two subconstructs: intentions and strategies. Chapter 3 details the first pilot test of STOP and analysis of the collected data. In Chapter 4, the theoretical shortcomings of the instrument are analyzed and discussed. Modified versions of the intention and strategy subconstruct maps are presented.

Clustering of gold particles in Au implanted CrN thin films: The effect on the SPR peak position

NASA Astrophysics Data System (ADS)

Novaković, M.; Popović, M.; Schmidt, E.; Mitrić, M.; Bibić, N.; Rakočević, Z.; Ronning, C.

2017-12-01

We report on the formation of gold particles in 280 nm thin polycrystalline CrN layers caused by Au+ ion implantation. The CrN layers were deposited at 150 °C by d.c. reactive sputtering on Si(100) wafers and then implanted at room temperature with 150 keV Au+ ions to fluences of 2 × 1016 cm-2 to 4.1 × 1016 cm-2. The implanted layers were analysed by the means of Rutherford backscattering spectrometry, X-ray diffraction, atomic force microscopy and spectroscopic ellipsometry measurements. The results revealed that the Au atoms are situated in the near-surface region of the implanted CrN layers. At the fluence of 2 × 1016 cm-2 the formation of Au particles of ∼200 nm in diameter has been observed. With increasing Au ion fluence the particles coalesce into clusters with dimensions of ∼1.7 μm. The synthesized particles show a strong absorption peak associated with the excitation of surface plasmon resonances (SPR). The position of the SPR peak shifted in the range of 426.8-690.5 nm when the Au+ ion fluence was varied from 2 × 1016 cm-2 to 4.1 × 1016 cm-2. A correlation of the shift in the peak wavelength caused by the change in the particles size and clustering has been revealed, suggesting that the interaction between Au particles dominate the surface plasmon resonance effect.

Experience with a System for Manual Clustering of Air Surveillance Track Data

DTIC Science & Technology

2013-06-01

galette bretonne of French cuisine . UNCLASSIFIED 2 UNCLASSIFIED DSTO-GD-0749 h) Implement clustering similarity functions for external quality...singular блин (blin)]: thin Russian pancakes similar in consistency to the French crêpe but made with eggless yeast-risen batter, and often served with

Controlled release levodopa/carbidopa (Sinemet CR4) in Parkinson's disease--an open evaluation of efficacy and safety.

PubMed

Bulling, M T; Wing, L M; Burns, R J

1991-08-01

Twenty patients with moderately severe Parkinson's disease entered an open study of the efficacy and safety of a slow release preparation containing levodopa 200 mg and carbidopa 50 mg per tablet ('Sinemet CR4'). Following an initial four week baseline stabilisation period on conventional 'Sinemet' tablets, the patients were transferred to 'Sinemet CR4' and observed at intervals over the next 12 months. Fifteen patients completed the full year observation period. When compared with the baseline period, treatment with 'Sinemet CR4' was associated with longer periods of functional improvement and less fluctuation of response following each dose. The median (range) dose frequency was reduced from three (three-12) to two (two-seven) times daily (p less than 0.001) on 'Sinemet CR4' although median (range) total daily dose of levodopa was increased from 700 (375-2525) to 800 (400-2800) mg without any increase in adverse effects. Three patients developed peripheral neuropathy while receiving Sinemet CR4, but the association with this therapy is unclear. Overall 'Sinemet CR4' allowed a longer dosage interval and provided more stable control of disease manifestations than conventional 'Sinemet'.

The Peculiarities in O-Type Galaxy Clusters

NASA Astrophysics Data System (ADS)

Panko, E. A.; Emelyanov, S. I.

We present the results of analysis of 2D distribution of galaxies in galaxy cluster fields. The Catalogue of Galaxy Clusters and Groups PF (Panko & Flin) was used as input observational data set. We selected open rich PF galaxy clusters, containing 100 and more galaxies for our study. According to Panko classification scheme open galaxy clusters (O-type) have no concentration to the cluster center. The data set contains both pure O-type clusters and O-type clusters with overdence belts, namely OL and OF types. According to Rood & Sastry and Struble & Rood ideas, the open galaxy clusters are the beginning stage of cluster evolution. We found in the O-type clusters some types of statistically significant regular peculiarities, such as two crossed belts or curved strip. We suppose founded features connected with galaxy clusters evolution and the distribution of DM inside the clusters.

Comprehensive proteome analysis of Actinoplanes sp. SE50/110 highlighting the location of proteins encoded by the acarbose and the pyochelin biosynthesis gene cluster.

PubMed

Wendler, Sergej; Otto, Andreas; Ortseifen, Vera; Bonn, Florian; Neshat, Armin; Schneiker-Bekel, Susanne; Walter, Frederik; Wolf, Timo; Zemke, Till; Wehmeier, Udo F; Hecker, Michael; Kalinowski, Jörn; Becher, Dörte; Pühler, Alfred

2015-07-01

Acarbose is an α-glucosidase inhibitor produced by Actinoplanes sp. SE50/110 that is medically important due to its application in the treatment of type2 diabetes. In this work, a comprehensive proteome analysis of Actinoplanes sp. SE50/110 was carried out to determine the location of proteins of the acarbose (acb) and the putative pyochelin (pch) biosynthesis gene cluster. Therefore, a comprehensive state-of-the-art proteomics approach combining subcellular fractionation, shotgun proteomics and spectral counting to assess the relative abundance of proteins within fractions was applied. The analysis of four different proteome fractions (cytosolic, enriched membrane, membrane shaving and extracellular fraction) resulted in the identification of 1582 of the 8270 predicted proteins. All 22 Acb-proteins and 21 of the 23 Pch-proteins were detected. Predicted membrane-associated, integral membrane or extracellular proteins of the pch and the acb gene cluster were found among the most abundant proteins in corresponding fractions. Intracellular biosynthetic proteins of both gene clusters were not only detected in the cytosolic, but also in the enriched membrane fraction, indicating that the biosynthesis of acarbose and putative pyochelin metabolites takes place at the inner membrane. Actinoplanes sp. SE50/110 is a natural producer of the α-glucosidase inhibitor acarbose, a bacterial secondary metabolite that is used as a drug for the treatment of type 2 diabetes, a disease which is a global pandemic that currently affects 387 million people and accounts for 11% of worldwide healthcare expenditures (www.idf.org). The work presented here is the first comprehensive investigation of protein localization and abundance in Actinoplanes sp. SE50/110 and provides an extensive source of information for the selection of genes for future mutational analysis and other hypothesis driven experiments. The conclusion that acarbose or pyochelin family siderophores are synthesized at the inner side of the cytoplasmic membrane determined from this work, indicates that studying corresponding intermediates will be challenging. In addition to previous studies on the genome and transcriptome, the work presented here demonstrates that the next omic level, the proteome, is now accessible for detailed physiological analysis of Actinoplanes sp. SE50/110, as well as mutants derived from this and related species. Copyright © 2015 Elsevier B.V. All rights reserved.

Trace element geochemistry and mineralogy of coal from Samaleswari open cast coal block (S-OCB), Eastern India

NASA Astrophysics Data System (ADS)

Saha, Debasree; Chatterjee, Debashis; Chakravarty, Sanchita; Mazumder, Madhurina

2018-04-01

Coal samples of Samaleswari open cast coal block (S-OCB) are high ash (Aad, mean value 35.43%) and low sulphur content (St, on dry basis, mean value 0.91% < 1%) in quality. The stratigraphic variation of volatile matter and fixed carbon (dry ash-free) reflect a progress of coal metamorphism with depth that accordance to the coal rank variation from lignite to high volatile bituminous in the studied borehole. The younger coal seams have greater detrital minerals (quartz, illite, rutile) influence whereas older coal seams have greater authigenic mineral (kaolinite, dolomite, siderite, apatite) contribution that are possibly due to subsidence and sediment transportation. In S-OCB coal trace elements affinities in-between mineral and organic fraction are identified with statistical hierarchical cluster analysis. The work is further supported by the use of chemical fractionation experiment that reveals the multi mode of occurrence of several environmentally concern and interested trace elements (Sb, As, Be, Cd, Cr, Co, Cu, Pb, Mn, Ni, Zn). Among the analysed trace elements Co, Mn and Zn have major silicate association along with significant carbonate/oxide/monosulfide association. Whereas As, Cd, Cu, Pb and Ni have dominant pyritic association with notable silicate and carbonate/oxide/monosulfide association. The rest three elements (Sb, Be, Cr) have principally organic association with minor silicate and carbonate/oxide/monosulfide association. The stratigraphic variation of organo-mineral matrix content and detrital-authigenic mineral ratio are primarily related to coal rank. Geochemical character of coal also reflects a light towards proper utilisation of S-OCB coal from technical and environmental view point.

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

Panagiotakis, I.; Dermatas, D.; Vatseris, C.

We conducted a forensic investigation with the aim of decoupling the contribution of geogenic and anthropogenic Cr(VI) sources in the wider area of Thiva. Groundwater and topsoil samples were collected from two Cr(VI) groundwater plumes of 160 μg/L and 75 μg/L. A series of evidence support the view that the origin of Cr(VI) detected in groundwater is mainly geogenic. These are: (a) the presence of Cr in topsoil of the wider area, (b) the moderate Cr(VI) groundwater concentrations, (c) the high Ni levels within the Cr(VI) plumes, (d) the predominance of Mn(IV), which is a prerequisite for Cr(III) oxidation tomore » Cr(VI), and (e) the absence of co-contaminants. This study also revealed that, although both Cr(VI) plumes are clearly of geogenic origin, the plume with the elevated Cr(VI) values, in the north of Thiva town, exhibits also an anthropogenic component, which can potentially be attributed to the alkaline environment associated with the old uncontrolled landfill of Thiva and the industrial cluster located in this area.« less

Catalog of open clusters and associated interstellar matter

NASA Technical Reports Server (NTRS)

Leisawitz, David

1988-01-01

The Catalog of Open Clusters and Associated Interstellar Matter summarizes observations of 128 open clusters and their associated ionized, atomic, and molecular iinterstellar matter. Cluster sizes, distances, radial velocities, ages, and masses, and the radial velocities and masses of associated interstellar medium components, are given. The database contains information from approximately 400 references published in the scientific literature before 1988.

The same frequency of planets inside and outside open clusters of stars.

PubMed

Meibom, Søren; Torres, Guillermo; Fressin, Francois; Latham, David W; Rowe, Jason F; Ciardi, David R; Bryson, Steven T; Rogers, Leslie A; Henze, Christopher E; Janes, Kenneth; Barnes, Sydney A; Marcy, Geoffrey W; Isaacson, Howard; Fischer, Debra A; Howell, Steve B; Horch, Elliott P; Jenkins, Jon M; Schuler, Simon C; Crepp, Justin

2013-07-04

Most stars and their planets form in open clusters. Over 95 per cent of such clusters have stellar densities too low (less than a hundred stars per cubic parsec) to withstand internal and external dynamical stresses and fall apart within a few hundred million years. Older open clusters have survived by virtue of being richer and denser in stars (1,000 to 10,000 per cubic parsec) when they formed. Such clusters represent a stellar environment very different from the birthplace of the Sun and other planet-hosting field stars. So far more than 800 planets have been found around Sun-like stars in the field. The field planets are usually the size of Neptune or smaller. In contrast, only four planets have been found orbiting stars in open clusters, all with masses similar to or greater than that of Jupiter. Here we report observations of the transits of two Sun-like stars by planets smaller than Neptune in the billion-year-old open cluster NGC6811. This demonstrates that small planets can form and survive in a dense cluster environment, and implies that the frequency and properties of planets in open clusters are consistent with those of planets around field stars in the Galaxy.

Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

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

Hu, Lin; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu; Hammond, Karl D.

We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (He{sub n}, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes ofmore » helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He{sub 4} and He{sub 5} clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.« less

Mechanisms and rates of proton transfer to coordinated carboxydithioates: studies on [Ni(S2CR){PhP(CH2CH2PPh2)2}](+) (R = Me, Et, Bu(n) or Ph).

PubMed

Alwaaly, Ahmed; Clegg, William; Henderson, Richard A; Probert, Michael R; Waddell, Paul G

2015-02-21

The complexes [Ni(S2CR)(triphos)]BPh4 (R = Me, Et, Bu(n) or Ph; triphos = PhP{CH2CH2PPh2}2) have been prepared and characterised. X-ray crystallography (for R = Et, Ph, C6H4Me-4, C6H4OMe-4 and C6H4Cl-4) shows that the geometry of the five-coordinate nickel in the cation is best described as distorted trigonal bipyramidal, containing a bidentate carboxydithioate ligand with the two sulfur atoms spanning axial and equatorial sites, the other axial site being occupied by the central phosphorus of triphos. The reactions of [Ni(S2CR)(triphos)](+) with mixtures of HCl and Cl(-) in MeCN to form equilibrium solutions containing [Ni(SH(S)CR)(triphos)](2+) have been studied using stopped-flow spectrophotometry. The kinetics show that proton transfer is slower than the diffusion-controlled limit and involves at least two coupled equilibria. The first step involves the rapid association between [Ni(S2CR)(triphos)](+) and HCl to form the hydrogen-bonded precursor, {[Ni(S2CR)(triphos)](+)HCl} (K) and this is followed by the intramolecular proton transfer (k) to produce [Ni(SH(S)CR)(triphos)](2+). In the reaction of [Ni(S2CMe)(triphos)](+) the rate law is consistent with the carboxydithioate ligand undergoing chelate ring-opening after protonation. It seems likely that chelate ring-opening occurs for all [Ni(S2CR)(triphos)](+), but only with [Ni(S2CMe)(triphos)](+) is the protonation step sufficiently fast that chelate ring-opening is rate-limiting. With all other systems, proton transfer is rate-limiting. DFT calculations indicate that protonation can occur at either sulfur atom, but only protonation at the equatorial sulfur results in chelate ring-opening. The ways in which protonation of either sulfur atom complicates the analyses and interpretation of the kinetics are discussed.

Performance enhancement of a web-based picture archiving and communication system using commercial off-the-shelf server clusters.

PubMed

Liu, Yan-Lin; Shih, Cheng-Ting; Chang, Yuan-Jen; Chang, Shu-Jun; Wu, Jay

2014-01-01

The rapid development of picture archiving and communication systems (PACSs) thoroughly changes the way of medical informatics communication and management. However, as the scale of a hospital's operations increases, the large amount of digital images transferred in the network inevitably decreases system efficiency. In this study, a server cluster consisting of two server nodes was constructed. Network load balancing (NLB), distributed file system (DFS), and structured query language (SQL) duplication services were installed. A total of 1 to 16 workstations were used to transfer computed radiography (CR), computed tomography (CT), and magnetic resonance (MR) images simultaneously to simulate the clinical situation. The average transmission rate (ATR) was analyzed between the cluster and noncluster servers. In the download scenario, the ATRs of CR, CT, and MR images increased by 44.3%, 56.6%, and 100.9%, respectively, when using the server cluster, whereas the ATRs increased by 23.0%, 39.2%, and 24.9% in the upload scenario. In the mix scenario, the transmission performance increased by 45.2% when using eight computer units. The fault tolerance mechanisms of the server cluster maintained the system availability and image integrity. The server cluster can improve the transmission efficiency while maintaining high reliability and continuous availability in a healthcare environment.

Performance Enhancement of a Web-Based Picture Archiving and Communication System Using Commercial Off-the-Shelf Server Clusters

PubMed Central

Chang, Shu-Jun; Wu, Jay

2014-01-01

The rapid development of picture archiving and communication systems (PACSs) thoroughly changes the way of medical informatics communication and management. However, as the scale of a hospital's operations increases, the large amount of digital images transferred in the network inevitably decreases system efficiency. In this study, a server cluster consisting of two server nodes was constructed. Network load balancing (NLB), distributed file system (DFS), and structured query language (SQL) duplication services were installed. A total of 1 to 16 workstations were used to transfer computed radiography (CR), computed tomography (CT), and magnetic resonance (MR) images simultaneously to simulate the clinical situation. The average transmission rate (ATR) was analyzed between the cluster and noncluster servers. In the download scenario, the ATRs of CR, CT, and MR images increased by 44.3%, 56.6%, and 100.9%, respectively, when using the server cluster, whereas the ATRs increased by 23.0%, 39.2%, and 24.9% in the upload scenario. In the mix scenario, the transmission performance increased by 45.2% when using eight computer units. The fault tolerance mechanisms of the server cluster maintained the system availability and image integrity. The server cluster can improve the transmission efficiency while maintaining high reliability and continuous availability in a healthcare environment. PMID:24701580

Electrodeposition and characterization of NiCr alloy nanowires

NASA Astrophysics Data System (ADS)

Maleki, K.; Alemipour, Z.

2017-06-01

The NiCr alloy nanowires were electrodeposited from an acidic sulphate baths into nanoporous anodized aluminume oxide (AAO). This template was fabricated by two-step anodization. The NiCr alloy nanowires were synthesized for Cr content up to 0.32% without any significant improvement in magnetic properties. Above this threshold, Cr clusters were formed and magnetic properties were decreased significantly. For Cr content of higher than 2.1% the wires were formed so short and incomplete which were like the nanoparticles. X-ray diffraction patterns revealed changing in the FCC crystal structure of Ni nanowires to an amorphous phase by increasing the Cr content. This leads to a significant decline in the magnetic properties like coercivity and squareness. The effect of thermal annealing on the magnetic properties of the NiCr alloy nanowires, showed that the squareness and the coercivity were improved by enhancing the amount of the temperature to 300 °C and were decreased by enhancing that to 500 °C.

Predictions of Gamma-ray Emission from Globular Cluster Millisecond Pulsars Above 100 MeV

NASA Technical Reports Server (NTRS)

Venter, C.; de Jaker, O.C.; Clapson, A.C.

2009-01-01

The recent Fermi detection of the globular cluster (GC) 47 Tucanae highlighted the importance of modeling collective gamma-ray emission of millisecond pulsars (MSPs) in GCs. Steady flux from such populations is also expected in the very high energy (VHE) domain covered by ground-based Cherenkov telescopes. We present pulsed curvature radiation (CR) as well as unpulsed inverse Compton (IC) calculations for an ensemble of MSPs in the GCs 47 Tucanae and Terzan 5. We demonstrate that the CR from these GCs should be easily detectable for Fermi, while constraints on the total number of MSps and the nebular B-field may be derived using the IC flux components.

Properties of Merger Shocks in Merging Galaxy Clusters

NASA Astrophysics Data System (ADS)

Ha, Ji-Hoon; Ryu, Dongsu; Kang, Hyesung

2018-04-01

X-ray shocks and radio relics detected in the cluster outskirts are commonly interpreted as shocks induced by mergers of subclumps. We study the properties of merger shocks in merging galaxy clusters, using a set of cosmological simulations for the large-scale structure formation of the universe. As a representative case, we focus on the simulated clusters that undergo almost head-on collisions with mass ratio ∼2. Due to the turbulent nature of the intracluster medium, shock surfaces are not smooth, but composed of shocks with different Mach numbers. As the merger shocks expand outward from the core to the outskirts, the average Mach number, < {M}s> , increases in time. We suggest that the shocks propagating along the merger axis could be manifested as X-ray shocks and/or radio relics. The kinetic energy through the shocks, F ϕ , peaks at ∼1 Gyr after their initial launching, or at ∼1–2 Mpc from the core. Because of the Mach number dependent model adopted here for the cosmic-ray (CR) acceleration efficiency, their CR-energy-weighted Mach number is higher with < {M}s{> }CR}∼ 3{--}4, compared to the kinetic-energy-weighted Mach number, < {M}s{> }φ ∼ 2{--}3. Most energetic shocks are to be found ahead of the lighter dark matter (DM) clump, while the heavier DM clump is located on the opposite side of clusters. Although our study is limited to the merger case considered, the results such as the means and variations of shock properties and their time evolution could be compared with the observed characteristics of merger shocks, constraining interpretations of relevant observations.

A 110-ms pulsar, with negative period derivative, in the globular cluster M15

NASA Technical Reports Server (NTRS)

Wolszczan, A.; Kulkarni, S. R.; Middleditch, J.; Backer, D. C.; Fruchter, A. S.; Dewey, R. J.

1989-01-01

The discovery of a 110-ms pulsar, PSR2127+11, in the globular cluster M15, is reported. The results of nine months of timing measurements place the new pulsar about 2 arcsec from the center of the cluster, and indicate that it is not a member of a close binary system. The measured negative value of the period derivative is probably the result of the pulsar being bodily accelerated in our direction by the gravitational field of the collapsed core of M15. This apparently overwhelms a positive contribution to the period derivative due to magnetic braking. Although the pulsar has an unexpectedly long period, it is argued that it belongs to the class of 'recycled' pulsars, which have been spun up by accretion in a binary system. The subsequent loss of the pulsar's companion is probably due to disruption of the system by close encounters with other stars.

Electronic structure calculations on multiply charged anions containing M bond S bonds (M = Cr, Mo, W) and their heterobimetallic cluster complexes

NASA Astrophysics Data System (ADS)

Gili, Pedro; Tsipis, Athanassios C.

Molecular and electronic structures of multiply charged mononuclear [CrS4]2-/3-, [MoOxS4-x]2-/3- (x = 0-4) and [WS4]2-/3- anionic species, and their heterobimetallic dinuclear and trinuclear clusters formulated as [MoOS3(CuCl)]2-, [WOS3(CuCl)]2-, [MoS4{Cu(CN)}]2-, [(CN)Cu(?-CrS4)Cu(CN)]2-, [(CN)Cu(?-MoS4)Cu(CN)]2-, [ClCu(?-MoS4)CuCl]2-, [Cl2Fe(?-MoS4)CuCl2]2-, and [(CN)Cu(?-WS4)Cu(CN)]2- have been investigated using electronic structure calculation (HF, MP4SDQ and DFT) methods. For the discrete mononuclear anions HF/lanl2dz(M)?6-31+G*(S,O) method provided the best description of their molecular structures, while for the heterobimetallic dinuclear and trinuclear clusters the B3LYP/lanl2dz(M)?6-31+G* method gave equilibrium geometries closely resembling the experimental ones. Electronic and spectroscopic (IR, UV-Vis) properties of the thiometalates are discussed in relation to their structures, while the bonding mechanism was analyzed in the framework of the natural bond orbital (NBO) approach. The nature of the highest occupied molecular orbitals (HOMOs) of all thiometalates indicated their ability to act as ligands coordinated with metal centers and forming clusters of higher nuclearity. The lowest-lying vertical one-electron detachment processes from the ground state of the [CrS4]2/3-, [MoOxS4-x]2/3- (x = 0-4) and [WS4]2/3- anions have been calculated using the outer valence Green's function (OVGF) method. Interestingly, in the heterobimetallic dinuclear and trinuclear clusters intemetallic M?M? interactions exist corresponding to d10 ? d0 dative bonding. Finally, the complete energetic and geometric profile of the successive acid-catalyzed formation reactions:and the reverse hydrolysis reactions have been delineated and details of the mechanism have been furnished.

Multivariate analysis of selected metals in tannery effluents and related soil.

PubMed

Tariq, Saadia R; Shah, Munir H; Shaheen, N; Khalique, A; Manzoor, S; Jaffar, M

2005-06-30

Effluent and relevant soil samples from 38 tanning units housed in Kasur, Pakistan, were obtained for metal analysis by flame atomic absorption spectrophotometric method. The levels of 12 metals, Na, Ca, K, Mg, Fe, Mn, Cr, Co, Cd, Ni, Pb and Zn were determined in the two media. The data were evaluated towards metal distribution and metal-to-metal correlations. The study evidenced enhanced levels of Cr (391, 16.7 mg/L) and Na (25,519, 9369 mg/L) in tannery effluents and relevant soil samples, respectively. The effluent versus soil trace metal content relationship confirmed that the effluent Cr was strongly correlated with soil Cr. For metal source identification the techniques of principal component analysis, and cluster analysis were applied. The principal component analysis yielded two factors for effluents: factor 1 (49.6% variance) showed significant loading for Ca, Fe, Mn, Cr, Cd, Ni, Pb and Zn, referring to a tanning related source for these metals, and factor 2 (12.6% variance) with higher loadings of Na, K, Mg and Co, was associated with the processes during the skin/hide treatment. Similarly, two factors with a cumulative variance of 34.8% were obtained for soil samples: factor 1 manifested the contribution from Mg, Mn, Co, Cd, Ni and Pb, which though soil-based is basically effluent-derived, while factor 2 was found associated with Na, K, Ca, Cr and Zn which referred to a tannery-based source. The dendograms obtained from cluster analysis, also support the observed results. The study exhibits a gross pollution of soils with Cr at levels far exceeding the stipulated safe limit laid down for tannery effluents.

An Active Immune Defense with a Minimal CRISPR (Clustered Regularly Interspaced Short Palindromic Repeats) RNA and without the Cas6 Protein*

PubMed Central

Maier, Lisa-Katharina; Stachler, Aris-Edda; Saunders, Sita J.; Backofen, Rolf; Marchfelder, Anita

2015-01-01

The prokaryotic immune system CRISPR-Cas (clustered regularly interspaced short palindromic repeats-CRISPR-associated) is a defense system that protects prokaryotes against foreign DNA. The short CRISPR RNAs (crRNAs) are central components of this immune system. In CRISPR-Cas systems type I and III, crRNAs are generated by the endonuclease Cas6. We developed a Cas6b-independent crRNA maturation pathway for the Haloferax type I-B system in vivo that expresses a functional crRNA, which we termed independently generated crRNA (icrRNA). The icrRNA is effective in triggering degradation of an invader plasmid carrying the matching protospacer sequence. The Cas6b-independent maturation of the icrRNA allowed mutation of the repeat sequence without interfering with signals important for Cas6b processing. We generated 23 variants of the icrRNA and analyzed them for activity in the interference reaction. icrRNAs with deletions or mutations of the 3′ handle are still active in triggering an interference reaction. The complete 3′ handle could be removed without loss of activity. However, manipulations of the 5′ handle mostly led to loss of interference activity. Furthermore, we could show that in the presence of an icrRNA a strain without Cas6b (Δcas6b) is still active in interference. PMID:25512373

Initial aging phenomena in copper-chromium alloys

NASA Technical Reports Server (NTRS)

Suzuki, H.; Motohiro, K.

1985-01-01

The effects of quenching and aging temperatures on the initial aging curves of Cu-Cr alloy were examined mainly by means of electrical resistivity measurements. Three Cu-Cr alloy specimens having 0.24, 0.74, and 1.0% Cr were solution-treated at 950-1050 C, quenched into ice-water, and subsequently aged at 300-500 C. The results were as follows: (1) At the very early stage of aging (within about 30 sec), an abrupt decrease of resistivity with lowering aging tempratures. (T sub A) and rising solution temperatures (T sub S) was observed at (T sub A) up to about 400 C. In contrast, a transient increase of resistivity with rising T sub A and lowering T sub S was observed at T sub A from about 450 to 500 C. These phenomena seem to be caused by a rapid formation of solute clusters and the reversion of clusters formed during quenching, which are enhanced by quenched-in vacancies, respectively. (2) The amount of precipitation increased at the latter stage of aging with rising T sub S and T sub A as generally expected, where T sub S was not so high as to form secondary defects. (3) As a result, the initial aging phenomena in Cr-Cr alloy were revealed to be complicated against expectations. This was considered to be due to the migration energy of vacancies so larger in Cu-base.

A new open cluster binary system in the Milky Way

NASA Astrophysics Data System (ADS)

Piatti, A. E.; Clariá, J. J.; Ahumada, A. V.

2011-10-01

We have obtained CCD UBVI_{KC} photometry for the open clusters (OCs) Hogg 12 and NGC 3590. Based on photometric and morphological criteria, as well as on the stellar density in the region, our evidence is sufficient to consider them a new open cluster binary system candidate.

Towards Molecular Characterization of Mineral-Organic Matter Interface Using In Situ Liquid Secondary Ion Mass Spectrometry

NASA Astrophysics Data System (ADS)

Zhu, Z.; Yu, X. Y.

2017-12-01

Organo-Mineral-Microbe interactions in terrestrial ecosystems are of great interest. Quite a few models have been developed through extensive efforts in this field. However, predictions from current models are far from being accurate, and many debates still exist. One of the major reasons is that most experimental data generated from bulk analysis, and the information of molecular dynamics occurring at mineral-organic matter interface is rare. Such information has been difficult to obtain, due to lack of suitable in situ analysis tools. Recently, we have developed in situ liquid secondary ion mass spectrometry (SIMS) at Pacific Northwest National Laboratory1, and it has shown promise to provide both elemental and molecular information at vacuum-liquid and solid-liquid interfaces.2 In this presentation, we demonstrate that in situ liquid SIMS can provide critical molecular information at solid substrate-live biofilm interface.3 Shewanella oneidensis is used as a model micro-organism and silicon nitride as a model mineral surface. Of particular interest, biologically relevant water clusters have been first observed in the living biofilms. Characteristic fragments of biofilm matrix components such as proteins, polysaccharides, and lipids can be molecularly examined. Furthermore, characteristic fatty acids (e.g., palmitic acid), quinolone signal, and riboflavin fragments were found to respond after the biofilm is treated with Cr(VI), leading to biofilm dispersal. Significant changes in water clusters and quorum sensing signals indicative of intercellular communication in the aqueous environment were observed, suggesting that they might result in fatty acid synthesis and inhibition of riboflavin production. The Cr(VI) reduction seems to follow the Mtr pathway leading to Cr(III) formation. Our approach potentially opens a new avenue for in-situ understanding of mineral-organo or mineral-microbe interfaces using in situ liquid SIMS and super resolution fluorescence microscopy. References:1 Hua, X. et al. Analyst 139, 1609-1613, (2014).2 Zhou, Y. F. et al. J Am Soc Mass Spectr 27, 2006-2013, (2016).3 Ding, Y. Z. et al. Anal Chem 88, 11244-11252, (2016).

Exfoliation and van der Waals heterostructure assembly of intercalated ferromagnet Cr1/3TaS2

NASA Astrophysics Data System (ADS)

Yamasaki, Yuji; Moriya, Rai; Arai, Miho; Masubuchi, Satoru; Pyon, Sunseng; Tamegai, Tsuyoshi; Ueno, Keiji; Machida, Tomoki

2017-12-01

Ferromagnetic van der Waals (vdW) materials are in demand for spintronic devices with all-two-dimensional-materials heterostructures. Here, we demonstrate mechanical exfoliation of magnetic-atom-intercalated transition metal dichalcogenide Cr1/3TaS2 from its bulk crystal; previously such intercalated materials were thought difficult to exfoliate. Magnetotransport in exfoliated tens-of-nanometres-thick flakes revealed ferromagnetic ordering below its Curie temperature T C ~ 110 K as well as strong in-plane magnetic anisotropy; these are identical to its bulk properties. Further, van der Waals heterostructure assembly of Cr1/3TaS2 with another intercalated ferromagnet Fe1/4TaS2 is demonstrated using a dry-transfer method. The fabricated heterojunction composed of Cr1/3TaS2 and Fe1/4TaS2 with a native Ta2O5 oxide tunnel barrier in between exhibits tunnel magnetoresistance (TMR), revealing possible spin injection and detection with these exfoliatable ferromagnetic materials through the vdW junction.

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

Jacobson, Heather R.; Pilachowski, Catherine A.; Friel, Eileen D., E-mail: jacob189@msu.edu, E-mail: catyp@astro.indiana.edu, E-mail: edfriel@mac.com

We present a detailed chemical abundance study of evolved stars in 10 open clusters based on Hydra multi-object echelle spectra obtained with the WIYN 3.5 m telescope. From an analysis of both equivalent widths and spectrum synthesis, abundances have been determined for the elements Fe, Na, O, Mg, Si, Ca, Ti, Ni, Zr, and for two of the 10 clusters, Al and Cr. To our knowledge, this is the first detailed abundance analysis for clusters NGC 1245, NGC 2194, NGC 2355, and NGC 2425. These 10 clusters were selected for analysis because they span a Galactocentric distance range R{sub gc}more » {approx} 9-13 kpc, the approximate location of the transition between the inner and outer disks. Combined with cluster samples from our previous work and those of other studies in the literature, we explore abundance trends as a function of cluster R{sub gc}, age, and [Fe/H]. As found previously by us and other studies, the [Fe/H] distribution appears to decrease with increasing R{sub gc} to a distance of {approx}12 kpc and then flattens to a roughly constant value in the outer disk. Cluster average element [X/Fe] ratios appear to be independent of R{sub gc}, although the picture for [O/Fe] is more complicated with a clear trend of [O/Fe] with [Fe/H] and sample incompleteness. Other than oxygen, no other element [X/Fe] exhibits a clear trend with [Fe/H]; likewise, there does not appear to be any strong correlation between abundance and cluster age. We divided clusters into different age bins to explore temporal variations in the radial element distributions. The radial metallicity gradient appears to have flattened slightly as a function of time, as found by other studies. There is also some indication that the transition from the inner disk metallicity gradient to the {approx}constant [Fe/H] distribution of the outer disk occurs at different Galactocentric radii for different age bins. However, interpretation of the time evolution of radial abundance distributions is complicated by the unequal R{sub gc} and [Fe/H] ranges spanned by clusters in different age bins.« less

Screening and characterization of phosphate solubilizing bacteria from isolate of thermophilic bacteria

NASA Astrophysics Data System (ADS)

Yulianti, Evy; Rakhmawati, Anna

2017-08-01

The aims of this study were to select bacteria that has the ability to dissolve phosphate from thermophilic bacteria isolates after the Merapi eruption. Five isolates of selected bacteria was characterized and continued with identification. Selection was done by using a pikovskaya selective medium. Bacterial isolates were grown in selective medium and incubated for 48 hours at temperature of 55 ° C. Characterization was done by looking at the cell and colony morphology, physiological and biochemical properties. Identification was done with the Profile Matching method based on the reference genus Oscillospira traced through Bergey's Manual of Determinative Bacteriology. Dendogram was created based on similarity index SSM. The results showed there were 14 isolates of bacteria that were able to dissolve phosphate indicated by a clear zone surrounding the bacterial colony on selective media. Five isolates were selected with the largest clear zone. Isolates D79, D92, D110a, D135 and D75 have different characters. The result of phenotypic characters identification with Genus Oscillospira profile has a percentage of 100% similarity to isolate D92 and D110a; 92.31% for isolates D79, and 84.6% for isolates D75 and D135. Dendogram generated from average linkage algorithm / UPGMA using the Simple Matching Coefficient (SSM) algorithms showed, isolate thermophilic bacteria D75 and D135 are combined together to form cluster 1. D110a and D92 form a sub cluster A. Sub cluster A and D79 form cluster 2

Reanalysis of 24 Nearby Open Clusters using Gaia data

NASA Astrophysics Data System (ADS)

Yen, Steffi X.; Reffert, Sabine; Röser, Siegfried; Schilbach, Elena; Kharchenko, Nina V.; Piskunov, Anatoly E.

2018-04-01

We have developed a fully automated cluster characterization pipeline, which simultaneously determines cluster membership and fits the fundamental cluster parameters: distance, reddening, and age. We present results for 24 established clusters and compare them to literature values. Given the large amount of stellar data for clusters available from Gaia DR2 in 2018, this pipeline will be beneficial to analyzing the parameters of open clusters in our Galaxy.

Associations between a Genetic Risk Score for Clinical CAD and Early Stage Lesions in the Coronary Artery and the Aorta.

PubMed

Salfati, Elias L; Herrington, David M; Assimes, Themistocles L

2016-01-01

The correlation between the extent of fatty streaks, more advanced atherosclerotic lesions, and community rates of coronary artery disease (CAD) is substantially higher for the coronary artery compared to the aorta. We sought to determine whether a genetic basis contributes to these differences. We conducted a cluster analysis of 6 subclinical atherosclerosis phenotypes documented in 564 white participants of the Pathobiological Determinants of Atherosclerosis in Youth study including the extent of fatty streaks and raised lesions in the coronary artery (CF and CR), thoracic aorta (TF and TR), and abdominal aorta (AF and AR) followed by a genetic association analysis of the same phenotypes. Our cluster analysis grouped all raised lesions and fatty streaks in the coronary into one cluster (CF, CR, TR, and AR) and the fatty streaks in the aorta into a second cluster (TF and AF). We found a genetic risk score of high-risk alleles at 57 susceptibility loci for CAD to be variably associated with the phenotypes in the first cluster (OR: 1.30 p = 0.009 for being in top quartile of degree of involvement of CF, 1.34 p = 0.005 for CR, 1.25: p = 0.11 for TR, and 1.19 p = 0.08 for AR) but not at all with the phenotypes in the second cluster (OR: 1.01, p = 0.95 for TF and 0.98, p = 0.82 for AF). The genetic determinants of fatty streaks in the aorta do not appear to overlap substantially with the genetic determinants of fatty streaks in the coronary as well as raised lesions in both the coronary and the aorta. These findings may explain why a larger fraction of fatty streaks in the aorta are less likely to progress to raised lesions compared to the coronary artery.

Associations between a Genetic Risk Score for Clinical CAD and Early Stage Lesions in the Coronary Artery and the Aorta

PubMed Central

Herrington, David M.

2016-01-01

Objective The correlation between the extent of fatty streaks, more advanced atherosclerotic lesions, and community rates of coronary artery disease (CAD) is substantially higher for the coronary artery compared to the aorta. We sought to determine whether a genetic basis contributes to these differences. Approach and Results We conducted a cluster analysis of 6 subclinical atherosclerosis phenotypes documented in 564 white participants of the Pathobiological Determinants of Atherosclerosis in Youth study including the extent of fatty streaks and raised lesions in the coronary artery (CF and CR), thoracic aorta (TF and TR), and abdominal aorta (AF and AR) followed by a genetic association analysis of the same phenotypes. Our cluster analysis grouped all raised lesions and fatty streaks in the coronary into one cluster (CF, CR, TR, and AR) and the fatty streaks in the aorta into a second cluster (TF and AF). We found a genetic risk score of high-risk alleles at 57 susceptibility loci for CAD to be variably associated with the phenotypes in the first cluster (OR: 1.30 p = 0.009 for being in top quartile of degree of involvement of CF, 1.34 p = 0.005 for CR, 1.25: p = 0.11 for TR, and 1.19 p = 0.08 for AR) but not at all with the phenotypes in the second cluster (OR: 1.01, p = 0.95 for TF and 0.98, p = 0.82 for AF). Conclusions The genetic determinants of fatty streaks in the aorta do not appear to overlap substantially with the genetic determinants of fatty streaks in the coronary as well as raised lesions in both the coronary and the aorta. These findings may explain why a larger fraction of fatty streaks in the aorta are less likely to progress to raised lesions compared to the coronary artery. PMID:27861582

Azole Functionalized Polyoxo-Titanium Clusters with Sunlight-Driven Dye Degradation Applications: Synthesis, Structure, and Photocatalytic Studies.

PubMed

Narayanam, Nagaraju; Chintakrinda, Kalpana; Fang, Wei-Hui; Kang, Yao; Zhang, Lei; Zhang, Jian

2016-10-06

Six polyoxo-titanium clusters (PTCs) with varying nuclearities containing Ti-N bonds and heteronuclearity, namely, [Ti 6 (μ 3 -O) 2 (μ 2 -O) 2 (O 3 P-Phen) 2 (OiPr) 10 (1-hbta) 2 ] (PTC-37), Ti 8 (μ 3 -O) 2 (μ 2 -O) 2 (O 3 P-Phen) 2 (OiPr) 16 (adn) 2 (NO 3 ) 2 ] (PTC-38), [Ti 4 (μ 3 -O)(μ 2 -O)(μ 2 -OiPr) 2 (OiPr) 4 (O 3 P-Phen) 3 (1,10-phn)](HOiPr) (PTC-39), [Ti 4 (μ 3 -O)(μ 2 -OiPr) 3 (OiPr) 5 (O 3 P-Phen) 3 (Im)] (PTC-40), [Ti 4 (μ 3 -O)(μ 2 -OiPr) 3 (OiPr) 5 (O 3 P-Phen) 3 (Im)][Ti 3 M(μ 3 -O)(μ 2 -OiPr) 3 (OiPr) 3 (O 3 P-Phen) 3 (Im)] (M = Co for PTC-41 and M = Zn for PTC-42; O 3 P-Phen = phenyl phosphonate, 1-hbta = 1-hydroxy benzotriazolate, adn = adenine, 1,10-phn = 1,10-phenanthroline, Im = imidazolate, and OiPr = isopropoxide) were prepared as crystalline samples and structurally characterized. Simultaneous doping of nitrogen and transition metal heteroatoms into the Ti-O clusters created complex chemical environments in the resulting hybrid materials. Thus, photocatalytic methylene blue degradation studies were performed to understand structure-property relationships in these Ti cluster-based materials. The complex chemical environment created in these novel molecular clusters had proved to exhibit ligand-dependent photocatalytic activities under normal sunlight. Adenine-functionalized PTC-38 presented moderate activities, while other PTCs all show rapid dye degradation.

The Reactivity and Structure of Size Selected VxO y Clusters on a TiO2 (110)-(1 X 1) Surface of Variable Oxidation State

NASA Astrophysics Data System (ADS)

Neilson, Hunter L.

The Reactivity and Structure of Size Selected VxOy Clusters on a TiO2 (110) Surface of Variable Oxidation State by Hunter L Neilson The selective oxidative dehydrogenation of methanol by vanadium oxide/TiO2 model systems has received a great deal of interest in the surface science community. Previous studies using temperature programmed desorption and reaction (TPD/R) to probe the oxidation of methanol to formaldehyde by vanadia/TiO2 model catalysts have shown that the activity of these systems vary considerably based on the way in which the model system is prepared with formaldehyde desorption temperatures observed anywhere from room temperature to 660 K. The principle reason for this variation is that the preparation of sub-monolayer films of vanadia on TiO2 produces clusters with a multitude of VxOy structures and a mixture of vanadium oxidation states. As a result the stoichiometry of the active vanadium oxide catalyst as well as the oxidation state of vanadium in the active catalyst remain unknown. To better understand this system, our group has probed the reactivity and structure of size-selected Vx, VOy and VxOy clusters on a reduced TiO2 (110) support in ultra-high vacuum (UHV) via TPD/R and scanning tunneling microscopy (STM). Ex situ preparation of these clusters in the gas phase prior to deposition has allowed us to systematically vary the stoichiometry of the vanadia clusters; a layer of control not available via the usual routes to vanadium oxide. The most active catalysts are shown to have (VO3)n stoichiometry in agreement with the theoretical models of the Metiu group. We have shown that both the activity and selectivity of V2O6 and V3O9 cluster catalysts depend sensitively on the oxidation state of the TiO2 (110) support. For example, V2O6 on a reduced surface is selective for the oxidation of methanol to formaldehyde while the selectivity shifts to favor methyl formate as the surface becomes increasingly oxidized. STM studies show that the structure of size-selected V2O6 clusters, upon adsorption to the surface, varies considerably with the oxidation state of the support, in good agreement with our reactivity studies. V 3O9 was shown to catalyze the oxidation of methanol to both formaldehyde and methyl formate on a reduced surface while STM suggests that, unlike V2O6, these clusters are prone to decomposition upon adsorption to the surface. Furthermore, TPD/R of size selected V 2O5 and V2O7 on TiO2 suggests that altering the stoichiometry of the (VO3)n clusters by a single oxygen atom significantly inhibits the activity of these catalysts.

New open cluster candidates discovered in the XSTPS-GAC survey

NASA Astrophysics Data System (ADS)

Guo, Jin-Cheng; Zhang, Hua-Wei; Zhang, Hui-Hua; Liu, Xiao-Wei; Yuan, Hai-Bo; Huang, Yang; Wang, Song; Chen, Li; Zhao, Hai-Bin; Liu, Ji-Feng; Chen, Bing-Qiu; Xiang, Mao-Sheng; Tian, Zhi-Jia; Huo, Zhi-Ying; Wang, Chun

2018-03-01

The Xuyi Schmidt Telescope Photometric Survey of the Galactic Anti-center (XSTPS-GAC) is a photometric sky survey that covers nearly 6000 deg2 towards the Galactic Anti-center (GAC) in the g, r, i bands. Half of its survey field is located on the Galactic Anti-center disk, which makes XSTPS-GAC highly suitable to search for new open clusters in the GAC region. In this paper, we report new open cluster candidates discovered in this survey, as well as properties of these open cluster candidates, such as age, distance and reddening, derived by isochrone fitting in the color-magnitude diagram (CMD). These open cluster candidates are stellar density peaks detected in the star density maps by applying the method from Koposov et al. Each candidate is inspected in terms of its true color image composed from three XSTPS-GAC band images. Then its CMD is checked, in order to identify whether the central region stars have a clear isochrone-like trend differing from background stars. The parameters derived from isochrone fitting for these candidates are mainly based on three band photometry of XSTPS-GAC. Moreover, when these new candidates are able to be seen clearly in 2MASS data, their parameters are also derived based on the 2MASS (J – H, J) CMD. There are a total of 320 known open clusters rediscovered and 24 new open cluster candidates discovered in this work. Furthermore, the parameters of these new candidates, as well as another 11 previously known open clusters, are properly determined for the first time.

Uncovering the Origin of Divergence in the CsM(CrO 4) 2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis

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

Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han

A series of f-block chromates, CsM(CrO 4) 2 (M = La, Pr, Nd, Sm, Eu; Am), were prepared revealing notable differences between the Am III derivatives and their lanthanide analogs. While all compounds form similar layered structures, the americium compound exhibits polymorphism and adopts both a structure isomorphous with the early lanthanides as well as one that possesses lower symmetry. Both polymorphs are dark red and possess band gaps that are smaller than the Ln III compounds. In order to probe the origin of these differences, the electronic structure of α-CsSm(CrO 4) 2, α-CsEu(CrO 4) 2, and α-CsAm(CrO 4) 2more » were studied using both a molecular cluster approach featuring hybrid density functional theory and QTAIM analysis and by the periodic LDA+GA and LDA+DMFT methods. Notably, the covalent contributions to bonding by the f orbitals were found to be more than twice as large in the Am III chromate than in the Sm III and Eu III compounds, and even larger in magnitude than the Am-5f spin–orbit splitting in this system. Our analysis indicates also that the Am–O covalency in α-CsAm(CrO 4) 2 is driven by the degeneracy of the 5f and 2p orbitals, and not by orbital overlap.« less

Uncovering the Origin of Divergence in the CsM(CrO 4) 2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis

DOE PAGES

Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; ...

2018-01-10

A series of f-block chromates, CsM(CrO 4) 2 (M = La, Pr, Nd, Sm, Eu; Am), were prepared revealing notable differences between the Am III derivatives and their lanthanide analogs. While all compounds form similar layered structures, the americium compound exhibits polymorphism and adopts both a structure isomorphous with the early lanthanides as well as one that possesses lower symmetry. Both polymorphs are dark red and possess band gaps that are smaller than the Ln III compounds. In order to probe the origin of these differences, the electronic structure of α-CsSm(CrO 4) 2, α-CsEu(CrO 4) 2, and α-CsAm(CrO 4) 2more » were studied using both a molecular cluster approach featuring hybrid density functional theory and QTAIM analysis and by the periodic LDA+GA and LDA+DMFT methods. Notably, the covalent contributions to bonding by the f orbitals were found to be more than twice as large in the Am III chromate than in the Sm III and Eu III compounds, and even larger in magnitude than the Am-5f spin–orbit splitting in this system. Our analysis indicates also that the Am–O covalency in α-CsAm(CrO 4) 2 is driven by the degeneracy of the 5f and 2p orbitals, and not by orbital overlap.« less

Fabrication and analysis of Cr-doped ZnO nanoparticles from the gas phase.

PubMed

Schneider, L; Zaitsev, S V; Jin, W; Kompch, A; Winterer, M; Acet, M; Bacher, G

2009-04-01

High quality Cr-doped ZnO nanoparticles from the gas phase were prepared and investigated with respect to their structural, optical and magnetic properties. The extended x-ray absorption fine structure and the x-ray absorption near edge structure of the particles verify that after nanoparticle preparation Cr is incorporated as Cr3+ ) at least partially on sites with a 4-fold oxygen configuration, most likely on a Zn site, into the wurtzite lattice. Despite the fact that Cr is known to act as an efficient non-radiative loss centre for near band gap emission (NBE), a pronounced NBE is obtained up to room temperature even for a nominal Cr concentration of 10 at.%. Annealing at 1000 degrees C results in a significant improvement of the photoluminescence efficiency and a reduced PL linewidth down to 2.9 meV at low temperatures while the structural and magnetic data indicate the formation of ZnCr2O4 clusters.

Cathodic reduction of hexavalent chromium [Cr(VI)] coupled with electricity generation in microbial fuel cells.

PubMed

Wang, Gang; Huang, Liping; Zhang, Yifeng

2008-11-01

A novel approach to Cr(VI)-contaminated wastewater treatment was investigated using microbial fuel cell technologies in fed-batch mode. By using synthetic Cr(VI)-containing wastewater as catholyte and anaerobic microorganisms as anodic biocatalyst, Cr(VI) at 100 mg/l was completely removed during 150 h (initial pH 2). The maximum power density of 150 mW/m(2) (0.04 mA/cm(2)) and the maximum open circuit voltage of 0.91 V were generated with Cr(VI) at 200 mg/l as electron acceptor. This work verifies the possibility of simultaneous electricity production and cathodic Cr(VI) reduction.

Partially filled intermediate band of Cr-doped GaN films

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

Sonoda, S.

2012-05-14

We investigated the band structure of sputtered Cr-doped GaN (GaCrN) films using optical absorption, photoelectron yield spectroscopy, and charge transport measurements. It was found that an additional energy band is formed in the intrinsic band gap of GaN upon Cr doping, and that charge carriers in the material move in the inserted band. Prototype solar cells showed enhanced short circuit current and open circuit voltage in the n-GaN/GaCrN/p-GaN structure compared to the GaCrN/p-GaN structure, which validates the proposed concept of an intermediate-band solar cell.

Gravitational Waves and Intermediate-mass Black Hole Retention in Globular Clusters

NASA Astrophysics Data System (ADS)

Fragione, Giacomo; Ginsburg, Idan; Kocsis, Bence

2018-04-01

The recent discovery of gravitational waves (GWs) has opened new horizons for physics. Current and upcoming missions, such as LIGO, VIRGO, KAGRA, and LISA, promise to shed light on black holes of every size from stellar mass (SBH) sizes up to supermassive black holes. The intermediate-mass black hole (IMBH) family has not been detected beyond any reasonable doubt. Recent analyses suggest observational evidence for the presence of IMBHs in the centers of two Galactic globular clusters (GCs). In this paper, we investigate the possibility that GCs were born with a central IMBH, which undergoes repeated merger events with SBHs in the cluster core. By means of a semi-analytical method, we follow the evolution of the primordial cluster population in the galactic potential and the mergers of the binary IMBH-SBH systems. Our models predict ≈1000 IMBHs within 1 kpc from the galactic center and show that the IMBH-SBH merger rate density changes from { \\mathcal R }≈ 1000 Gpc‑3 yr‑1 beyond z ≈ 2 to { \\mathcal R }≈ 1{--}10 Gpc‑3 yr‑1 at z ≈ 0. The rates at low redshifts may be significantly higher if young massive star clusters host IMBHs. The merger rates are dominated by IMBHs with masses between 103 and 104 M ⊙. Currently, there are no LIGO/VIRGO upper limits for GW sources in this mass range, but our results show that at design sensitivity, these instruments will detect IMBH-SBH mergers in the coming years. LISA and the Einstein Telescope will be best suited to detect these events. The inspirals of IMBH-SBH systems may also generate an unresolved GW background.

THE SPITZER SURVEY OF INTERSTELLAR CLOUDS IN THE GOULD BELT. III. A MULTI-WAVELENGTH VIEW OF CORONA AUSTRALIS

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

Peterson, Dawn E.; Bourke, Tyler L.; Forbrich, Jan

2011-06-01

We present Spitzer Space Telescope IRAC and MIPS observations of a 0.85 deg{sup 2} field including the Corona Australis (CrA) star-forming region. At a distance of 130 pc, CrA is one of the closest regions known to be actively forming stars, particularly within its embedded association, the Coronet. Using the Spitzer data, we identify 51 young stellar objects (YSOs) in CrA which include sources in the well-studied Coronet cluster as well as sources distributed throughout the molecular cloud. Twelve of the YSOs discussed are new candidates, one of which is located in the Coronet. Known YSOs retrieved from the literaturemore » are also added to the list, and a total of 116 candidate YSOs in CrA are compiled. Based on these YSO candidates, the star formation rate is computed to be 12 M{sub sun} Myr{sup -1}, similar to that of the Lupus clouds. A clustering analysis was also performed, finding that the main cluster core, consisting of 68 members, is elongated (having an aspect ratio of 2.36), with a circular radius of 0.59 pc and mean surface density of 150 pc{sup -2}. In addition, we analyze outflows and jets in CrA by means of new CO and H{sub 2} data. We present 1.3 mm interferometric continuum observations made with the Submillimeter Array (SMA) covering R CrA, IRS 5, IRS 7, and IRAS 18595-3712 (IRAS 32). We also present multi-epoch H{sub 2} maps and detect jets and outflows, study their proper motions, and identify exciting sources. The Spitzer and ISAAC/VLT observations of IRAS 32 show a bipolar precessing jet, which drives a CO(2-1) outflow detected in the SMA observations. There is also clear evidence for a parsec-scale precessing outflow, which is east-west oriented and originates in the SMA 2 region and likely driven by SMA 2 or IRS 7A.« less

Singlet-paired coupled cluster theory for open shells

NASA Astrophysics Data System (ADS)

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

2016-06-01

Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior for strong correlation without requiring symmetry breaking in the reference. Here, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference.

Forensic investigation of a chromium(VI) groundwater plume in Thiva, Greece.

PubMed

Panagiotakis, I; Dermatas, D; Vatseris, C; Chrysochoou, M; Papassiopi, N; Xenidis, A; Vaxevanidou, K

2015-01-08

A forensic investigation was conducted with the aim of decoupling the contribution of geogenic and anthropogenic Cr(VI) sources in the wider area of Thiva. Groundwater and topsoil samples were collected from two Cr(VI) groundwater plumes of 160 μg/L and 75 μg/L. A series of evidence support the view that the origin of Cr(VI) detected in groundwater is mainly geogenic. These are: (a) the presence of Cr in topsoil of the wider area, (b) the moderate Cr(VI) groundwater concentrations, (c) the high Ni levels within the Cr(VI) plumes, (d) the predominance of Mn(IV), which is a prerequisite for Cr(III) oxidation to Cr(VI), and (e) the absence of co-contaminants. The present study also revealed that, although both Cr(VI) plumes are clearly of geogenic origin, the plume with the elevated Cr(VI) values, in the north of Thiva town, exhibits also an anthropogenic component, which can potentially be attributed to the alkaline environment associated with the old uncontrolled landfill of Thiva and the industrial cluster located in this area. Copyright © 2014 Elsevier B.V. All rights reserved.

QUANTUM CALCULATIONS OF ENERGETICS OF RHENIUM CLUSTERS IN TUNGSTEN

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

Setyawan, Wahyu; Nandipati, Giridhar; Roche, Kenneth J.

2015-09-22

Density functional theory was employed to explore the energetic properties of clusters up to size 2 of Re in W. While WW<111> is the most stable intrinsic dumbbell, ReW<110> is more stable than ReW<111>. However, when they are trapped by a substitutional Re (Re_s), ReW<111> becomes more stable than ReW<110>. In this case, the most stable configuration forms a ReWRe crowdion with the W atom in between the Re atoms. Simulations of a ReW[111] (dumbbell’s vector is from Re to W) approaching a Re_s along [111] indicate that the binding energy decreases from 0.83 eV at the first nearest neighbormore » (NN1) to 0.10 eV at NN3 and ~0 at NN4. In addition, while ReW<111> and ReW<110> are stable near a Re_s at NN1, the ReW<100> instantaneously rotates toward ReW<111>.« less

Accumulation of Cr, Cd, Pb, Cu, and Zn by plants in tanning sludge storage sites: opportunities for contamination bioindication and phytoremediation

USDA-ARS?s Scientific Manuscript database

The lack of appropriate disposal strategies of tanning sludge (e.g., uncontrolled landfills and disposing sludge to open areas) has led to severe Cr pollution in waters and soils in many developing countries. Excessive Cr can be highly toxic to many living organisms and may damage the ecosystem. In ...

Hogg 12 and NGC 3590: A New Open Cluster Binary System Candidate

NASA Astrophysics Data System (ADS)

Piatti, Andrés E.; Clariá, Juan J.; Ahumada, Andrea V.

2010-05-01

We have obtained CCD UBVIKC photometry down to V ˜ 22.0 for the open clusters Hogg 12 and NGC 3590 and the fields surrounding them. Based on photometric and morphological criteria, as well as on the stellar density in the region, our evidence is sufficient to confirm that Hogg 12 is a genuine open cluster. NGC 3590 was used as a control cluster. The color-magnitude diagrams of Hogg 12, cleaned from field star contamination, reveal that this is a solar metal content cluster, affected by E(B - V) = 0.40 ± 0.05, located at a heliocentric distance d = 2.0 ± 0.5 kpc, and of an age similar to that of NGC 3590 (t = 30 Myr). Both clusters are surprisingly small objects whose radii are barely ˜1 pc, andthey are separated in the sky by scarcely 3.6 pc. These facts, added to their similar ages, reddenings, and metallicities, allow us to consider them a new open cluster binary system candidate. Of the ˜180 open cluster binary systems estimated to exist in the Galaxy, of which 27 are actually well known, Hogg 12 and NGC 3590 appear to be one of the two closest pairs.

Eclipsing Binaries in Open Clusters

NASA Astrophysics Data System (ADS)

Southworth, John; Clausen, Jens Viggo

2006-08-01

The study of detached eclipsing binaries in open clusters can provide stringent tests of theoretical stellar evolutionary models, which must simultaneously fit the masses, radii, and luminosities of the eclipsing stars and the radiative properties of every other star in the cluster. We review recent progress in such studies and discuss two unusually interesting objects currently under analysis. GV Carinae is an A0 m + A8 m binary in the Southern open cluster NGC 3532; its eclipse depths have changed by 0.1 mag between 1990 and 2001, suggesting that its orbit is being perturbed by a relatively close third body. DW Carinae is a high-mass unevolved B1 V + B1 V binary in the very young open cluster Collinder 228, and displays double-peaked emission in the centre of the Hα line which is characteristic of Be stars. We conclude by pointing out that the great promise of eclipsing binaries in open clusters can only be satisfied when both the binaries and their parent clusters are well-observed, a situation which is less common than we would like.

Cosmic-ray Induced Destruction of CO in Star-forming Galaxies

NASA Astrophysics Data System (ADS)

Bisbas, Thomas G.; van Dishoeck, Ewine F.; Papadopoulos, Padelis P.; Szűcs, László; Bialy, Shmuel; Zhang, Zhi-Yu

2017-04-01

We explore the effects of the expected higher cosmic ray (CR) ionization rates {\\zeta }{CR} on the abundances of carbon monoxide (CO), atomic carbon (C), and ionized carbon (C+) in the H2 clouds of star-forming galaxies. The study of Bisbas et al. is expanded by (a) using realistic inhomogeneous giant molecular cloud (GMC) structures, (b) a detailed chemical analysis behind the CR-induced destruction of CO, and (c) exploring the thermal state of CR-irradiated molecular gas. CRs permeating the interstellar medium with {\\zeta }{CR}≳ 10× ({Galactic}) are found to significantly reduce the [CO]/[H2] abundance ratios throughout the mass of a GMC. CO rotational line imaging will then show much clumpier structures than the actual ones. For {\\zeta }{CR}≳ 100 × (Galactic) this bias becomes severe, limiting the usefulness of CO lines for recovering structural and dynamical characteristics of H2-rich galaxies throughout the universe, including many of the so-called main-sequence galaxies where the bulk of cosmic star formation occurs. Both C+ and C abundances increase with rising {\\zeta }{CR}, with C remaining the most abundant of the two throughout H2 clouds, when {\\zeta }{CR}˜ (1-100) × (Galactic). C+ starts to dominate for {\\zeta }{CR}≳ {10}3 × (Galactic). The thermal state of the gas in the inner and denser regions of GMCs is invariant with {T}{gas}˜ 10 {{K}} for {\\zeta }{CR}˜ (1-10) × (Galactic). For {\\zeta }{CR}˜ {10}3 × (Galactic) this is no longer the case and {T}{gas}˜ 30{--}50 {{K}} are reached. Finally, we identify OH as the key species whose T gas-sensitive abundance could mitigate the destruction of CO at high temperatures.

Strengthening due to Cr-rich precipitates in Fe-Cr alloys: Effect of temperature and precipitate composition

NASA Astrophysics Data System (ADS)

Terentyev, D.; Hafez Haghighat, S. M.; Schäublin, R.

2010-03-01

Molecular dynamics (MD) simulations were carried out to study the interaction between nanometric Cr precipitates and a 1/2 ⟨111⟩{110} edge dislocation (ED) in pure Fe and Fe-9 at. % Cr (Fe-9Cr) random alloy. The aim of this work is to estimate the variation in the pinning strength of the Cr precipitate as a function of temperature, its chemical composition and the matrix composition in which the precipitate is embedded. The dislocation was observed to shear Cr precipitates rather than by-pass via the formation of the Orowan loop, even though a pronounced screw dipole was emerged in the reactions with the precipitates of size larger than 4.5 nm. The screw arms of the formed dipole were not observed to climb thus no point defects were left inside the sheared precipitates, irrespective of simulation temperature. Both Cr solution and Cr precipitates, embedded in the Fe-9Cr matrix, were seen to contribute to the flow stress. The decrease in the flow stress with temperature in the alloy containing Cr precipitates is, therefore, related to the simultaneous change in the matrix friction stress, precipitate resistance, and dislocation flexibility. Critical stress estimated from MD simulations was seen to have a strong dependence on the precipitate composition. If the latter decreases from 95% down to 80%, the corresponding critical stress decreases almost as twice. The results presented here suggest a significant contribution to the flow stress due to the α -α' separation, at least for EDs. The obtained data can be used to validate and to parameterize dislocation dynamics models, where the temperature dependence of the obstacle strength is an essential input data.

Columnar epitaxy of hexagonal and orthorhombic silicides on Si(111)

NASA Technical Reports Server (NTRS)

Fathauer, R. W.; Nieh, C. W.; Xiao, Q. F.; Hashimoto, Shin

1990-01-01

Columnar grains of PtSi and CrSi2 surrounded by high-quality epitaxial silicon are obtained by ultrahigh vacuum codeposition of Si and metal in an approximately 10:1 ratio on Si(111) substrates heated to 610-840 C. This result is similar to that found previously for CoSi2 (a nearly-lattice-matched cubic-fluorite crystal) on Si(111), in spite of the respective orthorhombic and hexagonal structures of PtSi and CrSi2. The PtSi grains are epitaxial and have one of three variants of the relation defined by PtSi(010)/Si(111), with PtSi 001 line/Si 110 line type.

Assembling the Streptococcus thermophilus clustered regularly interspaced short palindromic repeats (CRISPR) array for multiplex DNA targeting.

PubMed

Guo, Lijun; Xu, Kun; Liu, Zhiyuan; Zhang, Cunfang; Xin, Ying; Zhang, Zhiying

2015-06-01

In addition to the advantages of scalable, affordable, and easy to engineer, the clustered regularly interspaced short palindromic repeats (CRISPR)/CRISPR-associated protein (Cas) technology is superior for multiplex targeting, which is laborious and inconvenient when achieved by cloning multiple gRNA expressing cassettes. Here, we report a simple CRISPR array assembling method which will facilitate multiplex targeting usage. First, the Streptococcus thermophilus CRISPR3/Cas locus was cloned. Second, different CRISPR arrays were assembled with different crRNA spacers. Transformation assays using different Escherichia coli strains demonstrated efficient plasmid DNA targeting, and we achieved targeting efficiency up to 95% with an assembled CRISPR array with three crRNA spacers. Copyright © 2015 Elsevier Inc. All rights reserved.

Metal thin film growth on multimetallic surfaces: From quaternary metallic glass to binary crystal

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

Jing, Dapeng

2010-01-01

The work presented in this thesis mainly focuses on the nucleation and growth of metal thin films on multimetallic surfaces. First, we have investigated the Ag film growth on a bulk metallic glass surface. Next, we have examined the coarsening and decay of bilayer Ag islands on NiAl(110) surface. Third, we have investigated the Ag film growth on NiAl(110) surface using low-energy electron diffraction (LEED). At last, we have reported our investigation on the epitaxial growth of Ni on NiAl(110) surface. Some general conclusions can be drawn as follows. First, Ag, a bulk-crystalline material, initially forms a disordered wetting layermore » up to 4-5 monolayers on Zr-Ni-Cu-Al metallic glass. Above this coverage, crystalline 3D clusters grow, in parallel with the flatter regions. The cluster density increases with decreasing temperature, indicating that the conditions of island nucleation are far-from-equilibrium. Within a simple model where clusters nucleate whenever two mobile Ag adatoms meet, the temperature-dependence of cluster density yields a (reasonable) upper limit for the value of the Ag diffusion barrier on top of the Ag wetting layer of 0.32 eV. Overall, this prototypical study suggests that it is possible to grow films of a bulk-crystalline metal that adopt the amorphous character of a glassy metal substrate, if film thickness is sufficiently low. Next, the first study of coarsening and decay of bilayer islands has been presented. The system was Ag on NiAl(110) in the temperature range from 185 K to 250 K. The coarsening behavior, has some similarities to that seen in the Ag(110) homoepitaxial system studied by Morgenstern and co-workers. At 185 K and 205 K, coarsening of Ag islands follows a Smoluchowski ripening pathway. At 205 K and 250 K, the terrace diffusion limited Ostwald ripening dominants. The experimental observed temperature for the transition from SR to OR is 205 K. The SR exhibits anisotropic island diffusion and the OR exhibits 1D decay of island length while keeping the corresponding island width constant. Third, LEED indicates that, up to about 6 BL (12 ML), the Ag film adopts the (110) structure on lattice matched NiAl(110) surface, supporting the previous assignment based upon island heights measured in STM. Starting at 4.5 to 6 BL, (111) diffraction pattern is detected. This is also in agreement with previous STM study. Careful examinations of the LEED patterns reveal the slight difference in lattice constants between bulk Ag and bulk NiAl. At last, we performed STM studies of Ni deposition on NiAl(110) in the temperature range from 200 K to 400 K. Ni forms 'dense' Ni(100)-like islands on NiAl(110) with a zig-zag shaped stripe feature which is probably due to strain relief. DFT analysis provides insights into the island growth shapes, which are rationalized by the thermodynamics and kinetics of the film growth process. For thick Ni films (coverage exceeding 6 ML), a Ni(111)-like structure developed. Traditional MF theory is applied to analyze island density at 200 K. Deviation from homogeneous nucleation behavior for island size distribution and island density reveals the presence of heterogeneous nucleation mediated by the Ni antisite point defects on NiAl(110) surface.« less

Modacrylic anion-exchange fibers for Cr(VI) removal from chromium-plating rinse water in batch and flow-through column experiments.

PubMed

Lee, Seung-Chan; Kang, Jin-Kyu; Sim, Eun-Hye; Choi, Nag-Choul; Kim, Song-Bae

2017-11-10

The aim of this study was to investigate Cr(VI) removal from chromium-plating rinse water using modacrylic anion-exchange fibers (KaracaronTM KC31). Batch experiments were performed with synthetic Cr(VI) solutions to characterize the KC31 fibers in Cr(VI) removal. Cr(VI) removal by the fibers was affected by solution pH; the Cr(VI) removal capacity was the highest at pH 2 and decreased gradually with a pH increase from 2 to 12. In regeneration and reuse experiments, the Cr(VI) removal capacity remained above 37.0 mg g -1 over five adsorption-desorption cycles, demonstrating that the fibers could be successfully regenerated with NaCl solution and reused. The maximum Cr(VI) removal capacity was determined to be 250.3 mg g -1 from the Langmuir model. In Fourier-transform infrared spectra, a Cr = O peak newly appeared at 897 cm -1 after Cr(VI) removal, whereas a Cr-O peak was detected at 772 cm -1 due to the association of Cr(VI) ions with ion-exchange sites. X-ray photoelectron spectroscopy analyses demonstrated that Cr(VI) was partially reduced to Cr(III) after the ion exchange on the surfaces of the fibers. Batch experiments with chromium-plating rinse water (Cr(VI) concentration = 1178.8 mg L -1 ) showed that the fibers had a Cr(VI) removal capacity of 28.1-186.4 mg g -1 under the given conditions (fiber dose = 1-10 g L -1 ). Column experiments (column length = 10 cm, inner diameter = 2.5 cm) were conducted to examine Cr(VI) removal from chromium-plating rinse water by the fibers under flow-through column conditions. The Cr(VI) removal capacities for the fibers at flow rates of 0.5 and 1.0 mL min -1 were 214.8 and 171.5 mg g -1 , respectively. This study demonstrates that KC31 fibers are effective in the removal of Cr(VI) ions from chromium-plating rinse water.

Blue straggler stars: lessons from open clusters.

NASA Astrophysics Data System (ADS)

Geller, Aaron M.

Open clusters enable a deep dive into blue straggler characteristics. Recent work shows that the binary properties (frequency, orbital elements and companion masses and evolutionary states) of the blue stragglers are the most important diagnostic for determining their origins. To date the multi-epoch radial-velocity observations necessary for characterizing these blue straggler binaries have only been carried out in open clusters. In this paper, I highlight recent results in the open clusters NGC 188, NGC 2682 (M67) and NGC 6819. The characteristics of many of the blue stragglers in these open clusters point directly to origins through mass transfer from an evolved donor star. Additionally, a handful of blue stragglers show clear signatures of past dynamical encounters. These comprehensive, diverse and detailed observations also reveal important challenges for blue straggler formation models (and particularly the mass-transfer channel), which we must overcome to fully understand the origins of blue straggler stars and other mass-transfer products.

The Open Cluster Chemical Abundances and Mapping (OCCAM) Survey: Current Status

NASA Astrophysics Data System (ADS)

Frinchaboy, Peter; O'Connell, Julia; Donor, John; Cunha, Katia; Thompson, Benjamin; Melendez, Matthew; Shetrone, Matthew; Zasowski, Gail; Majewski, Steven R.; APOGEE TEAM

2018-01-01

The Open Cluster Chemical Analysis and Mapping (OCCAM) survey aims to produce a comprehensive, uniform, infrared-based data set forhundreds of open clusters, and constrain key Galactic dynamical and chemical parameters using the SDSS/APOGEE survey and follow-up from the McDonald Observatory Otto Struve 2.1-m telescope and Sandiford Cass Echelle Spectrograph (R ~ 60,000). We report on multi-element radial abundance gradients obtained from a sample of over 30 disk open clusters. The APOGEE chemical abundances were derived automatically by the ASPCAP pipeline and these are part of the SDSS IV Data Release 14, optical follow-up were analyzed using equivalent width analysis and spectral synthesis. We present the current open cluster sample that spans a significant range in age allowing exploration of the evolution of the Galactic abundance gradients. This work is supported by an NSF AAG grants AST-1311835 & AST-1715662.

Microstructure and mechanical properties of open-cellular biomaterials prototypes for total knee replacement implants fabricated by electron beam melting.

PubMed

Murr, L E; Amato, K N; Li, S J; Tian, Y X; Cheng, X Y; Gaytan, S M; Martinez, E; Shindo, P W; Medina, F; Wicker, R B

2011-10-01

Total knee replacement implants consisting of a Co-29Cr-6Mo alloy femoral component and a Ti-6Al-4V tibial component are the basis for the additive manufacturing of novel solid, mesh, and foam monoliths using electron beam melting (EBM). Ti-6Al-4V solid prototype microstructures were primarily α-phase acicular platelets while the mesh and foam structures were characterized by α(')-martensite with some residual α. The Co-29Cr-6Mo containing 0.22% C formed columnar (directional) Cr(23)C(6) carbides spaced ~2 μm in the build direction, while HIP-annealed Co-Cr alloy exhibited an intrinsic stacking fault microstructure. A log-log plot of relative stiffness versus relative density for Ti-6Al-4V and Co-29Cr-6Mo open-cellular mesh and foams resulted in a fitted line with a nearly ideal slope, n = 2.1. A stress shielding design graph constructed from these data permitted mesh and foam implant prototypes to be fabricated for compatible bone stiffness. Copyright © 2011 Elsevier Ltd. All rights reserved.

Characterization of helium-vacancy complexes in He-ions implanted Fe9Cr by using positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Zhu, Te; Jin, Shuoxue; Zhang, Peng; Song, Ligang; Lian, Xiangyu; Fan, Ping; Zhang, Qiaoli; Yuan, Daqing; Wu, Haibiao; Yu, Runsheng; Cao, Xingzhong; Xu, Qiu; Wang, Baoyi

2018-07-01

The formation of helium bubble precursors, i.e., helium-vacancy complexes, was investigated for Fe9Cr alloy, which was uniformly irradiated by using 100 keV helium ions with fluences up to 5 × 1016 ions/cm2 at RT, 523, 623, 723, and 873 K. Helium-irradiation-induced microstructures in the alloy were probed by positron annihilation technique. The results show that the ratio of helium atom to vacancy (m/n) in the irradiation induced HemVn clusters is affected by the irradiation temperature. Irradiated at room temperature, there is a coexistence of large amounts of HemV1 and mono-vacancies in the sample. However, the overpressured HemVn (m > n) clusters or helium bubbles are easily formed by the helium-filled vacancy clusters (HemV1 and HemVn (m ≈ n)) absorbing helium atoms when irradiated at 523 K and 823 K. The results also show that void swelling of the alloy is the largest under 723 K irradiation.

Unveiling the Synchrotron Cosmic Web: Pilot Study

NASA Astrophysics Data System (ADS)

Brown, Shea; Rudnick, Lawrence; Pfrommer, Christoph; Jones, Thomas

2011-10-01

The overall goal of this project is to challenge our current theoretical understanding of the relativistic particle populations in the inter-galactic medium (IGM) through deep 1.4 GHz observations of 13 massive, high-redshift clusters of galaxies. Designed to compliment/extend the GMRT radio halo survey (Venturi et al. 2007), these observations will attempt to detect the peaks of the purported synchrotron cosmic-web, and place serious limits on models of CR acceleration and magnetic field amplification during large-scale structure formation. The primary goals of this survey are: 1) Confirm the bi-modal nature of the radio halo population, which favors turbulent re-acceleration of cosmic-ray electrons (CRe) during cluster mergers as the source of the diffuse radio emission; 2) Directly test hadronic secondary models which predict the presence of cosmic-ray protons (CRp) in the cores of massive X-ray clusters; 3) Search in polarization for shock structures, a potential source of CR acceleration in the IGM.

Geographical and pedological drivers of distribution and risks to soil fauna of seven metals (Cd, Cu, Cr, Ni, Pb, V and Zn) in British soils.

PubMed

Spurgeon, David J; Rowland, Philip; Ainsworth, Gillian; Rothery, Peter; Long, Sara; Black, Helaina I J

2008-05-01

Concentrations of seven metals were measured in over 1000 samples as part of an integrated survey. Sixteen metal pairs were significantly positively correlated. Cluster analysis identified two clusters. Metals from the largest (Cr, Cu, Ni, V, Zn), but not the smallest (Cd, Pb) cluster were significantly negatively correlated with spatial location and soil pH and organic matter content. Cd and Pb were not correlated with these parameters, due possibly to the masking effect of recent extensive release. Analysis of trends with soil properties in different habitats indicated that general trends may not necessarily be applicable to all areas. A risk assessment indicated that Zn poses the most widespread direct risk to soil fauna and Cd the least. Any risks associated with high metal concentrations are, however, likely to be greatest in habitats such as arable and horticultural, improved grassland and built up areas where soil metal concentrations are more frequently elevated.

A baseline record of trace elements concentration along the beach placer mining areas of Kanyakumari coast, South India.

PubMed

Simon Peter, T; Chandrasekar, N; John Wilson, J S; Selvakumar, S; Krishnakumar, S; Magesh, N S

2017-06-15

Trace element concentration in the beach placer mining areas of Kanyakumari coast, South India was assessed. Sewage and contaminated sediments from mining sites has contaminated the surface sediments. Enrichment factor indicates moderately severe enrichment for Pb, minor enrichment for Mn, Zn, Ni, Fe and no enrichment for Cr and Cu. The Igeo values show higher concentration of Pb ranging in the scale of 3-4, which shows strong contamination due to high anthropogenic activity such as mining and terrestrial influences into the coastal regions. Correlation coefficient shows that most of the elements are associated with each other except Ni and Pb. Factor analysis reveals that Mn, Zn, Fe, Cr, Pb and Cu are having a significant loading and it indicates that these elements are mainly derived from similar origin. The cluster analysis clearly indicated that the mining areas are grouped under cluster 2 and non-mining areas are clustered under group 1. Copyright © 2017 Elsevier Ltd. All rights reserved.

Experimental investigation of the ordering pathway in a Ni-33 at.%Cr alloy

DOE PAGES

Gwalani, B.; Alam, T.; Miller, C.; ...

2016-06-17

The present study involves a detailed experimental investigation of the concurrent compositional clustering and long-range ordering tendencies in a Ni-33 at.%Cr alloy, carried out by coupling synchrotron-based X-ray diffraction (XRD), transmission electron microscopy (TEM), and atom probe tomography (APT). Synchrotron-based XRD results clearly exhibited progressively increasing lattice contraction in the matrix with increasing isothermal aging time, at 475 degrees C, eventually leading to the development of long-range ordering (LRO) of the Pt2Mo-type. Detailed TEM and APT investigations revealed that this LRO in the matrix is manifested in the form of nanometer-scale ordered domains, and the spatial distribution, size, morphology andmore » compositional evolution of these domains have been carefully investigated. Here, the APT results also revealed the early stages of compositional clustering prior to the onset of long-range ordering in this alloy and such compositional clustering can potentially be correlated to the lattice contraction and previously proposed short-range ordering tendencies.« less

Efficacy of a Universal Parent Training Program (HOPE-20): Cluster Randomized Controlled Trial

ERIC Educational Resources Information Center

Leung, Cynthia; Tsang, Sandra; Kwan, H. W.

2017-01-01

Objective: This study examined the efficacy of Hands-On Parent Empowerment-20 (HOPE-20) program. Methods: Eligible participants were parents residing in Hong Kong with target children aged 2 years attending nursery schools. Cluster randomized control trial was adopted, with 10 schools (110 participants) assigned to intervention group and 8 schools…

Cosmic-Ray Feedback Heating of the Intracluster Medium

NASA Astrophysics Data System (ADS)

Ruszkowski, Mateusz; Yang, H.-Y. Karen; Reynolds, Christopher S.

2017-07-01

Active galactic nuclei (AGNs) play a central role in solving the decades-old cooling-flow problem. Although there is consensus that AGNs provide the energy to prevent catastrophically large star formation, one major problem remains: How is the AGN energy thermalized in the intracluster medium (ICM)? We perform a suite of three-dimensional magnetohydrodynamical adaptive mesh refinement simulations of AGN feedback in a cool core cluster including cosmic rays (CRs). CRs are supplied to the ICM via collimated AGN jets and subsequently disperse in the magnetized ICM via streaming, and interact with the ICM via hadronic, Coulomb, and streaming instability heating. We find that CR transport is an essential model ingredient at least within the context of the physical model considered here. When streaming is included, (I) CRs come into contact with the ambient ICM and efficiently heat it, (II) streaming instability heating dominates over Coulomb and hadronic heating, (III) the AGN is variable and the atmosphere goes through low-/high-velocity dispersion cycles, and, importantly, (IV) CR pressure support in the cool core is very low and does not demonstrably violate observational constraints. However, when streaming is ignored, CR energy is not efficiently spent on the ICM heating and CR pressure builds up to a significant level, creating tension with the observations. Overall, we demonstrate that CR heating is a viable channel for the AGN energy thermalization in clusters and likely also in ellipticals, and that CRs play an important role in determining AGN intermittency and the dynamical state of cool cores.

An active immune defense with a minimal CRISPR (clustered regularly interspaced short palindromic repeats) RNA and without the Cas6 protein.

PubMed

Maier, Lisa-Katharina; Stachler, Aris-Edda; Saunders, Sita J; Backofen, Rolf; Marchfelder, Anita

2015-02-13

The prokaryotic immune system CRISPR-Cas (clustered regularly interspaced short palindromic repeats-CRISPR-associated) is a defense system that protects prokaryotes against foreign DNA. The short CRISPR RNAs (crRNAs) are central components of this immune system. In CRISPR-Cas systems type I and III, crRNAs are generated by the endonuclease Cas6. We developed a Cas6b-independent crRNA maturation pathway for the Haloferax type I-B system in vivo that expresses a functional crRNA, which we termed independently generated crRNA (icrRNA). The icrRNA is effective in triggering degradation of an invader plasmid carrying the matching protospacer sequence. The Cas6b-independent maturation of the icrRNA allowed mutation of the repeat sequence without interfering with signals important for Cas6b processing. We generated 23 variants of the icrRNA and analyzed them for activity in the interference reaction. icrRNAs with deletions or mutations of the 3' handle are still active in triggering an interference reaction. The complete 3' handle could be removed without loss of activity. However, manipulations of the 5' handle mostly led to loss of interference activity. Furthermore, we could show that in the presence of an icrRNA a strain without Cas6b (Δcas6b) is still active in interference. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

The cosmological analysis of X-ray cluster surveys - I. A new method for interpreting number counts

NASA Astrophysics Data System (ADS)

Clerc, N.; Pierre, M.; Pacaud, F.; Sadibekova, T.

2012-07-01

We present a new method aimed at simplifying the cosmological analysis of X-ray cluster surveys. It is based on purely instrumental observable quantities considered in a two-dimensional X-ray colour-magnitude diagram (hardness ratio versus count rate). The basic principle is that even in rather shallow surveys, substantial information on cluster redshift and temperature is present in the raw X-ray data and can be statistically extracted; in parallel, such diagrams can be readily predicted from an ab initio cosmological modelling. We illustrate the methodology for the case of a 100-deg2XMM survey having a sensitivity of ˜10-14 erg s-1 cm-2 and fit at the same time, the survey selection function, the cluster evolutionary scaling relations and the cosmology; our sole assumption - driven by the limited size of the sample considered in the case study - is that the local cluster scaling relations are known. We devote special attention to the realistic modelling of the count-rate measurement uncertainties and evaluate the potential of the method via a Fisher analysis. In the absence of individual cluster redshifts, the count rate and hardness ratio (CR-HR) method appears to be much more efficient than the traditional approach based on cluster counts (i.e. dn/dz, requiring redshifts). In the case where redshifts are available, our method performs similar to the traditional mass function (dn/dM/dz) for the purely cosmological parameters, but constrains better parameters defining the cluster scaling relations and their evolution. A further practical advantage of the CR-HR method is its simplicity: this fully top-down approach totally bypasses the tedious steps consisting in deriving cluster masses from X-ray temperature measurements.

New atlas of open star clusters

NASA Astrophysics Data System (ADS)

Seleznev, Anton F.; Avvakumova, Ekaterina; Kulesh, Maxim; Filina, Julia; Tsaregorodtseva, Polina; Kvashnina, Alvira

2017-11-01

Due to numerous new discoveries of open star clusters in the last two decades, astronomers need an easy-touse resource to get visual information on the relative position of clusters in the sky. Therefore we propose a new atlas of open star clusters. It is based on a table compiled from the largest modern cluster catalogues. The atlas shows the positions and sizes of 3291 clusters and associations, and consists of two parts. The first contains 108 maps of 12 by 12 degrees with an overlapping of 2 degrees in three strips along the Galactic equator. The second one is an online web application, which shows a square field of an arbitrary size, either in equatorial coordinates or in galactic coordinates by request. The atlas is proposed for the sampling of clusters and cluster stars for further investigation. Another use is the identification of clusters among overdensities in stellar density maps or among stellar groups in images of the sky.

Spatial and temporal patterns of dengue infections in Timor-Leste, 2005-2013.

PubMed

Wangdi, Kinley; Clements, Archie C A; Du, Tai; Nery, Susana Vaz

2018-01-04

Dengue remains an important public health problem in Timor-Leste, with several major epidemics occurring over the last 10 years. The aim of this study was to identify dengue clusters at high geographical resolution and to determine the association between local environmental characteristics and the distribution and transmission of the disease. Notifications of dengue cases that occurred from January 2005 to December 2013 were obtained from the Ministry of Health, Timor-Leste. The population of each suco (the third-level administrative subdivision) was obtained from the Population and Housing Census 2010. Spatial autocorrelation in dengue incidence was explored using Moran's I statistic, Local Indicators of Spatial Association (LISA), and the Getis-Ord statistics. A multivariate, Zero-Inflated, Poisson (ZIP) regression model was developed with a conditional autoregressive (CAR) prior structure, and with posterior parameters estimated using Bayesian Markov chain Monte Carlo (MCMC) simulation with Gibbs sampling. The analysis used data from 3206 cases. Dengue incidence was highly seasonal with a large peak in January. Patients ≥ 14 years were found to be 74% [95% credible interval (CrI): 72-76%] less likely to be infected than those < 14 years, and females were 12% (95% CrI: 4-21%) more likely to suffer from dengue as compared to males. Dengue incidence increased by 0.7% (95% CrI: 0.6-0.8%) for a 1 °C increase in mean temperature; and 47% (95% CrI: 29-59%) for a 1 mm increase in precipitation. There was no significant residual spatial clustering after accounting for climate and demographic variables. Dengue incidence was highly seasonal and spatially clustered, with positive associations with temperature, precipitation and demographic factors. These factors explained the observed spatial heterogeneity of infection.

Application of the CC(P;Q) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer.

PubMed

Magoulas, Ilias; Bauman, Nicholas P; Shen, Jun; Piecuch, Piotr

2018-02-08

The performance of coupled-cluster approaches with higher-than-doubly excited clusters, including the CCSD(T), CCSD(2) T , CR-CC(2,3), CCSD(TQ), and CR-CC(2,4) corrections to CCSD, the active-space CCSDt, CCSDtq, and CCSDTq methods, and the CC(t;3), CC(t,q;3), CC(t,q;3,4), and CC(q;4) corrections to CCSDt, CCSDtq, and CCSDTq resulting from the CC(P;Q) formalism, in reproducing the CCSDT and CCSDTQ potential energy curves and vibrational term values characterizing Be 2 in its electronic ground state is assessed. The correlation-consistent aug-cc-pVnZ and aug-cc-pCVnZ (n = T and Q) basis sets are employed. Among the CCSD-based corrections, the completely renormalized CR-CC(2,3) and CR-CC(2,4) approaches perform the best. The CC(t;3), CC(t,q;3), CC(t,q;3,4), and CC(q;4) methods, especially CC(t;3) and CC(q;4), outperform other employed approaches in reproducing the CCSDT and CCSDTQ data. Composite schemes combining the all-electron CCSDT calculations extrapolated to the complete basis set limit with the frozen-core CC(q;4) and CCSDTQ computations using the aug-cc-pVTZ basis to account for connected quadruple excitations reproduce the latest experimental vibrational spectrum of Be 2 to within 4-5 cm -1 , when the vibrational spacings are examined, with typical errors being below 1-2 cm -1 . The resulting binding energies and equilibrium bond lengths agree with their experimentally derived counterparts to within ∼10 cm -1 and 0.01 Å.

Metabolome of Vanilla planifolia (Orchidaceae) and related species under Cymbidium mosaic virus (CymMV) infection.

PubMed

Palama, Tony Lionel; Grisoni, Michel; Fock-Bastide, Isabelle; Jade, Katia; Bartet, Laetitia; Choi, Young Hae; Verpoorte, Robert; Kodja, Hippolyte

2012-11-01

The genus Vanilla which belongs to the Orchidaceae family comprises more than 110 species of which two are commercially cultivated (Vanilla planifolia and Vanilla xtahitensis). The cured pods of these species are the source of natural vanilla flavor. In intensive cultivation systems the vines are threatened by viruses such as Cymbidium mosaic virus (CymMV). In order to investigate the effect of CymMV on the growth and metabolome of vanilla plants, four accessions grown in intensive cultivation systems under shadehouse, CR01 (V. planifolia), CR17 (V. xtahitensis), CR03 (V. planifolia × V. xtahitensis) and CR18 (Vanilla pompona), were challenged with an isolate of CymMV. CymMV infected plants of CR01, CR03 and CR17 had a reduced growth compared to healthy plants, while there was no significant difference in the growth of CR18 vines. Interestingly, CR18 had qualitatively more phenolic compounds in leaves and a virus titre that diminished over time. No differences in the metabolomic profiles of the shadehouse samples obtained by nuclear magnetic resonance (NMR) were observed between the virus infected vs. healthy plants. However, using in- vitro V. planifolia plants, the metabolomic profiles were affected by virus infection. Under these controlled conditions the levels of amino acids and sugars present in the leaves were increased in CymMV infected plants, compared to uninfected ones, whereas the levels of phenolic compounds and malic acid were decreased. The metabolism, growth and viral status of V. pompona accession CR18 contrasted from that of the other species suggesting the existence of partial resistance to CymMV in the vanilla germplasm. Copyright © 2012 Elsevier Masson SAS. All rights reserved.

Oxalato-bridged dinuclear complexes of Cr(III) and Fe(III): synthesis, structure, and magnetism of [(C2H5)4N]4[MM'(ox)(NCS)8] with MM' = CrCr, FeFe, and CrFe.

PubMed

Triki, S; Bérézovsky, F; Sala Pala, J; Coronado, E; Gómez-García, C J; Clemente, J M; Riou, A; Molinié, P

2000-08-21

A new series of homo- and heterometallic oxalato-bridged dinuclear compounds of formulas [Et4N]4[MM'(ox)(NCS)8] ([Et4N]+ = [(C2H5)4N]+; ox = C2O4(2-)) with MM' = Cr(III)-Cr(III) (1), Fe(III)-Fe(III) (2), and Cr(III)-Fe(III) (3) is reported. They have been structurally characterized by infrared spectra and single-crystal X-ray diffraction. The three compounds are isostructural and crystallize in the orthorhombic space group Cmca with Z = 8, a = 16.561(8) A, b = 13.481(7) A, and c = 28.168(8) A for 1, a = 16.515(2) A, b = 13.531(1) A, and c = 28.289(4) A for 2, a = 16.664(7) A, b = 13.575(6) A, and c = 28.386(8) A for 3. The structure of 3 is made up of a discrete dinuclear anion [CrFe(ox)(NCS)8]4- and four disordered [Et4N]+ cations, each of them located on special positions. The anion, in a crystallographically imposed C2h symmetry, contains metal cations in distorted octahedral sites. The Cr(ox)Fe group, which is planar within 0.02 A, presents an intramolecular metal-metal distance of 5.43 A. Magnetic susceptibility measurements indicate antiferromagnetic pairwise interactions for 1 and 2 with J = -3.23 and -3.84 cm-1, respectively, and ferromagnetic Cr-Fe coupling with J = 1.10 cm-1 for 3 (J being the parameter of the exchange Hamiltonian H = -2JS1S2). The ESR spectra at different temperatures confirm the magnetic susceptibility data.

Effect of Aging Treatment on the Formation of α Precipitates in β-Type Ti-6Mo-6V-5Cr-3Sn-2.5Zr Alloys

NASA Astrophysics Data System (ADS)

Choi, Gwanghyo; Lee, Kwangmin

2018-02-01

The microstructural evolution of a novel β-type Ti-6Mo-6V-5Cr-3Sn-2.5Zr (wt%) alloy subjected to different aging treatments was investigated. The normalized intensity of the α precipitates reached a peak value at 450 °C. A nanoscale orthorhombic phase was observed to coexist with α precipitates in the β matrix, which followed the Burgers orientation relation of <1120 >α//<111>β and {0001}α//{110}β. Fine α precipitates were formed with metastable O and β' phases, and the β phase was spinodally decomposed to β and β' phases. The maximum hardness value of the specimen was obtained after aging at 450 °C. Compositional partitioning of Mo, V, and Cr elements occurred with the depletion of fine acicular α precipitates upon aging 450 °C.

Effect of Aging Treatment on the Formation of α Precipitates in β-Type Ti-6Mo-6V-5Cr-3Sn-2.5Zr Alloys

NASA Astrophysics Data System (ADS)

Choi, Gwanghyo; Lee, Kwangmin

2018-05-01

The microstructural evolution of a novel β-type Ti-6Mo-6V-5Cr-3Sn-2.5Zr (wt%) alloy subjected to different aging treatments was investigated. The normalized intensity of the α precipitates reached a peak value at 450 °C. A nanoscale orthorhombic phase was observed to coexist with α precipitates in the β matrix, which followed the Burgers orientation relation of <1120>α//<111>β and {0001}α//{110}β. Fine α precipitates were formed with metastable O and β' phases, and the β phase was spinodally decomposed to β and β' phases. The maximum hardness value of the specimen was obtained after aging at 450 °C. Compositional partitioning of Mo, V, and Cr elements occurred with the depletion of fine acicular α precipitates upon aging 450 °C.

Effluent concentration and removal efficiency of nine heavy metals in secondary treatment plants in Shanghai, China.

PubMed

Feng, Jingjing; Chen, Xiaolin; Jia, Lei; Liu, Qizhen; Chen, Xiaojia; Han, Deming; Cheng, Jinping

2018-04-10

Wastewater treatment plants (WWTPs) are the most common form of industrial and municipal wastewater control. To evaluate the performance of wastewater treatment and the potential risk of treated wastewater to aquatic life and human health, the influent and effluent concentrations of nine toxic metals were determined in 12 full-scale WWTPs in Shanghai, China. The performance was evaluated based on national standards for reclamation and aquatic criteria published by US EPA, and by comparison with other full-scale WWTPs in different countries. Potential sources of heavy metals were recognized using partial correlation analysis, hierarchical clustering, and principal component analysis (PCA). Results indicated significant treatment effect on As, Cd, Cr, Cu, Hg, Mn, Pb, and Zn. The removal efficiencies ranged from 92% (Cr) to 16.7% (Hg). The results indicated potential acute and/or chronic effect of Cu, Ni, Pb, and Zn on aquatic life and potential harmful effect of As and Mn on human health for the consumption of water and/or organism. The results of partial correlation analysis, hierarchical clustering based on cosine distance, and PCA, which were consistent with each other, suggested common source of Cd, Cr, Cu, and Pb and common source of As, Hg, Mn, Ni, and Zn. Hierarchical clustering based on Jaccard similarity suggested common source of Cd, Hg, and Ni, which was statistically proved by Fisher's exact test.

Radiation-induced segregation on defect clusters in single-phase concentrated solid-solution alloys

DOE PAGES

Lu, Chenyang; Yang, Taini; Jin, Ke; ...

2017-01-12

A group of single-phase concentrated solid-solution alloys (SP-CSAs), including NiFe, NiCoFe, NiCoFeCr, as well as a high entropy alloy NiCoFeCrMn, was irradiated with 3 MeV Ni 2+ ions at 773 K to a fluence of 5 10 16 ions/cm 2 for the study of radiation response with increasing compositional complexity. Advanced transmission electron microscopy (TEM) with electron energy loss spectroscopy (EELS) was used to characterize the dislocation loop distribution and radiation-induced segregation (RIS) on defect clusters in the SP-CSAs. The results show that a higher fraction of faulted loops exists in the more compositionally complex alloys, which indicate that increasingmore » compositional complexity can extend the incubation period and delay loop growth. The RIS behaviors of each element in the SP-CSAs were observed as follows: Ni and Co tend to enrich, but Cr, Fe and Mn prefer to deplete near the defect clusters. RIS level can be significantly suppressed by increasing compositional complexity due to the sluggish atom diffusion. According to molecular static (MS) simulations, disk like segregations may form near the faulted dislocation loops in the SP-CSAs. Segregated elements tend to distribute around the whole faulted loop as a disk rather than only around the edge of the loop.« less

Low Cryptococcus Antigen Titers as Determined by Lateral Flow Assay Should Be Interpreted Cautiously in Patients without Prior Diagnosis of Cryptococcal Infection.

PubMed

Dubbels, Marie; Granger, Dane; Theel, Elitza S

2017-08-01

Detection of Cryptococcus antigen (CrAg) is invaluable for establishing cryptococcal disease. Multiple different methods for CrAg detection are available, including a lateral flow assay (LFA). Despite excellent performance of the CrAg LFA, we have observed multiple cases of low-titer (≤1:5) positive CrAg LFA results in patients for whom cryptococcosis was ultimately excluded. To investigate the accuracy of low-titer positive CrAg LFA results, we performed chart reviews for all patients with positive CrAg LFA results between June 2014 and December 2016. During this period, serum and/or cerebrospinal fluid (CSF) samples from 3,969 patients were tested with the CrAg LFA, and 55 patients (1.5%) tested positive. Thirty-eight of those patients lacked a history of cryptococcal disease and were the focus of this study. Fungal culture or histopathology confirmed Cryptococcus infection for 20 patients (52.6%), and CrAg LFA titers in serum and CSF samples ranged from 1:5 to ≥1:2,560. For the 18 patients (47.4%) without culture or histopathological confirmation, the CrAg LFA results were considered true-positive results for 5 patients (titer range, 1:10 to ≥1:2,560), due to clinical improvement with targeted therapy and decreasing CrAg LFA titers. The remaining 13 patients had CrAg LFA titers of 1:2 ( n = 11) or 1:5 ( n = 2) and were ultimately diagnosed with an alternative condition ( n = 11) or began therapy for possible cryptococcosis without improvement ( n = 2), leading to an overall CrAg LFA false-positive rate of 34%. We recommend careful clinical correlation prior to establishing a diagnosis of cryptococcal infection for patients with first-time positive CrAg LFA titers of 1:2. Copyright © 2017 American Society for Microbiology.

VizieR Online Data Catalog: Globular and open clusters observed by SDSS/SEGUE (Morrison+, 2016)

NASA Astrophysics Data System (ADS)

Morrison, H. L.; Ma, Z.; Clem, J. L.; An, D.; Connor, T.; Schechtman-Rook, A.; Casagrande, L.; Rockosi, C.; Yanny, B.; Harding, P.; Beers, T. C.; Johnson, J. A.; Schneider, D. P.

2018-03-01

The SEGUE project observed a number of globular and open clusters for calibration purposes. For calibration of the red giants, we selected the globular clusters M92, M13 and M71 (spanning metallicities from -2.4 to -0.8) and the open clusters Be 29, NGC 7789 and NGC 6791, whose [Fe/H] values range from -0.4 to +0.4. In all but one case, the clusters are within the SDSS footprint and so ugriz photometry is available for the cluster stars. The SDSS cluster images were analyzed using DAOPHOT (Stetson 1987PASP...99..191S) by An et al. (2008ApJS..179..326A) because the SDSS photometric pipeline was not designed to handle crowded fields. (8 data files).

Electrical transport properties in Fe-Cr nanocluster-assembled granular films

NASA Astrophysics Data System (ADS)

Wang, Xiong-Zhi; Wang, Lai-Sen; Zhang, Qin-Fu; Liu, Xiang; Xie, Jia; Su, A.-Mei; Zheng, Hong-Fei; Peng, Dong-Liang

2017-09-01

The Fe100-xCrx nanocluster-assembled granular films with Cr atomic fraction (x) ranging from 0 to 100 were fabricated by using a plasma-gas-condensation cluster deposition system. The TEM characterization revealed that the uniform Fe clusters were coated with a Cr layer to form a Fe-Cr core-shell structure. Then, the as-prepared Fe100-xCrx nanoclusters were randomly assembled into a granular film in vacuum environments with increasing the deposition time. Because of the competition between interfacial resistance and shunting effect of Cr layer, the room temperature resistivity of the Fe100-xCrx nanocluster-assembled granular films first increased and then decreased with increasing the Cr atomic fraction (x), and revealed a maximum of 2 × 104 μΩ cm at x = 26 at.%. The temperature-dependent longitudinal resistivity (ρxx), magnetoresistance (MR) effect and anomalous Hall effect (AHE) of these Fe100-xCrx nanocluster-assembled granular films were also studied systematically. As the x increased from 0 to 100, the ρxx of all samples firstly decreased and then increased with increasing the measuring temperature. The dependence of ρxx on temperature could be well addressed by a mechanism incorporated for the fluctuation-induced-tunneling (FIT) conduction process and temperature-dependent scattering effect. It was found that the anomalous Hall effect (AHE) had no legible scaling relation in Fe100-xCrx nanocluster-assembled granular films. However, after deducting the contribution of tunneling effect, the scaling relation was unambiguous. Additionally, the Fe100-xCrx nanocluster-assembled granular films revealed a small negative magnetoresistance (MR), which decreased with the increase of x. The detailed physical mechanism of the electrical transport properties in these Fe100-xCrx nanocluster-assembled granular films was also studied.

Highly dynamically evolved intermediate-age open clusters

NASA Astrophysics Data System (ADS)

Piatti, Andrés E.; Dias, Wilton S.; Sampedro, Laura M.

2017-04-01

We present a comprehensive UBVRI and Washington CT1T2 photometric analysis of seven catalogued open clusters, namely: Ruprecht 3, 9, 37, 74, 150, ESO 324-15 and 436-2. The multiband photometric data sets in combination with 2MASS photometry and Gaia astrometry for the brighter stars were used to estimate their structural parameters and fundamental astrophysical properties. We found that Ruprecht 3 and ESO 436-2 do not show self-consistent evidence of being physical systems. The remained studied objects are open clusters of intermediate age (9.0 ≤ log(t yr-1) ≤ 9.6), of relatively small size (rcls ˜ 0.4-1.3 pc) and placed between 0.6 and 2.9 kpc from the Sun. We analysed the relationships between core, half-mass, tidal and Jacoby radii as well as half-mass relaxation times to conclude that the studied clusters are in an evolved dynamical stage. The total cluster masses obtained by summing those of the observed cluster stars resulted to be ˜10-15 per cent of the masses of open clusters of similar age located closer than 2 kpc from the Sun. We found that cluster stars occupy volumes as large as those for tidally filled clusters.

A Chandra X-ray census of the interacting binaries in old open clusters - NGC 188

NASA Astrophysics Data System (ADS)

Vats, Smriti; Van Den Berg, Maureen

2017-01-01

We present a new X-ray study of NGC 188, one of the oldest open clusters known in the Milky Way (7 Gyr). Our X-ray observation using the Chandra X-ray Observatory is aimed at uncovering the population of close interacting binaries in the cluster. We detect 84 X-ray sources with a limiting X-ray luminosity, LX ~ 4×1029 erg s-1 (0.3-7 keV), of which 28 are within the half-mass radius. Of these, 13 are proper-motion or radial-velocity cluster members, wherein we identify a mix of active binaries (ABs) and blue straggler stars (BSSs). We also identify one tentative cataclysmic variable (CV) candidate which is a known short-period photometric variable, but whose membership to NGC 188 is unknown. We have compared the X-ray luminosity per unit of cluster mass (i.e. the X-ray emissivity) of NGC 188 with those of other old Galactic open clusters and dense globular clusters (47 Tuc, NGC 6397). Our findings confirm the earlier result that old open clusters have higher X-ray emissivities than the globular clusters (LX ≥1×1030 erg s-1). This may be explained by dynamical encounters in globulars, which could have a net effect of destroying binaries, or the typically higher metallicities of open clusters. We find one intriguing X-ray source in NGC 188 that is a BSS and cluster member, whose X-ray luminosity cannot be explained by its currently understood binary configuration. Its X-ray detection invokes the need for a third companion in the system.

Opto-chemical response of CR-39 and polystyrene to swift heavy ion irradiation

NASA Astrophysics Data System (ADS)

Singh, Lakhwant; Singh Samra, Kawaljeet; Singh, Ravinder

2007-02-01

The samples of CR-39 and polystyrene (PS) polymers have been irradiated with 64Cu 9+ (120 MeV) and 12C 5+ (70 MeV) ion beams having fluence ranging from 1 × 10 11 to 1 × 10 13 ions/cm -2. UV spectra of irradiated samples reveal that the optical band gap decreases from 5.50 to 2.75 eV in CR-39 and from 4.36 to 1.73 eV in PS. The correlation between optical band gap and the number of carbon atoms in a cluster with modified Tauc's equation has been discussed in case of CR-39. FTIR spectra reveal that there is the formation of hydroxyl, alkene, alkyne and carboxylic groups in the Cu-ion irradiated PS. In CR-39, changes in the intensity of the bands on irradiation relative to pristine samples without appearance of any new band have been observed and discussed.

Health risk assessment of heavy metals in soils and vegetables from wastewater irrigated area, Beijing-Tianjin city cluster, China.

PubMed

Wang, Yanchun; Qiao, Min; Liu, Yunxia; Zhu, Yongguan

2012-01-01

The possible health risks of heavy metals contamination to local population through food chain were evaluated in Beijing and Tianjin city cluster, China, where have a long history of sewage irrigation. The transfer factors (TF) for heavy metals from soil to vegetables for six elements including Cu, Zn, Pb, Cr, As and Cd were calculated and the pollution load indexes (PLI) were also assessed. Results indicate that only Cd exceeded the maximum acceptable limit in these sites. So far, the heavy metal concentrations in soils and vegetables were all below the permissible limits set by the Ministry of Environmental Protection of China and World Health Organization. The transfer factors of six heavy metals showed the trend as Cd > Zn > Cu > Pb > As > Cr, which were dependent on the vegetable species. The estimated dietary intakes of Cu, Zn, Pb, Cr, As and Cd were far below the tolerable limits and the target hazard quotient (THQ) values were less than 1, which suggested that the health risks of heavy metals exposure through consuming vegetables were generally assumed to be safe.

Factors Affecting Impact Toughness in Stabilized Intermediate Purity 21Cr Ferritic Stainless Steels and Their Simulated Heat-Affected Zones

NASA Astrophysics Data System (ADS)

Anttila, Severi; Alatarvas, Tuomas; Porter, David A.

2017-12-01

The correlation between simulated weld heat-affected zone microstructures and toughness parameters has been investigated in four intermediate purity 21Cr ferritic stainless steels stabilized with titanium and niobium either separately or in combination. Extensive Charpy V impact toughness testing was carried out followed by metallography including particle analysis using electron microscopy. The results confirmed that the grain size and the number density of particle clusters rich in titanium nitride and carbide with an equivalent circular diameter of 2 µm or more are statistically the most critical factors influencing the ductile-to-brittle transition temperature. Other inclusions and particle clusters, as well as grain boundary precipitates, are shown to be relatively harmless. Stabilization with niobium avoids large titanium-rich inclusions and also suppresses excessive grain growth in the heat-affected zone when reasonable heat inputs are used. Thus, in order to maximize the limited heat-affected zone impact toughness of 21Cr ferritic stainless steels containing 380 to 450 mass ppm of interstitials, the stabilization should be either titanium free or the levels of titanium and nitrogen should be moderated.

An open cluster-randomized, 18-month trial to compare the effectiveness of educational outreach visits with usual guideline dissemination to improve family physician prescribing

PubMed Central

2014-01-01

Background The Portuguese National Health Directorate has issued clinical practice guidelines on prescription of anti-inflammatory drugs, acid suppressive therapy, and antiplatelets. However, their effectiveness in changing actual practice is unknown. Methods The study will compare the effectiveness of educational outreach visits regarding the improvement of compliance with clinical guidelines in primary care against usual dissemination strategies. A cost-benefit analysis will also be conducted. We will carry out a parallel, open, superiority, randomized trial directed to primary care physicians. Physicians will be recruited and allocated at a cluster-level (primary care unit) by minimization. Data will be analyzed at the physician level. Primary care units will be eligible if they use electronic prescribing and have at least four physicians willing to participate. Physicians in intervention units will be offered individual educational outreach visits (one for each guideline) at their workplace during a six-month period. Physicians in the control group will be offered a single unrelated group training session. Primary outcomes will be the proportion of cyclooxygenase-2 inhibitors prescribed in the anti-inflammatory class, and the proportion of omeprazole in the proton pump inhibitors class at 18 months post-intervention. Prescription data will be collected from the regional pharmacy claims database. We estimated a sample size of 110 physicians in each group, corresponding to 19 clusters with a mean size of 6 physicians. Outcome collection and data analysis will be blinded to allocation, but due to the nature of the intervention, physicians and detailers cannot be blinded. Discussion This trial will attempt to address unresolved issues in the literature, namely, long term persistence of effect, the importance of sequential visits in an outreach program, and cost issues. If successful, this trial may be the cornerstone for deploying large scale educational outreach programs within the Portuguese National Health Service. Trial registration ClinicalTrials.gov number NCT01984034. PMID:24423370

Photometry of Standard Stars and Open Star Clusters

NASA Astrophysics Data System (ADS)

Jefferies, Amanda; Frinchaboy, Peter

2010-10-01

Photometric CCD observations of open star clusters and standard stars were carried out at the McDonald Observatory in Fort Davis, Texas. This data was analyzed using aperture photometry algorithms (DAOPHOT II and ALLSTAR) and the IRAF software package. Color-magnitude diagrams of these clusters were produced, showing the evolution of each cluster along the main sequence.

A preliminary comparison of photometric (MWSC) and trigonometric (TGAS) distances of open cluster stars

NASA Astrophysics Data System (ADS)

Kovaleva, Dana; Piskunov, Anatoly; Kharchenko, Nina; Scholz, Ralf-Dieter

2017-12-01

The goal of this researchwas to compare the open cluster photometric distance scale of the global survey of star clusters in the MilkyWay (MWSC) with the distances derived fromtrigonometric parallaxes fromthe Gaia DR1/TGAS catalogue and to investigate towhich degree and extent both scales agree.We compared the parallax-based and photometrybased distances of 5743 cluster stars selected as members of 1118 clusters based on their kinematic and photometric MWSC membership probabilities. We found good overall agreement between trigonometric and photometric distances of open cluster stars. The residuals between them were small and unbiased up to log(d, [pc]) ≈ 2.8. If we considered only the most populated clusters and used cluster distances obtained from the mean trigonometric parallax of their MWSC members, the good agreement of the distance scales continued up to log(d, [pc]) ≈ 3.3.

Intradialytic creatine supplementation: A scientific rationale for improving the health and quality of life of dialysis patients.

PubMed

Wallimann, Theo; Riek, Uwe; Möddel, Michael

2017-02-01

The CK/PCr-system, with creatine (Cr) as an energy precursor, plays a crucial role in cellular physiology. In the kidney, as in other organs and cells with high and fluctuating energy requirements, energy-charged phospho-creatine (PCr) acts as an immediate high-energy source and energy buffer, and as an intracellular energy transport vehicle. A maximally filled total Cr (Cr plus PCr) pool is a prerequisite for optimal functioning of the body and its organs, and health. Skeletal- and cardiac muscles of dialysis patients with chronic kidney disease (CKD) are depleted of Cr in parallel with the duration of dialysis. The accompanying accumulation of cellular damage seen in CKD patients lead to a deterioration of musculo-skeletal and neurological functioning and poor quality of life (QOL). Therefore, to counteract Cr depletion, it is proposed to supplement CKD patients with Cr. The anticipated benefits include previously documented improvements in the musculo-skeletal system, brain and peripheral nervous system, as well as improvements in the common comorbidities of CKD patients (see below). Thus, with a relatively simple, safe and inexpensive Cr supplementation marked improvements in quality of life (QOL) and life span are likely reached. To avoid Cr and fluid overload by oral Cr administration, we propose intradialytic Cr supplementation, whereby a relatively small amount of Cr is added to the large volume of dialysis solution to a final concentration of 1-10mM. From there, Cr enters the patient's circulation by back diffusion during dialysis. Because of the high affinity of the Cr transporter (CRT) for Cr affinity for Cr (Vmax of CRT for Cr=20-40μM Cr), Cr is actively transported from the blood stream into the target cells and organs, including skeletal and cardiac muscle, brain, proximal tubules of kidney epithelial cells, neurons, and leukocytes and erythrocytes, which all express CRT and depend on the CK/PCr system. By this intradialytic strategy, only as much Cr is taken up by the body as is needed to fill the tissue Cr pools and no excess Cr has to be excreted, as is the case with oral Cr. Because aqueous solutions of Cr are not very stable, Cr must be added immediately before dialysis either as solid Cr powder or from a frozen Cr stock solution to the dialysate, or alternatively, Cr could become an additional component of a novel dry dialysate mixture in a cartridge device. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Chromium and iron content in duplicate meals at a university residence: daily intake and dialysability.

PubMed

Cabrera-Vique, Carmen; Mesías, Marta

2011-05-01

The objective of the present study was to determine total Cr and Fe content and the corresponding mineral dialysable fraction in a total of sixty-three duplicate meals. Samples of breakfast, lunch and dinner were taken over twenty-one consecutive days at a female university residence in Granada (Spain). Cr content in the duplicate daily meals ranged from 98·50 to 120·80 μg, with a mean of 110·00 μg, and Fe levels ranged from 9·50 to 40·00 mg, with a mean content of 18·50 mg. The mean Cr and Fe dialysable fractions ranged from 0·50 to 1·50 % and from 7·75 to 11·80 %, respectively. Possible correlations with energy and other nutrient intakes were also evaluated. Adherence of the meals to the Mediterranean dietary patterns was tested, and these findings reveal that a balanced and varied diet based on a Mediterranean-style diet plan provides adequate levels and bioaccessibility of Cr and Fe for young women, which is especially important to avoid mineral deficiencies.

Epitaxial Fe16N2 thin film on nonmagnetic seed layer

NASA Astrophysics Data System (ADS)

Hang, Xudong; Zhang, Xiaowei; Ma, Bin; Lauter, Valeria; Wang, Jian-Ping

2018-05-01

Metastable α″ -Fe16N2 has attracted much interest as a candidate for rare-earth-free hard magnetic materials. We demonstrate that Fe16N2 thin films were grown epitaxially on Cr seed layers with MgO (001) substrates by facing-target sputtering. Good crystallinity with the epitaxial relation MgO (001 )[110 ] ∥ Cr (001 )[100 ] ∥ Fe16N2 (001 )[100 ] was obtained. The chemical order parameter, which quantifies the degree of N ordering in the Fe16N2 (the N-disordered phase is α' -Fe8N martensite), reaches 0.75 for Cr-seeded samples. Cr has a perfect lattice constant match with Fe16N2, and no noticeable strain can be assigned to Fe16N2. The intrinsic saturation magnetization of this non-strained Fe16N2 thin film at room temperature is determined to be 2.31 T by polarized neutron reflectometry and confirmed with vibrating sample magnetometry. Our work provides a platform to directly study the magnetic properties of high purity Fe16N2 films with a high order parameter.

VizieR Online Data Catalog: Proper motions of PM2000 open clusters (Krone-Martins+, 2010)

NASA Astrophysics Data System (ADS)

Krone-Martins, A.; Soubiran, C.; Ducourant, C.; Teixeira, R.; Le Campion, J. F.

2010-04-01

We present lists of proper-motions and kinematic membership probabilities in the region of 49 open clusters or possible open clusters. The stellar proper motions were taken from the Bordeaux PM2000 catalogue. The segregation between cluster and field stars and the assignment of membership probabilities was accomplished by applying a fully automated method based on parametrisations for the probability distribution functions and genetic algorithm optimisation heuristics associated with a derivative-based hill climbing algorithm for the likelihood optimization. (3 data files).

VizieR Online Data Catalog: Shape parameters for 154 Galactic open clusters (Zhai+, 2017)

NASA Astrophysics Data System (ADS)

Zhai, M.; Abt, H.; Zhao, G.; Li, C.

2017-06-01

The data used are from database WEBDA (http://www.univie.ac.at/webda/). We have found 946 open clusters with equatorial coordinates for each cluster member. Since cluster members are easily contaminated by field stars, we have only adopted stars with membership probabilities higher than 70% as cluster members. It is rarely possible to determine a cluster's shape with a small number of members, so we have only considered relatively richer clusters, which host more than 20 of the most probable member stars. After these selections, there are 154 clusters left. (1 data file).

Iodine deficiency during pregnancy: a national cross-sectional survey in Latvia.

PubMed

Konrade, Ilze; Kalere, Ieva; Strele, Ieva; Makrecka-Kuka, Marina; Jekabsone, Anna; Tetere, Elina; Veisa, Vija; Gavars, Didzis; Rezeberga, Dace; Pīrāgs, Valdis; Lejnieks, Aivars; Dambrova, Maija

2015-11-01

Low iodine intake during pregnancy may cause thyroid dysfunction, which results in inadequate fetal brain development. In the absence of a universal salt iodization programme, we conducted a nationwide survey of iodine deficiency in pregnant women in Latvia. A countrywide twenty-cluster survey, with at least twenty women per cluster. Participants completed a questionnaire on dietary habits concerning iodine intake (n 739). Thyroid function (thyroid-stimulating hormone, free thyroxine and thyroperoxidase antibodies) was measured (n 550). Urinary iodine was measured using the ammonium persulfate method (n 696). The survey was performed in all regions of Latvia during the spring and autumn seasons in 2013. Pregnant women (n 829). The median creatinine (Cr)-standardized urinary iodine concentration (UIC) was 80·8 (interquartile range (IQR) 46·1-130·6) µg/g Cr or 69·4 (IQR 53·9-92·6) µg/l during pregnancy, and 81% of pregnant women had UIC levels below the WHO recommended range of 150-250 µg/g Cr. The UIC was lowest during the first trimester of pregnancy, 56·0 (IQR 36·4-100·6) µg/g Cr, reaching higher concentrations of 87·5 (IQR 46·4-141·7) µg/g Cr and 86·9 (IQR 53·8-140·6) µg/g Cr in the second and third trimesters, respectively. Women taking supplements containing ≥150 µg iodine (6·8% of respondents) had non-significantly higher UIC than did women without supplementation (96·2 v. 80·3 µg/g Cr, respectively, P=NS). Thyroperoxidase antibody concentration did not correlate significantly with UIC: Spearman's ρ=-0·012, P=0·78. The median UIC indicates iodine deficiency in pregnant women in Latvia. Iodine supplementation (150 µg daily) and regular UIC monitoring should be suggested to overcome iodine deficiency and to reach the recommended levels without inducing autoimmune processes.

Update of membership and mean proper motion of open clusters from UCAC5 catalog

NASA Astrophysics Data System (ADS)

Dias, W. S.; Monteiro, H.; Assafin, M.

2018-06-01

We present mean proper motions and membership probabilities of individual stars for optically visible open clusters, which have been determined using data from the UCAC5 catalog. This follows our previous studies with the UCAC2 and UCAC4 catalogs, but now using improved proper motions in the GAIA reference frame. In the present study results were obtained for a sample of 1108 open clusters. For five clusters, this is the first determination of mean proper motion, and for the whole sample, we present results with a much larger number of identified astrometric member stars than on previous studies. It is the last update of our Open cluster Catalog based on proper motion data only. Future updates will count on astrometric, photometric and spectroscopic GAIA data as input for analyses.

The Open Cluster Chemical Abundances and Mapping (OCCAM) Survey: Optical Extension for Neutron Capture Elements

NASA Astrophysics Data System (ADS)

Melendez, Matthew; O'Connell, Julia; Frinchaboy, Peter M.; Donor, John; Cunha, Katia M. L.; Shetrone, Matthew D.; Majewski, Steven R.; Zasowski, Gail; Pinsonneault, Marc H.; Roman-Lopes, Alexandre; Stassun, Keivan G.; APOGEE Team

2017-01-01

The Open Cluster Chemical Abundance & Mapping (OCCAM) survey is a systematic survey of Galactic open clusters using data primarily from the SDSS-III/APOGEE-1 survey. However, neutron capture elements are very limited in the IR region covered by APOGEE. In an effort to fully study detailed Galactic chemical evolution, we are conducting a high resolution (R~60,000) spectroscopic abundance analysis of neutron capture elements for OCCAM clusters in the optical regime to complement the APOGEE results. As part of this effort, we present Ba II, La II, Ce II and Eu II results for a few open clusters without previous abundance measurements using data obtained at McDonald Observatory with the 2.1m Otto Struve telescope and Sandiford Echelle Spectrograph.This work is supported by an NSF AAG grant AST-1311835.

Annual changes and seasonal variations of Cr in Jiaozhou Bay

NASA Astrophysics Data System (ADS)

Yang, Dongfang; Haixia, Li; Zhang, Longlei; Li, Jiangmin; Nan, Nan

2017-04-01

Many bays have been polluted by Cr due to the rapid increasing of industry, hence understanding the temporal change trends and seasonal patterns is essential to pollution control and environmental remediation. Jiaozhou Bay is a semi-closed bay located in Shandong Province, China. This paper analyzed the annual changes and seasonal variations of Cr in Jiaozhou Bay in 1979-1983. Results showed that for annual changes, Cr contents were showing decreasing trend. For seasonal variations, Cr contents were in order of spring > summer > autumn. In generally, the pollution level of Cr contents in the early stage of China’s Reform and Opening-up was still low. These results were meaningful as basic information for pollution control and environmental remediation in this Bay.

Adsorption and diffusion of atomic oxygen and sulfur at pristine and doped Ni surfaces with implications for stress corrosion cracking

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

Alexandrov, Vitaly; Sushko, Maria L.; Schreiber, Daniel K.

A density-functional-theory modeling study of atomic oxygen/sulfur adsorption and diffusion at pristine and doped Ni(111) and (110) surfaces is presented. We find that oxygen and sulfur feature comparable adsorption energies over the same surface sites, however, the surface diffusion of sulfur is characterized by an activation barrier about one half that of oxygen. Calculations with different alloying elements at Ni surfaces show that Cr strongly enhances surface binding of both species in comparison to Al. These results in combination with previous modeling studies help explain the observed differences in selective grain boundary oxidation mechanisms of Ni-Cr and Ni-Al alloys.

Looking for Interacting Binaries in Old Open Clusters

NASA Technical Reports Server (NTRS)

Grindley, Jonathan

2005-01-01

We requested a 12 ks observation of the old open cluster NGC7142 with the aim to investigate the population of interacting binaries, and compare the properties with those of interacting binaries in other old open clusters. Unfortunately, the observation suffered from long periods of background flaring, and as a result the effective exposure time was shortened to only approximately 25% of the planned exposure. The sensitivity to detect sources in the cluster was therefore much reduced, hampering a useful comparison with other clusters observed with Chandra and XMM. We detect 5 sources (all less than 300 counts) in the full field of view of the detectors; based on the large separations from the cluster center, we expect that at least 3-4 are not associated with the cluster. A brief paper that reports the results is in preparation.

Determining the Ages and Distances of 4 Open Clusters

NASA Astrophysics Data System (ADS)

Sawczynec, Erica A.; James D. Armstrong, Joe M. Ritter, Jeff Kuhn

2018-01-01

The study of nearby young open clusters can give insight into star formation and potentially the local rate of metal enrichment. Presented is a BVRI photometric analysis of 4 open clusters; NGC 2509, NGC 2483, NGC 2482, and NGC 6705, in order to reevaluate previously published ages and distances using modern CCD photometry, and newer stellar models. Observations were obtained from the Cerro Tololo node of the Las Cumbres Observatory 1.0 meter network. Color magnitude diagrams were compared to modeled isochrones and the updated ages and distances determined. An interesting stellar association was found in the color magnitude diagram of NGC 6705. The structure is suggestive of two epochs of stellar formation. Members of this structure were evaluated using the Gaia Archive in order to explore the possibility of a heterogeneous population. The status of NGC 2483 as an open cluster has been debated; however, it has been noted that there is a high concentration of Be stars found in the region. It is concluded that NGC 2483 is an open cluster.

Crystal structure of cis-aqua­chlorido­bis­(1,10-phenanthroline-κ2 N,N′)chromium(III) tetra­chlorido­zincate monohydrate from synchrotron data

PubMed Central

Moon, Dohyun; Choi, Jong-Ha

2015-01-01

The structure of the title compound, [CrCl(C12H8N2)2(H2O)][ZnCl4]·H2O, has been determined from synchrotron data. The CrIII ion is bonded to four N atoms from two 1,10-phenanthroline (phen) ligands, one water mol­ecule and a Cl atom in a cis arrangement, displaying an overall distorted octa­hedral coordination environment. The Cr—N(phen) bond lengths are in the range of 2.0495 (18) to 2.0831 (18) Å, while the Cr—Cl and Cr—(OH2) bond lengths are 2.2734 (7) and 1.9986 (17) Å, respectively. The tetra­hedral [ZnCl4]2− anion is slightly distorted owing to its involvement in O—H⋯Cl hydrogen bonding with coordinating and non-coordinating water mol­ecules. The two types of water mol­ecules also inter­act through O—H⋯O hydrogen bonds. The observed hydrogen-bonding pattern leads to the formation of a three-dimensional network structure. PMID:25844190

Coadsorption and subsequent redox conversion behaviors of As(III) and Cr(VI) on Al-containing ferrihydrite.

PubMed

Ding, Zecong; Fu, Fenglian; Dionysiou, Dionysios D; Tang, Bing

2018-04-01

Naturally occurring ferrihydrite often contains various impurities, and Al is one of the most prominent impurities. However, little is known about how these impurities impact the physical and chemical properties of ferrihydrite with respect to metal(loid) adsorption. In this study, a series of Al-containing ferrihydrites were synthesized and exposed to a mixed solution containing As(III) and Cr(VI). The results showed that the two contaminants can be quickly adsorbed onto the surface of Al-containing ferrihydrite under acidic and neutral conditions. With the increase of Al molar percentage in ferrihydrites from 0 to 30, the adsorption capacity of As(III) decreased, whereas it increased for Cr(VI). On the other hand, with the increase of pH value from 3.0 to 11.0, the decreasing rate of As(III) was accelerated first, then slowed down, whereas the Cr(VI) decreasing rate slowed down dramatically. X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET) analysis method, transmission electron microscopy (TEM) analysis, energy dispersive spectroscopy (EDS) mapping, Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR), and X-ray photoelectron spectroscopy (XPS) were employed to characterize Al-containing ferrihydrite. Interestingly, it was found that the redox transformation occurred between As(III) and Cr(VI) after the two contaminants were coadsorbed onto the surface of Al-containing ferrihydrite. The oxidation of As(III) to As(V) and reduction of Cr(VI) to Cr(III) would greatly lower the environmental hazard of the As(III) and Cr(VI). Copyright © 2018 Elsevier Ltd. All rights reserved.

On the assessment of the nature of open star clusters and the determination of their basic parameters with limited data

NASA Astrophysics Data System (ADS)

Carraro, Giovanni; Baume, Gustavo; Seleznev, Anton F.; Costa, Edgardo

2017-07-01

Our knowledge of stellar evolution and of the structure and chemical evolution of the Galactic disk largely builds on the study of open star clusters. Because of their crucial role in these relevant topics, large homogeneous catalogues of open cluster parameters are highly desirable. Although efforts have been made to develop automatic tools to analyse large numbers of clusters, the results obtained so far vary from study to study, and sometimes are very contradictory when compared to dedicated studies of individual clusters. In this work we highlight the common causes of these discrepancies for some open clusters, and show that at present dedicated studies yield a much better assessment of the nature of star clusters, even in the absence of ideal data-sets. We make use of deep, wide-field, multi-colour photometry to discuss the nature of six strategically selected open star clusters: Trumpler 22, Lynga 6, Hogg 19, Hogg 21, Pismis 10 and Pismis 14. We have precisely derived their basic parameters by means of a combination of star counts and photometric diagrams. Trumpler 22 and Lynga 6 are included in our study because they are widely known, and thus provided a check of our data and methodology. The remaining four clusters are very poorly known, and their available parameters have been obtained using automatic tools only. Our results are in some cases in severe disagreement with those from automatic surveys.

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

Marquis, Emmanuelle; Wirth, Brian; Was, Gary

Ferritic/martensitic (FM) steels such as HT-9, T-91 and NF12 with chromium concentrations in the range of 9-12 at.% Cr and high Cr ferritic steels (oxide dispersion strengthened steels with 12-18% Cr) are receiving increasing attention for advanced nuclear applications, e.g. cladding and duct materials for sodium fast reactors, pressure vessels in Generation IV reactors and first wall structures in fusion reactors, thanks to their advantages over austenitic alloys. Predicting the behavior of these alloys under radiation is an essential step towards the use of these alloys. Several radiation-induced phenomena need to be taken into account, including phase separation, solute clustering,more » and radiation-induced segregation or depletion (RIS) to point defect sinks. RIS at grain boundaries has raised significant interest because of its role in irradiation assisted stress corrosion cracking (IASCC) and corrosion of structural materials. Numerous observations of RIS have been reported on austenitic stainless steels where it is generally found that Cr depletes at grain boundaries, consistently with Cr atoms being oversized in the fcc Fe matrix. While FM and ferritic steels are also subject to RIS at grain boundaries, unlike austenitic steels, the behavior of Cr is less clear with significant scatter and no clear dependency on irradiation condition or alloy type. In addition to the lack of conclusive experimental evidence regarding RIS in F-M alloys, there have been relatively few efforts at modeling RIS behavior in these alloys. The need for predictability of materials behavior and mitigation routes for IASCC requires elucidating the origin of the variable Cr behavior. A systematic detailed high-resolution structural and chemical characterization approach was applied to ion-implanted and neutron-irradiated model Fe-Cr alloys containing from 3 to 18 at.% Cr. Atom probe tomography analyses of the microstructures revealed slight Cr clustering and segregation to dislocations and grain boundaries in the ion-irradiated alloys. More significant segregation was observed in the neutron irradiated alloys. For the more concentrated alloys, irradiation did not affect existing Cr segregation to grain boundaries and segregation to dislocation loops was not observed perhaps due to a change in the dislocation loop structure with increasing Cr concentration. Precipitation of α’ was observed in the neutron irradiated alloys containing over 9 at.% Cr. However ion irradiation appears to suppress the precipitation process. Initial low dose ion irradiation experiments strongly suggest a cascade recoil effect. The systematic analysis of grain boundary orientation on Cr segregation was significantly challenged by carbon contamination during ion irradiation or by existing carbon and therefore carbide formation at grain boundaries (sensitization). The combination of the proposed systematic experimental approach with atomistic modeling of diffusion processes directly addresses the programmatic need for developing and benchmarking predictive models for material degradation taking into account atomistic kinetics parameters« less

Dolidze-35: Results for a Possible Open Cluster

NASA Astrophysics Data System (ADS)

Gulledge, Deborah J.; Borges, Richard A.; Juelfs, Elizabeth; Allyn Smith, J.; Olive, Mary E.; McDonald, Christopher P.; Williams, Sarah M.; Cohen, Eden M.; Gawel, Jason D.; McCole, Bambi A.; Robertson, Jacob M.; Wilson, Tyler; Young, William J.; Buckner, Spencer L.; Allen, Nic R.; Head, H. Hope

2016-01-01

Dolidze-35 is an under-observed northern hemisphere open cluster. It is noted in WEBDA as "No data available for this cluster". As such, we chose this cluster as an undergraduate class project to investigate its existence. We present SDSS-ugriz magnitudes for the possible cluster and cross these with existing JHK data obtained from 2MASS. Selection of possible members is aided by the proper motion study of Krone-Martins (2010).

Effect of dopant distribution on aging of catalytic Cr-doped transition aluminas

NASA Astrophysics Data System (ADS)

Borisevich, Albina; Rashkeev, Sergey; Wang, Sanwu; Glazoff, Michael; Sohlberg, Karl; Pennycook, Stephen; Pantelides, Sokrates

2004-03-01

Metastable (transition) aluminas, in particular γ -Al_2O3 and η -Al_2O_3, are widely used as catalysts as well as supports for different transition metals. When doped with Cr, the two modifications exhibit remarkably different aging behavior: γ -Al_2O_3-supported catalysts degrade two orders of magnitude faster than those based on η -Al_2O_3. Here we use a combination of Z-contrast aberration-corrected scanning transmission electron microscopy (STEM), electron energy loss spectroscopy (EELS), and extended X-ray absorption fine structure (EXAFS) studies with first-principles calculations to determine the origin of this disparity. EXAFS data reveal that the coordination environments of Cr in the two forms are significantly different. STEM and EELS observations demonstrate that on γ -Al_2O3 Cr tends to segregate and form Cr_2O_3, while on η -Al_2O3 Cr is uniformly distributed. The reason for the dissimilarity, as shown by first-principles calculations, lies in the different reconstruction of the preferentially exposed 110 surface. In γ -Al_2O_3, it serves to destabilize the catalytically active Cr sites, at the same time inducing the formation of Cr_2O_3, while in η -Al_2O3 Cr atoms stay dispersed on the surface and catalytically active. This work provides interesting insights in the aging behavior of transition-metal based catalysts. Authors thank Dr. Saeed Alerasool (Engelhard Corp., Beechwood, OH) for providing samples and DOE (Grants DE-AC05-00OR22725 and DE-FC02-01CH11085) and NSF (Grant DMR-0111841) for financial support.

A multi-scale study of the adsorption of lanthanum on the (110) surface of tungsten

NASA Astrophysics Data System (ADS)

Samin, Adib J.; Zhang, Jinsuo

2016-07-01

In this study, we utilize a multi-scale approach to studying lanthanum adsorption on the (110) plane of tungsten. The energy of the system is described from density functional theory calculations within the framework of the cluster expansion method. It is found that including two-body figures up to the sixth nearest neighbor yielded a reasonable agreement with density functional theory calculations as evidenced by the reported cross validation score. The results indicate that the interaction between the adsorbate atoms in the adlayer is important and cannot be ignored. The parameterized cluster expansion expression is used in a lattice gas Monte Carlo simulation in the grand canonical ensemble at 773 K and the adsorption isotherm is recorded. Implications of the obtained results for the pyroprocessing application are discussed.

Progressive colonization and restricted gene flow shape island-dependent population structure in Galápagos marine iguanas (Amblyrhynchus cristatus)

PubMed Central

2009-01-01

Background Marine iguanas (Amblyrhynchus cristatus) inhabit the coastlines of large and small islands throughout the Galápagos archipelago, providing a rich system to study the spatial and temporal factors influencing the phylogeographic distribution and population structure of a species. Here, we analyze the microevolution of marine iguanas using the complete mitochondrial control region (CR) as well as 13 microsatellite loci representing more than 1200 individuals from 13 islands. Results CR data show that marine iguanas occupy three general clades: one that is widely distributed across the northern archipelago, and likely spread from east to west by way of the South Equatorial current, a second that is found mostly on the older eastern and central islands, and a third that is limited to the younger northern and western islands. Generally, the CR haplotype distribution pattern supports the colonization of the archipelago from the older, eastern islands to the younger, western islands. However, there are also signatures of recurrent, historical gene flow between islands after population establishment. Bayesian cluster analysis of microsatellite genotypes indicates the existence of twenty distinct genetic clusters generally following a one-cluster-per-island pattern. However, two well-differentiated clusters were found on the easternmost island of San Cristóbal, while nine distinct and highly intermixed clusters were found on youngest, westernmost islands of Isabela and Fernandina. High mtDNA and microsatellite genetic diversity were observed for populations on Isabela and Fernandina that may be the result of a recent population expansion and founder events from multiple sources. Conclusions While a past genetic study based on pure FST analysis suggested that marine iguana populations display high levels of nuclear (but not mitochondrial) gene flow due to male-biased dispersal, the results of our sex-biased dispersal tests and the finding of strong genetic differentiation between islands do not support this view. Therefore, our study is a nice example of how recently developed analytical tools such as Bayesian clustering analysis and DNA sequence-based demographic analyses can overcome potential biases introduced by simply relying on FST estimates from markers with different inheritance patterns. PMID:20028547

A pharmacokinetic and pharmacodynamic comparison of immediate-release metoprolol and extended-release metoprolol CR/XL in patients with suspected acute myocardial infarction: a randomized, open-label study.

PubMed

Karlson, Björn W; Dellborg, Mikael; Gullestad, Lars; Aberg, Jan; Sugg, Jennifer; Herlitz, Johan

2014-01-01

Previous metoprolol studies in myocardial infarction patients were performed with immediate-release (IR) metoprolol. This study aims to evaluate if extended-release metoprolol CR/XL once daily gives a similar β-blockade over 24 h compared to multiple dosing of metoprolol IR. After 2 days of routine metoprolol treatment, 27 patients with suspected acute myocardial infarction were randomized to open-label treatment with metoprolol IR (50 mg four times daily or 100 mg twice daily) or metoprolol CR/XL 200 mg once daily for 3 days. Metoprolol CR/XL 200 mg once daily gave more pronounced suppression of peak heart rate, with lower peak and less variation in peak to trough plasma levels. There were no differences in AUC between the CR/XL and IR formulations, although the trough plasma metoprolol levels were comparable for metoprolol CR/XL 200 mg once daily and metoprolol IR 50 mg four times daily, but lower for metoprolol IR 100 mg twice daily. Both treatments were well tolerated. Metoprolol CR/XL 200 mg once daily showed lower peak and less variation in peak to trough plasma levels compared to multiple dosing of metoprolol IR with the same AUC. This was accompanied by a more uniform β-blockade over time, which was reflected by heart rate, and a more pronounced suppression of peak heart rate with similar tolerability. This suggests metoprolol CR/XL may be used as an alternative to metoprolol IR in patients with myocardial infarction. © 2013 S. Karger AG, Basel.

Highly Selective Adsorption of Ethylene over Ethane in a MOF Featuring the Combination of Open Metal Site and -Complexation

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

Zhang, Yiming; Li, Baiyan; Wu, Zili

The introduction of the combination of open metal site (OMS) and -complexation into MOF has led to very high ethylene/ethane adsorption selectivity at 318K, as illustrated in the context of MIL-101-Cr-SO 3Ag. The interactions with ethylene from both OMS and -complexation in MIL-101-Cr-SO 3Ag have been investigated by in situ IR spectroscopic studies and computational calculations, which suggest -complexation contributes dominantly to the high ethylene/ethane adsorption selectivity.

Highly Selective Adsorption of Ethylene over Ethane in a MOF Featuring the Combination of Open Metal Site and -Complexation

DOE PAGES

Zhang, Yiming; Li, Baiyan; Wu, Zili; ...

2015-01-09

The introduction of the combination of open metal site (OMS) and -complexation into MOF has led to very high ethylene/ethane adsorption selectivity at 318K, as illustrated in the context of MIL-101-Cr-SO 3Ag. The interactions with ethylene from both OMS and -complexation in MIL-101-Cr-SO 3Ag have been investigated by in situ IR spectroscopic studies and computational calculations, which suggest -complexation contributes dominantly to the high ethylene/ethane adsorption selectivity.

Non-Rayleigh control of upper-ocean Cd isotope fractionation in the western South Atlantic

NASA Astrophysics Data System (ADS)

Xie, Ruifang C.; Galer, Stephen J. G.; Abouchami, Wafa; Rijkenberg, Micha J. A.; de Baar, Hein J. W.; De Jong, Jeroen; Andreae, Meinrat O.

2017-08-01

We present seawater Cd isotopic compositions in five depth profiles and a continuous surface water transect, from 50°S to the Equator, in the western South Atlantic, sampled during GEOTRACES cruise 74JC057 (GA02 section, Leg 3), and investigate the mechanisms governing Cd isotope cycling in the upper and deep ocean. The depth profiles generally display high ε 112 / 110Cd at the surface and decrease with increasing depth toward values typical of Antarctic Bottom Water (AABW). However, at stations north of the Subantarctic Front, the decrease in ε 112 / 110Cd is interrupted by a shift to values intermediate between those of surface and bottom waters, which occurs at depths occupied by North Atlantic Deep Water (NADW). This pattern is associated with variations in Cd concentration from low surface values to a maximum at mid-depths and is attributed to preferential utilization of light Cd by phytoplankton in the surface ocean. Our new results show that in this region Cd-deficient waters do not display the extreme, highly fractionated ε 112 / 110Cd reported in some earlier studies from other oceanic regions. Instead, in the surface and subsurface southwest (SW) Atlantic, when [Cd] drops below 0.1 nmol kg-1, ε 112 / 110Cd are relatively homogeneous and cluster around a value of +3.7, in agreement with the mean value of 3.8 ± 3.3 (2SD, n = 164) obtained from a statistical evaluation of the global ocean Cd isotope dataset. We suggest that Cd-deficient surface waters may acquire their Cd isotope signature via sorption of Cd onto organic ligands, colloids or bacterial/picoplankton extracellular functional groups. Alternatively, we show that an open system, steady-state model is in good accord with the observed Cd isotope systematics in the upper ocean north of the Southern Ocean. The distribution of ε 112 / 110Cd in intermediate and deep waters is consistent with the water mass distribution, with the north-south variations reflecting changes in the mixing proportion of NADW and either AABW or AAIW depending on the depth. Overall, the SW Atlantic Cd isotope dataset demonstrates that the large-scale ocean circulation exerts the primary control on ε 112 / 110Cd cycling in the global deep ocean.

Cosmic-Ray Feedback Heating of the Intracluster Medium

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

Ruszkowski, Mateusz; Yang, H.-Y. Karen; Reynolds, Christopher S., E-mail: mateuszr@umich.edu, E-mail: hsyang@astro.umd.edu, E-mail: chris@astro.umd.edu

2017-07-20

Active galactic nuclei (AGNs) play a central role in solving the decades-old cooling-flow problem. Although there is consensus that AGNs provide the energy to prevent catastrophically large star formation, one major problem remains: How is the AGN energy thermalized in the intracluster medium (ICM)? We perform a suite of three-dimensional magnetohydrodynamical adaptive mesh refinement simulations of AGN feedback in a cool core cluster including cosmic rays (CRs). CRs are supplied to the ICM via collimated AGN jets and subsequently disperse in the magnetized ICM via streaming, and interact with the ICM via hadronic, Coulomb, and streaming instability heating. We findmore » that CR transport is an essential model ingredient at least within the context of the physical model considered here. When streaming is included, (i) CRs come into contact with the ambient ICM and efficiently heat it, (ii) streaming instability heating dominates over Coulomb and hadronic heating, (iii) the AGN is variable and the atmosphere goes through low-/high-velocity dispersion cycles, and, importantly, (iv) CR pressure support in the cool core is very low and does not demonstrably violate observational constraints. However, when streaming is ignored, CR energy is not efficiently spent on the ICM heating and CR pressure builds up to a significant level, creating tension with the observations. Overall, we demonstrate that CR heating is a viable channel for the AGN energy thermalization in clusters and likely also in ellipticals, and that CRs play an important role in determining AGN intermittency and the dynamical state of cool cores.« less

Bond Dissociation Energies for Diatomic Molecules Containing 3d Transition Metals: Benchmark Scalar-Relativistic Coupled-Cluster Calculations for 20 Molecules

DOE PAGES

Cheng, Lan; Gauss, Jürgen; Ruscic, Branko; ...

2017-01-12

Benchmark scalar-relativistic coupled-cluster calculations for dissociation energies of the 20 diatomic molecules containing 3d transition metals in the 3dMLBE20 database ( J. Chem. Theory Comput. 2015, 11, 2036) are reported in this paper. Electron correlation and basis set effects are systematically studied. The agreement between theory and experiment is in general satisfactory. For a subset of 16 molecules, the standard deviation between computational and experimental values is 9 kJ/mol with the maximum deviation being 15 kJ/mol. The discrepancies between theory and experiment remain substantial (more than 20 kJ/mol) for VH, CrH, CoH, and FeH. To explore the source of themore » latter discrepancies, the analysis used to determine the experimental dissociation energies for VH and CrH is revisited. It is shown that, if improved values are used for the heterolytic C–H dissociation energies of di- and trimethylamine involved in the experimental determination, the experimental values for the dissociation energies of VH and CrH are increased by 18 kJ/mol, such that D 0(VH) = 223 ± 7 kJ/mol and D 0(CrH) = 204 ± 7 kJ/mol (or D e(VH) = 233 ± 7 kJ/mol and D e(CrH) = 214 ± 7 kJ/mol). Finally, the new experimental values agree quite well with the calculated values, showing the consistency of the computation and the measured reaction thresholds.« less

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

Kim, Junghyun; Gangwon, Jo; Jaehoon, Jung

Applications written solely in OpenCL or CUDA cannot execute on a cluster as a whole. Most previous approaches that extend these programming models to clusters are based on a common idea: designating a centralized host node and coordinating the other nodes with the host for computation. However, the centralized host node is a serious performance bottleneck when the number of nodes is large. In this paper, we propose a scalable and distributed OpenCL framework called SnuCL-D for large-scale clusters. SnuCL-D's remote device virtualization provides an OpenCL application with an illusion that all compute devices in a cluster are confined inmore » a single node. To reduce the amount of control-message and data communication between nodes, SnuCL-D replicates the OpenCL host program execution and data in each node. We also propose a new OpenCL host API function and a queueing optimization technique that significantly reduce the overhead incurred by the previous centralized approaches. To show the effectiveness of SnuCL-D, we evaluate SnuCL-D with a microbenchmark and eleven benchmark applications on a large-scale CPU cluster and a medium-scale GPU cluster.« less

Structural and Functional Characterization of an Archaeal Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Complex for Antiviral Defense (CASCADE)*

PubMed Central

Lintner, Nathanael G.; Kerou, Melina; Brumfield, Susan K.; Graham, Shirley; Liu, Huanting; Naismith, James H.; Sdano, Matthew; Peng, Nan; She, Qunxin; Copié, Valérie; Young, Mark J.; White, Malcolm F.; Lawrence, C. Martin

2011-01-01

In response to viral infection, many prokaryotes incorporate fragments of virus-derived DNA into loci called clustered regularly interspaced short palindromic repeats (CRISPRs). The loci are then transcribed, and the processed CRISPR transcripts are used to target invading viral DNA and RNA. The Escherichia coli “CRISPR-associated complex for antiviral defense” (CASCADE) is central in targeting invading DNA. Here we report the structural and functional characterization of an archaeal CASCADE (aCASCADE) from Sulfolobus solfataricus. Tagged Csa2 (Cas7) expressed in S. solfataricus co-purifies with Cas5a-, Cas6-, Csa5-, and Cas6-processed CRISPR-RNA (crRNA). Csa2, the dominant protein in aCASCADE, forms a stable complex with Cas5a. Transmission electron microscopy reveals a helical complex of variable length, perhaps due to substoichiometric amounts of other CASCADE components. A recombinant Csa2-Cas5a complex is sufficient to bind crRNA and complementary ssDNA. The structure of Csa2 reveals a crescent-shaped structure unexpectedly composed of a modified RNA-recognition motif and two additional domains present as insertions in the RNA-recognition motif. Conserved residues indicate potential crRNA- and target DNA-binding sites, and the H160A variant shows significantly reduced affinity for crRNA. We propose a general subunit architecture for CASCADE in other bacteria and Archaea. PMID:21507944

Gene Repression in Haloarchaea Using the CRISPR (Clustered Regularly Interspaced Short Palindromic Repeats)-Cas I-B System.

PubMed

Stachler, Aris-Edda; Marchfelder, Anita

2016-07-15

The clustered regularly interspaced short palindromic repeats (CRISPR)-Cas system is used by bacteria and archaea to fend off foreign genetic elements. Since its discovery it has been developed into numerous applications like genome editing and regulation of transcription in eukaryotes and bacteria. For archaea currently no tools for transcriptional repression exist. Because molecular biology analyses in archaea become more and more widespread such a tool is vital for investigating the biological function of essential genes in archaea. Here we use the model archaeon Haloferax volcanii to demonstrate that its endogenous CRISPR-Cas system I-B can be harnessed to repress gene expression in archaea. Deletion of cas3 and cas6b genes results in efficient repression of transcription. crRNAs targeting the promoter region reduced transcript levels down to 8%. crRNAs targeting the reading frame have only slight impact on transcription. crRNAs that target the coding strand repress expression only down to 88%, whereas crRNAs targeting the template strand repress expression down to 8%. Repression of an essential gene results in reduction of transcription levels down to 22%. Targeting efficiencies can be enhanced by expressing a catalytically inactive Cas3 mutant. Genes can be targeted on plasmids or on the chromosome, they can be monocistronic or part of a polycistronic operon. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Gene Repression in Haloarchaea Using the CRISPR (Clustered Regularly Interspaced Short Palindromic Repeats)-Cas I-B System*

PubMed Central

Stachler, Aris-Edda; Marchfelder, Anita

2016-01-01

The clustered regularly interspaced short palindromic repeats (CRISPR)-Cas system is used by bacteria and archaea to fend off foreign genetic elements. Since its discovery it has been developed into numerous applications like genome editing and regulation of transcription in eukaryotes and bacteria. For archaea currently no tools for transcriptional repression exist. Because molecular biology analyses in archaea become more and more widespread such a tool is vital for investigating the biological function of essential genes in archaea. Here we use the model archaeon Haloferax volcanii to demonstrate that its endogenous CRISPR-Cas system I-B can be harnessed to repress gene expression in archaea. Deletion of cas3 and cas6b genes results in efficient repression of transcription. crRNAs targeting the promoter region reduced transcript levels down to 8%. crRNAs targeting the reading frame have only slight impact on transcription. crRNAs that target the coding strand repress expression only down to 88%, whereas crRNAs targeting the template strand repress expression down to 8%. Repression of an essential gene results in reduction of transcription levels down to 22%. Targeting efficiencies can be enhanced by expressing a catalytically inactive Cas3 mutant. Genes can be targeted on plasmids or on the chromosome, they can be monocistronic or part of a polycistronic operon. PMID:27226589

Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR) RNAs in the Porphyromonas gingivalis CRISPR-Cas I-C System.

PubMed

Burmistrz, Michal; Rodriguez Martinez, Jose Ignacio; Krochmal, Daniel; Staniec, Dominika; Pyrc, Krzysztof

2017-12-01

The CRISPR-Cas (clustered regularly interspaced short palindromic repeat-CRISPR-associated protein) system is unique to prokaryotes and provides the majority of bacteria and archaea with immunity against nucleic acids of foreign origin. CRISPR RNAs (crRNAs) are the key element of this system, since they are responsible for its selectivity and effectiveness. Typical crRNAs consist of a spacer sequence flanked with 5' and 3' handles originating from repeat sequences that are important for recognition of these small RNAs by the Cas machinery. In this investigation, we studied the type I-C CRISPR-Cas system in Porphyromonas gingivalis , a human pathogen associated with periodontitis, rheumatoid arthritis, cardiovascular disease, and aspiration pneumonia. We demonstrated the importance of the 5' handle for crRNA recognition by the effector complex and consequently activity, as well as secondary trimming of the 3' handle, which was not affected by modifications of the repeat sequence. IMPORTANCE Porphyromonas gingivalis , a clinically relevant Gram-negative, anaerobic bacterium, is one of the major etiologic agents of periodontitis and has been linked with the development of other clinical conditions, including rheumatoid arthritis, cardiovascular disease, and aspiration pneumonia. The presented results on the biogenesis and functions of crRNAs expand our understanding of CRISPR-Cas cellular defenses in P. gingivalis and of horizontal gene transfer in bacteria. Copyright © 2017 American Society for Microbiology.

Structural and functional characterization of an archaeal clustered regularly interspaced short palindromic repeat (CRISPR)-associated complex for antiviral defense (CASCADE).

PubMed

Lintner, Nathanael G; Kerou, Melina; Brumfield, Susan K; Graham, Shirley; Liu, Huanting; Naismith, James H; Sdano, Matthew; Peng, Nan; She, Qunxin; Copié, Valérie; Young, Mark J; White, Malcolm F; Lawrence, C Martin

2011-06-17

In response to viral infection, many prokaryotes incorporate fragments of virus-derived DNA into loci called clustered regularly interspaced short palindromic repeats (CRISPRs). The loci are then transcribed, and the processed CRISPR transcripts are used to target invading viral DNA and RNA. The Escherichia coli "CRISPR-associated complex for antiviral defense" (CASCADE) is central in targeting invading DNA. Here we report the structural and functional characterization of an archaeal CASCADE (aCASCADE) from Sulfolobus solfataricus. Tagged Csa2 (Cas7) expressed in S. solfataricus co-purifies with Cas5a-, Cas6-, Csa5-, and Cas6-processed CRISPR-RNA (crRNA). Csa2, the dominant protein in aCASCADE, forms a stable complex with Cas5a. Transmission electron microscopy reveals a helical complex of variable length, perhaps due to substoichiometric amounts of other CASCADE components. A recombinant Csa2-Cas5a complex is sufficient to bind crRNA and complementary ssDNA. The structure of Csa2 reveals a crescent-shaped structure unexpectedly composed of a modified RNA-recognition motif and two additional domains present as insertions in the RNA-recognition motif. Conserved residues indicate potential crRNA- and target DNA-binding sites, and the H160A variant shows significantly reduced affinity for crRNA. We propose a general subunit architecture for CASCADE in other bacteria and Archaea.

Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR) RNAs in the Porphyromonas gingivalis CRISPR-Cas I-C System

PubMed Central

Burmistrz, Michal; Rodriguez Martinez, Jose Ignacio; Krochmal, Daniel; Staniec, Dominika

2017-01-01

ABSTRACT The CRISPR-Cas (clustered regularly interspaced short palindromic repeat–CRISPR-associated protein) system is unique to prokaryotes and provides the majority of bacteria and archaea with immunity against nucleic acids of foreign origin. CRISPR RNAs (crRNAs) are the key element of this system, since they are responsible for its selectivity and effectiveness. Typical crRNAs consist of a spacer sequence flanked with 5′ and 3′ handles originating from repeat sequences that are important for recognition of these small RNAs by the Cas machinery. In this investigation, we studied the type I-C CRISPR-Cas system in Porphyromonas gingivalis, a human pathogen associated with periodontitis, rheumatoid arthritis, cardiovascular disease, and aspiration pneumonia. We demonstrated the importance of the 5′ handle for crRNA recognition by the effector complex and consequently activity, as well as secondary trimming of the 3′ handle, which was not affected by modifications of the repeat sequence. IMPORTANCE Porphyromonas gingivalis, a clinically relevant Gram-negative, anaerobic bacterium, is one of the major etiologic agents of periodontitis and has been linked with the development of other clinical conditions, including rheumatoid arthritis, cardiovascular disease, and aspiration pneumonia. The presented results on the biogenesis and functions of crRNAs expand our understanding of CRISPR-Cas cellular defenses in P. gingivalis and of horizontal gene transfer in bacteria. PMID:28893837

[Proton nuclear magnetic resonance spectroscopy recognition of metabolic patterns in fecal extracts for early diagnosis of colorectal cancer].

PubMed

Lin, Y; Wang, Z N; Ma, C C; Liu, C K; Yang, J R; Shen, Z W; Wu, R H

2016-09-06

Objective: To characterize the metabolic " fingerprint" of fecal extracts for diagnosis of early-stage colorectal cancer(CRC)using proton nuclear magnetic resonance spectroscopy( 1 H-NMR)-based metabolomics coupled with pattern recognition. Methods: From January 2014 to December 2014, we collected fecal samples at the Second Affiliated Hospital of Shantou University Medical College, from 25 patients with colorectal adenomas(CR-Ad), 20 with stage Ⅰ/Ⅱ CRC, and 32 healthy controls(HCs). The patients were diagnosed by histopathology. No subjects had any complicating diseases. HCs showed no abnormalities from blood tests, endoscopic examination, diagnostic imaging, and/or medical interviews. We excluded participants who used antibiotics, NSAIDS, statins, or probiotics within two months of study participation, and any patients who underwent chemotherapy or radiation treatments prior to surgery. We used orthogonal partial least-squares-discriminant analysis(OPLS-DA)for pattern recognition(dimension reduction)on 1 H-NMR processed data( 1 H frequency of 400.13 MHz), to find metabolic differences among CR-Ad, carcinoma and HC fecal samples; and receiver operating characteristic(ROC)analysis to determine the diagnostic value of the fecal metabolic biomarkers. Results: Fecal samples were collected from 20 patients with Stage Ⅰ/Ⅱ CRC(11 M, 9 F, median age(52±13)years), 25 with CR-Ad(14 M, 11 F, median age(53 ± 11)years)and 32 HCs(15 M, 17 F, median age(53 ± 14)years). OPLS-DA clearly distinguished CR-Ad and stage Ⅰ/Ⅱ CRC from HC samples, based on their metabolomic profiles. Relative signal intensities in HCs were significantly lower than in the cancer patients for butyrate(HC: 23.0±6.0; CR-Ad: 18.0±5.0; CRC: 14.0±6.0; Z =-2.07, P =0.008), acetate(HC: 45.0±11.0; CR-Ad: 31.0±11.0; CRC: 24.0±8.0; Z =- 2.32, P =0.011), propionate(HC: 26.0 ± 7.0; CR-Ad: 22.0 ± 6.0; CRC: 19.0 ± 5.0; Z =- 2.43, P =0.032), glucose(HC: 37.0±7.0; CR-Ad: 31.0±7.0; CRC: 26.0±8.0; Z =-2.07, P =0.044)and glutamine(HC: 4.5±2.0; CR-Ad: 4.9 ± 1.0; CRC: 5.4 ± 1.0; Z =2.21, P =0.044). However, relative signal intensities in HCs were significantly higher than in patients for lactate(HC: 4.8±1.0; CR-Ad: 6.9±2.0; CRC: 4.8± 1.0; Z =2.02, P = 0.038), glutamate(HC: 3.2 ± 2.0; CR-Ad: 4.9 ± 1.0; CRC: 3.2 ± 2.0; Z =2.21, P =0.044)and succinate(HC: 12.0±2.0; CR-Ad: 15.0±3.0; CRC: 12.0± 2.0; Z =2.25, P =0.011). Among the potential biomarkers, acetate at 1.92 ppm, and succinate at 2.41 ppm displayed relatively high area under ROC, with sensitivity and specificity both >90%, to distinguish early-stage CRC patients from HCs. Conclusion: Fecal metabolic profiles distinguish of HCs from patients with CRC patients, even in the early stages(stage Ⅰ/Ⅱ), highlighting the potential of NMR-based fecal metabolomic fingerprinting as tools for early CRC diagnosis.

Value, Cost, and Sharing: Open Issues in Constrained Clustering

NASA Technical Reports Server (NTRS)

Wagstaff, Kiri L.

2006-01-01

Clustering is an important tool for data mining, since it can identify major patterns or trends without any supervision (labeled data). Over the past five years, semi-supervised (constrained) clustering methods have become very popular. These methods began with incorporating pairwise constraints and have developed into more general methods that can learn appropriate distance metrics. However, several important open questions have arisen about which constraints are most useful, how they can be actively acquired, and when and how they should be propagated to neighboring points. This position paper describes these open questions and suggests future directions for constrained clustering research.

A regional-scale study of chromium and nickel in soils of northern California, USA

USGS Publications Warehouse

Morrison, J.M.; Goldhaber, M.B.; Lee, L.; Holloway, J.M.; Wanty, R.B.; Wolf, R.E.; Ranville, J.F.

2009-01-01

A soil geochemical survey was conducted in a 27,000-km2 study area of northern California that includes the Sierra Nevada Mountains, the Sacramento Valley, and the northern Coast Range. The results show that soil geochemistry in the Sacramento Valley is controlled primarily by the transport and weathering of parent material from the Coast Range to the west and the Sierra Nevada to the east. Chemically and mineralogically distinctive ultramafic (UM) rocks (e.g. serpentinite) outcrop extensively in the Coast Range and Sierra Nevada. These rocks and the soils derived from them have elevated concentrations of Cr and Ni. Surface soil samples derived from UM rocks of the Sierra Nevada and Coast Range contain 1700-10,000 mg/kg Cr and 1300-3900 mg/kg Ni. Valley soils west of the Sacramento River contain 80-1420 mg/kg Cr and 65-224 mg/kg Ni, reflecting significant contributions from UM sources in the Coast Range. Valley soils on the east side contain 30-370 mg/kg Cr and 16-110 mg/kg Ni. Lower Cr and Ni concentrations on the east side of the valley are the result of greater dilution by granitic sources of the Sierra Nevada. Chromium occurs naturally in the Cr(III) and Cr(VI) oxidation states. Trivalent Cr is a non-toxic micronutrient, but Cr(VI) is a highly soluble toxin and carcinogen. X-ray diffraction and scanning electron microscopy of soils with an UM parent show Cr primarily occurs within chromite and other mixed-composition spinels (Al, Mg, Fe, Cr). Chromite contains Cr(III) and is highly refractory with respect to weathering. Comparison of a 4-acid digestion (HNO3, HCl, HF, HClO4), which only partially dissolves chromite, and total digestion by lithium metaborate (LiBO3) fusion, indicates a lower proportion of chromite-bound Cr in valley soils relative to UM source soils. Groundwater on the west side of the Sacramento Valley has particularly high concentrations of dissolved Cr ranging up to 50 ??g L-1 and averaging 16.4 ??g L-1. This suggests redistribution of Cr during weathering and oxidation of Cr(III)-bearing minerals. It is concluded that regional-scale transport and weathering of ultramafic-derived constituents have resulted in enrichment of Cr and Ni in the Sacramento Valley and a partial change in the residence of Cr.

First principles investigation of half-metallicity and spin gapless semiconductor in CH3NH3Cr x Pb1- x I3 mixed perovskites

NASA Astrophysics Data System (ADS)

Huang, H. M.; Zhu, Z. W.; Zhang, C. K.; He, Z. D.; Luo, S. J.

2018-04-01

The structural, electronic and magnetic properties of organic-inorganic hybrid mixed perovskites CH3NH3Cr x Pb1- x I3 ( x = 0.25, 0.50, 0.75, 1.00) in cubic, tetragonal and orthorhombic phases have been investigated by first-principles calculation. The results indicate that the tetragonal CH3NH3Cr0.75Pb0.25I3 is a spin gapless semiconductor with Curie temperature of 663 K estimated using mean field approximation. All other CH3NH3Cr x Pb1- x I3 mixed perovskites are half-metallic ferromagnets together with 100% spin polarization, and their total magnetic moment are 4.00, 8.00, 12.00 and 16.00 µB per unit cell for x = 0.25, 0.50, 0.75 and 1.00, respectively. The effect of <100>, <110> and <111> orientation of organic cation CH3NH3 + on the electronic properties of CH3NH3Cr0.50Pb0.50I3 was investigated. The results show that the CH3NH3 + in different orientations have a slight effect on the lattice constants, the energy gap in minority-spin states, half-metallic gap, local magnetic moment, and Curie temperature.

Metabolic injury in a variable rat model of post-status epilepticus.

PubMed

Pearce, Patrice S; Wu, Yijen; Rapuano, Amedeo; Kelly, Kevin M; de Lanerolle, Nihal; Pan, Jullie W

2016-12-01

In vivo studies of epilepsy typically use prolonged status epilepticus to generate recurrent seizures. However, reports on variable status duration have found discrete differences in injury after 40-50 min of seizures, suggesting a pathophysiologic sensitivity to seizure duration. In this report we take a multivariate cluster analysis to study a short duration status epilepticus model using in vivo 7T magnetic resonance spectroscopy (MRS) and histologic evaluation. The Hellier Dudek model was applied with 45 min of status epilepticus after which the animals were imaged twice, at 3 days and 3 weeks post-status epilepticus. Single voxel point resolved spectroscopy (PRESS) MRS was used to acquire data from the dentate gyrus and CA3 region of the hippocampus, assessing metabolite ratios to total creatine (tCr). In a subset of animals after the second imaging study, brains were analyzed histologically by Nissl staining. A hierarchical cluster analysis performed on the 3-day data from 21 kainate-treated animals (dentate gyrus voxel) segregated into two clusters, denoted by KM (more injured, n = 6) and KL (less injured, n = 15). Although there was no difference in kainate dosing or seizure count between them, the metabolic pattern of injury was different. The KM group displayed the largest significant changes in neuronal and glial parameters; the KL group displayed milder but significant changes. At 3 weeks, the KL group returned to normal compared to controls, whereas the KM group persisted with depressed N-acetyl aspartate (NAA)/tCr, glutamate/tCr, and increased inositol/tCr and glutamine/tCr. The classification was also consistent with subsequent histologic patterns at 3 weeks. Although a short status period might be expected to generate a continuous distribution of metabolic injury, these data show that the short Hellier Dudek model appears to generate two levels of injury. The changes seen in segregated groups persisted into 3 weeks, and can be interpreted according to neuronal and glial biomarkers consistent with histology results. © 2016 The Authors. Epilepsia published by Wiley Periodicals, Inc. on behalf of International League Against Epilepsy.

Electric field control of ferromagnetism at room temperature in GaCrN (p-i-n) device structures

NASA Astrophysics Data System (ADS)

El-Masry, N. A.; Zavada, J. M.; Reynolds, J. G.; Reynolds, C. L.; Liu, Z.; Bedair, S. M.

2017-08-01

We have demonstrated a room temperature dilute magnetic semiconductor based on GaCrN epitaxial layers grown by metalorganic chemical vapor deposition. Saturation magnetization Ms increased when the GaCrN film is incorporated into a (p-GaN/i-GaCrN/n-GaN) device structure, due to the proximity of mediated holes present in the p-GaN layer. Zero field cooling and field cooling were measured to ascertain the absence of superparamagnetic behavior in the films. A (p-GaN/i-GaCrN/n-GaN) device structure with room temperature ferromagnetic (FM) properties that can be controlled by an external applied voltage has been fabricated. In this work, we show that the applied voltage controls the ferromagnetic properties, by biasing the (p-i-n) structure. With forward bias, ferromagnetism in the GaCrN layer was increased nearly 4 fold of the original value. Such an enhancement is due to carrier injection of holes into the Cr deep level present in the i-GaCrN layer. A "memory effect" for the FM behavior of the (p-i-n) GaCrN device structure persisted for 42 h after the voltage bias was turned off. These measurements also support that the observed ferromagnetism in the GaCrN film is not due to superparamagnetic clusters but instead is a hole-mediated phenomenon.

WIYN open cluster study: photometric determination of binary mass ratios

NASA Astrophysics Data System (ADS)

Cai, Kai; Durisen, Richard H.; Deliyannis, Constantine P.

Taking advantage of WIYN Open Cluster Survey (WOCS) precision photometry, we have developed a method using appropriate Yonsei-Yale Isochrones to determine primary masses M2 and q (=M2/M1) for cluster binary stars and applied it to proper motion members of M35.

FY2017 Defense Spending Under an Interim Continuing Resolution (CR): In Brief

DTIC Science & Technology

2016-09-16

rated based on the fraction of a year for which the interim CR is in effect . In recent fiscal years, the referenced funding level on which interim or...of the Federal Government: Causes, Processes, and Effects , coordinated by Clinton T. Brass. 8 Typically, such funding is specified as an annualized...congressional consideration of a CR to fund the federal government through the opening months of the fiscal year is widely anticipated. This report

Reddening and age for 13 southern Galactic open clusters determined from integrated spectra

NASA Astrophysics Data System (ADS)

Ahumada, A. V.; Clariá, J. J.; Bica, E.; Dutra, C. M.; Torres, M. C.

2001-10-01

In this study we present flux-calibrated integrated spectra in the range 3800-6800 Å for 13 concentrated open clusters with Galactic longitudes between 219deg and 316deg, nine of which have not been previously studied. Using the equivalent widths of the Balmer lines and comparing the cluster spectra with template spectra of Magellanic Clouds and Galactic star clusters with known parameters, we derive both foreground interstellar reddening values and age. For nine clusters these two parameters have been determined for the first time, while for the rest of the sample the results show good agreement with previous studies. The present analysis indicates four very young (Hogg 11, NGC 5606, vdB-RN 80 and Pismis 17), seven moderately young (ESO 429-SC13, Hogg 3, Hogg 12, Haffner 7, BH 87, NGC 2368 and Bochum 12) and two intermediate-age (Berkeley 75 and NGC 2635) open clusters. The derived foreground interstellar reddening values are in the range 0.00 <= E(B-V) <= 0.38. The age and reddening distributions of the present sample of relatively faint open clusters match those of open clusters with known parameters in a 90deg sector centered at l = 270deg. Based on observations made at Complejo Astronómico El Leoncito, which is operated under agreement between the Consejo Nacional de Investigaciones Científicas y Técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juan, Argentina.

Life prediction and constitutive models for engine hot section anisotropic materials

NASA Technical Reports Server (NTRS)

Swanson, G. A.; Linask, I.; Nissley, D. M.; Norris, P. P.; Meyer, T. G.; Walker, K. P.

1987-01-01

The results are presented of a program designed to develop life prediction and constitutive models for two coated single crystal alloys used in gas turbine airfoils. The two alloys are PWA 1480 and Alloy 185. The two oxidation resistant coatings are PWA 273, an aluminide coating, and PWA 286, an overlay NiCoCrAlY coating. To obtain constitutive and fatigue data, tests were conducted on uncoated and coated specimens loaded in the CH76 100 CH110 , CH76 110 CH110 , CH76 111 CH110 and CH76 123 CH110 crystallographic directions. Two constitutive models are being developed and evaluated for the single crystal materials: a micromechanic model based on crystallographic slip systems, and a macroscopic model which employs anisotropic tensors to model inelastic deformation anisotropy. Based on tests conducted on the overlay coating material, constitutive models for coatings also appear feasible and two initial models were selected. A life prediction approach was proposed for coated single crystal materials, including crack initiation either in the coating or in the substrate. The coating initiated failures dominated in the tests at load levels typical of gas turbine operation. Coating life was related to coating stress/strain history which was determined from specimen data using the constitutive models.

A Wsbnd Ne interatomic potential for simulation of neon implantation in tungsten

NASA Astrophysics Data System (ADS)

Backman, Marie; Juslin, Niklas; Huang, Guiyang; Wirth, Brian D.

2016-08-01

An interatomic pair potential for Wsbnd Ne is developed for atomistic molecular dynamics simulations of neon implantation in tungsten. The new potential predicts point defect energies and binding energies of small clusters that are in good agreement with electronic structure calculations. Molecular dynamics simulations of small neon clusters in tungsten show that trap mutation, in which an interstitial neon cluster displaces a tungsten atom from its lattice site, occurs for clusters of three or more neon atoms. However, near a free surface, trap mutation can occur at smaller sizes, including even a single neon interstitial in close proximity to a (100) or (110) surface.

Une nouvelle famille de scorpions du Crétacé inférieur du Brésil

NASA Astrophysics Data System (ADS)

de Carvalho, Maria da Gloria P.; Lourenço, Wilson R.

2001-06-01

A new family, new genus and species of fossil scorpions are described from the Early Cretaceous of Brazil, Santana formation, Crato area in the state of Ceará. These fossils can be classified together with extant families within the Scorpionoidea. This suggests that these modern scorpions belong to lineages present at least for 110 Myr.

Slow Magnetic Relaxation and Single-Molecule Toroidal Behaviour in a Family of Heptanuclear {CrIII LnIII6 } (Ln=Tb, Ho, Er) Complexes.

PubMed

Vignesh, Kuduva R; Langley, Stuart K; Swain, Abinash; Moubaraki, Boujemaa; Damjanović, Marko; Wernsdorfer, Wolfgang; Rajaraman, Gopalan; Murray, Keith S

2018-01-15

The synthesis, magnetic properties, and theoretical studies of three heterometallic {Cr III Ln III 6 } (Ln=Tb, Ho, Er) complexes, each containing a metal topology consisting of two Ln 3 triangles connected via a Cr III linker, are reported. The {CrTb 6 } and {CrEr 6 } analogues display slow relaxation of magnetization in a 3000 Oe static magnetic field. Single-crystal measurements reveal opening up of the hysteresis loop for {CrTb 6 } and {CrHo 6 } molecules at low temperatures. Ab initio calculations predict toroidal magnetic moments in the two Ln 3 triangles, which are found to couple, stabilizing a con-rotating ferrotoroidal ground state in Tb and Ho examples and extend the possibility of observing toroidal behaviour in non Dy III complexes for the first time. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

ESR spectrum of Cr(V) with 2,3-dioxynaphthalene in a liquid crystal

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

Novosadov, N.A.; Mukhtarov, A.S.; Usmanov, Z.I.

1987-01-01

Research has previously been reported on the complex formed by Cr(V) with 2,3-dioxynaphthalene (I) in solution in DMFA. An open question remaining is the mutual orientation of the molecular symmetry axes and the magnetic ones. The authors give results on the complex formed by Cr(V) with I obtained by ESR in 4-methoxy-benzylidene-n-4'-butylaniline (MBBA). The ESR spectrum of Cr(V) with I in the nematic phase of MBBA is a strong line due to /sup 52/Cr with g = 1.978 and four weak lines due to /sup 53/Cr at the natural content with HFI constant a* = 11.8 x 10/sup -4/ T;more » when the MBBA is converted to the isotropic phase, the observed HFI constant from /sup 53/Cr increases to 18 x 10/sup -4/ T, while the g factor is unaltered.« less

Open-Book, Open-Web Online Examinations: Developing Examination Practices to Support University Students' Learning and Self-Efficacy

ERIC Educational Resources Information Center

Myyry, Liisa; Joutsenvirta, Taina

2015-01-01

The aim of this study was to investigate university students' experiences of open-book, open-web online examinations compared to traditional class examinations concerning preparing, responding, and learning. The data (N?=?110) were collected by an online survey from the university students who took an online examination. The students used…

Study of Intermediate Age (~10-30 Myr) Open Clusters

NASA Astrophysics Data System (ADS)

Olguin, Lorenzo; Michel, Raul; Contreras, Maria; Hernandez, Jesus; Schuster, William; Chavarria-Kleinhenn, Carlos

2013-07-01

We present the study of a sample of intermediate age open clusters (age ~ 10-30 Myr) using optical (UBVRI) and infrared photometric data. Optical photometry was obtained as part of the San Pedro Martir Open Clusters Project (SPM-OCP, Schuster et al. 2007; Michel et al. 2013). Infrared photometry was retrieved from 2MASS public data archive and WISE database. Open clusters included in the SPM-OCP were selected from catalogues presented by Dias et al. (2002) and Froebrich, Scholz & Raftery (2007). One of the main goals of the SPM-OCP is to compile a self-consistent and homogeneous set of cluster fundamental parameters such as reddening, distance, age, and metallicity whenever possible. In this work, we have analyzed a set of 25 clusters from the SPM-OCP with estimated ages between 10 and 30 Myr. Derived fundamental parameters for each cluster in the sample as well as an example of typical color-color and color-magnitude diagrams are presented. Kinematic membership was established by using proper motion data taken from the literature. Based on infrared photometry, we have searched for candidate stars to posses a circumstellar disk within each clusters. For those selected candidates a follow-up spectroscpic study is being carried out. This work was partially supported by UNAM-PAPIIT grant IN-109311.

Beyond Hydrodynamic Modeling of AGN Heating in Galaxy Clusters

NASA Astrophysics Data System (ADS)

Yang, Hsiang-Yi Karen

Clusters of galaxies hold a unique position in hierarchical structure formation - they are both powerful cosmological probes and excellent astrophysical laboratories. Accurate modeling of the cluster properties is crucial for reducing systematic uncertainties in cluster cosmology. However, theoretical modeling of the intracluster medium (ICM) has long suffered from the "cooling-flow problem" - clusters with short central times or cool cores (CCs) are predicted to host massive inflows of gas that are not observed. Feedback from active galactic nuclei (AGN) is by far the most promising heating mechanism to counteract radiative cooling. Recent hydrodynamic simulations have made remarkable progress reproducing properties of the CCs. However, there remain two major questions that cannot be probed using purely hydrodynamic models: (1) what are the roles of cosmic rays (CRs)? (2) how is the existing picture altered when the ICM is modeled as weakly collisional plasma? We propose to move beyond limitations of pure hydrodynamics and progress toward a complete understanding of how AGN jet-inflated bubbles interact with their surroundings and provide heat to the ICM. Our objectives include: (1) understand how CR-dominated bubbles heat the ICM; (2) understand bubble evolution and sound-wave dissipation in the ICM with different assumptions of plasma properties, e.g., collisionality of the ICM, with or without anisotropic transport processes; (3) Develop a subgrid model of AGN heating that can be adopted in cosmological simulations based on state-of-the-art isolated simulations. We will use a combination of analytical calculations and idealized simulations to advance our understanding of each individual physical process. We will then perform the first three-dimensional (3D) magnetohydrodynamic (MHD) simulations of self-regulated AGN feedback with relevant CR and anisotropic transport processes in order to quantify the amount and distribution of heating from the AGN. Our proposed work will elucidate the poorly understood CR and anisotropic transport processes in the weakly collisional ICM and shed light on the long-standing mystery of AGN heating in CC clusters. Our investigation, which incorporates plasma effects into fluid models and provides physical foundation for cosmological simulations, will serve as an important bridge between physics on both micro and macro scales. This study will enable robust modeling of the radio-mode feedback of AGN in cosmological simulations of cluster and galaxy formation. It will also directly impact observational studies of clusters including NASA missions such as Chandra, XMM-Newton, Astro-H/Hitomi, Fermi, HST, and Planck.

The complete genome sequence of the acarbose producer Actinoplanes sp. SE50/110

PubMed Central

2012-01-01

Background Actinoplanes sp. SE50/110 is known as the wild type producer of the alpha-glucosidase inhibitor acarbose, a potent drug used worldwide in the treatment of type-2 diabetes mellitus. As the incidence of diabetes is rapidly rising worldwide, an ever increasing demand for diabetes drugs, such as acarbose, needs to be anticipated. Consequently, derived Actinoplanes strains with increased acarbose yields are being used in large scale industrial batch fermentation since 1990 and were continuously optimized by conventional mutagenesis and screening experiments. This strategy reached its limits and is generally superseded by modern genetic engineering approaches. As a prerequisite for targeted genetic modifications, the complete genome sequence of the organism has to be known. Results Here, we present the complete genome sequence of Actinoplanes sp. SE50/110 [GenBank:CP003170], the first publicly available genome of the genus Actinoplanes, comprising various producers of pharmaceutically and economically important secondary metabolites. The genome features a high mean G + C content of 71.32% and consists of one circular chromosome with a size of 9,239,851 bp hosting 8,270 predicted protein coding sequences. Phylogenetic analysis of the core genome revealed a rather distant relation to other sequenced species of the family Micromonosporaceae whereas Actinoplanes utahensis was found to be the closest species based on 16S rRNA gene sequence comparison. Besides the already published acarbose biosynthetic gene cluster sequence, several new non-ribosomal peptide synthetase-, polyketide synthase- and hybrid-clusters were identified on the Actinoplanes genome. Another key feature of the genome represents the discovery of a functional actinomycete integrative and conjugative element. Conclusions The complete genome sequence of Actinoplanes sp. SE50/110 marks an important step towards the rational genetic optimization of the acarbose production. In this regard, the identified actinomycete integrative and conjugative element could play a central role by providing the basis for the development of a genetic transformation system for Actinoplanes sp. SE50/110 and other Actinoplanes spp. Furthermore, the identified non-ribosomal peptide synthetase- and polyketide synthase-clusters potentially encode new antibiotics and/or other bioactive compounds, which might be of pharmacologic interest. PMID:22443545

The complete genome sequence of the acarbose producer Actinoplanes sp. SE50/110.

PubMed

Schwientek, Patrick; Szczepanowski, Rafael; Rückert, Christian; Kalinowski, Jörn; Klein, Andreas; Selber, Klaus; Wehmeier, Udo F; Stoye, Jens; Pühler, Alfred

2012-03-23

Actinoplanes sp. SE50/110 is known as the wild type producer of the alpha-glucosidase inhibitor acarbose, a potent drug used worldwide in the treatment of type-2 diabetes mellitus. As the incidence of diabetes is rapidly rising worldwide, an ever increasing demand for diabetes drugs, such as acarbose, needs to be anticipated. Consequently, derived Actinoplanes strains with increased acarbose yields are being used in large scale industrial batch fermentation since 1990 and were continuously optimized by conventional mutagenesis and screening experiments. This strategy reached its limits and is generally superseded by modern genetic engineering approaches. As a prerequisite for targeted genetic modifications, the complete genome sequence of the organism has to be known. Here, we present the complete genome sequence of Actinoplanes sp. SE50/110 [GenBank:CP003170], the first publicly available genome of the genus Actinoplanes, comprising various producers of pharmaceutically and economically important secondary metabolites. The genome features a high mean G + C content of 71.32% and consists of one circular chromosome with a size of 9,239,851 bp hosting 8,270 predicted protein coding sequences. Phylogenetic analysis of the core genome revealed a rather distant relation to other sequenced species of the family Micromonosporaceae whereas Actinoplanes utahensis was found to be the closest species based on 16S rRNA gene sequence comparison. Besides the already published acarbose biosynthetic gene cluster sequence, several new non-ribosomal peptide synthetase-, polyketide synthase- and hybrid-clusters were identified on the Actinoplanes genome. Another key feature of the genome represents the discovery of a functional actinomycete integrative and conjugative element. The complete genome sequence of Actinoplanes sp. SE50/110 marks an important step towards the rational genetic optimization of the acarbose production. In this regard, the identified actinomycete integrative and conjugative element could play a central role by providing the basis for the development of a genetic transformation system for Actinoplanes sp. SE50/110 and other Actinoplanes spp. Furthermore, the identified non-ribosomal peptide synthetase- and polyketide synthase-clusters potentially encode new antibiotics and/or other bioactive compounds, which might be of pharmacologic interest.

Calorie restriction and corticosterone elevation during lactation can each modulate adult male fear and anxiety-like behaviour.

PubMed

Govic, Antonina; Bell, Veronica; Samuel, Anil; Penman, Jim; Paolini, Antonio G

2014-09-01

Early life events, such as calorie restriction (CR) and elevated glucocorticoids, can calibrate the lifelong behavioural and physiological profile of an individual. Stress reactivity in adulthood is particularly sensitive to early life events; however, the consequence to fear and anxiety-like behaviour is less clear. Consequently, the current study sought to examine the effects of post-natal CR and glucocorticoid elevation, long considered powerful programming stimuli, on the subsequent fear and anxiety behaviour of the adult offspring. Rat dams received either corticosterone (200 μg/ml) supplementation in drinking water (CORT) or a 25% CR from post-natal day (PND) 1 to 11. Responses to the elevated plus maze (EPM), open field and a predator odour (TMT; 2,5-dihydro-2,4,5-trimethylthiazoline) were characterised in the adult male offspring. Both treatment conditions resulted in enhanced fear responses to TMT, characterised by heightened risk assessment and increased avoidance of TMT. CORT nursed offspring further demonstrated an anxiogenic profile in the open field. Basal hypothalamic-pituitary-adrenal function was unchanged in CORT adult offspring, whilst corticosterone concentration was elevated by post-natal CR. CR and CORT treated dams both exhibited greater anxiety-like behaviour in the EPM. A modest and temporary enhancement of maternal care was observed in CR and CORT treated dams, with CR dams further exhibiting rapid pup retrieval latencies. The results indicate enhanced emotionality in the adult male progeny of dams exposed to CR and corticosterone supplementation during the post-natal period. The modest enhancement of maternal care observed by both treatments is unlikely to have influenced the behavioural profile of the offspring. Copyright © 2014. Published by Elsevier Inc.

Possible involvement of corticosterone and serotonin in antidepressant and antianxiety effects of chromium picolinate in chronic unpredictable mild stress induced depression and anxiety in rats.

PubMed

Dubey, Vivek Kumar; Ansari, Faraha; Vohora, Divya; Khanam, Razia

2015-01-01

In the present study, we investigated the effects of chromium picolinate (CrP) on behavioural and biochemical parameters in chronic unpredictable mild stress (CUMS) induced depression and anxiety in rats. The normal and stressed male Swiss albino rats were administered CrP (8 and 16μg/mL in drinking water), they received stressors for seven days (each day one stressor) and this cycle was repeated three times for 21 days. On 22nd day, behaviour assessments followed by biochemical estimations were conducted. The results showed that treatment of CrP produced significant antidepressant effect, which has been evidenced by decrease in immobility time in modified forced swimming test (FST) in chronic unpredictable mild stress (CUMS) induced depression in rats. In elevated plus maze (EPM), CrP (16μg/mL) showed significant reduction in time spent in open arm. CrP (8μg/mL and 16μg/mL) also showed significant decrease in number of entries in open arm that shows antianxiety effect of CrP in CUMS rats. It was also found that CrP (8 and 16μg/mL) significantly increased 5-HT concentration in the discrete regions of brain (cortex and cerebellum). On the other hand, the plasma corticosterone level was significantly decreased with CrP (16μg/mL). The results suggested that increase in the concentration of 5-HT and decrease in plasma corticosterone levels could be responsible for improvement in symptoms of depression and anxiety in CUMS induced depression and anxiety in rats. Copyright © 2014 Elsevier GmbH. All rights reserved.

A multi-scale study of the adsorption of lanthanum on the (110) surface of tungsten

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

Samin, Adib J.; Zhang, Jinsuo

In this study, we utilize a multi-scale approach to studying lanthanum adsorption on the (110) plane of tungsten. The energy of the system is described from density functional theory calculations within the framework of the cluster expansion method. It is found that including two-body figures up to the sixth nearest neighbor yielded a reasonable agreement with density functional theory calculations as evidenced by the reported cross validation score. The results indicate that the interaction between the adsorbate atoms in the adlayer is important and cannot be ignored. The parameterized cluster expansion expression is used in a lattice gas Monte Carlomore » simulation in the grand canonical ensemble at 773 K and the adsorption isotherm is recorded. Implications of the obtained results for the pyroprocessing application are discussed.« less

Electron correlation contribution to the physisorption of CO on MgF2(110).

PubMed

Hammerschmidt, Lukas; Müller, Carsten; Paulus, Beate

2012-03-28

We have performed CCSD(T), MP2, and DF-LMP2 calculations of the interaction energy of CO on the MgF(2)(110) surface by applying the method of increments and an embedded cluster model. In addition, we performed periodic HF, B3LYP, and DF-LMP2 calculations and compare them to the cluster results. The incremental CCSD(T) calculations predict an interaction energy of E(int) = -0.37 eV with a C-down orientation of CO above a Mg(2+) ion at the surface with a basis set of VTZ quality. We find that electron correlation constitutes about 50% of the binding energy and a detailed evaluation of the increments shows that the largest contribution to the correlation energy originates from the CO interaction with the closest F ions on the second layer.

Chemical Abundances of Main-sequence, Turnoff, Subgiant, and Red Giant Stars from APOGEE Spectra. I. Signatures of Diffusion in the Open Cluster M67

NASA Astrophysics Data System (ADS)

Souto, Diogo; Cunha, Katia; Smith, Verne V.; Allende Prieto, C.; García-Hernández, D. A.; Pinsonneault, Marc; Holzer, Parker; Frinchaboy, Peter; Holtzman, Jon; Johnson, J. A.; Jönsson, Henrik; Majewski, Steven R.; Shetrone, Matthew; Sobeck, Jennifer; Stringfellow, Guy; Teske, Johanna; Zamora, Olga; Zasowski, Gail; Carrera, Ricardo; Stassun, Keivan; Fernandez-Trincado, J. G.; Villanova, Sandro; Minniti, Dante; Santana, Felipe

2018-04-01

Detailed chemical abundance distributions for 14 elements are derived for eight high-probability stellar members of the solar metallicity old open cluster M67 with an age of ∼4 Gyr. The eight stars consist of four pairs, with each pair occupying a distinct phase of stellar evolution: two G dwarfs, two turnoff stars, two G subgiants, and two red clump (RC) K giants. The abundance analysis uses near-IR high-resolution spectra (λ1.5–1.7 μm) from the Apache Point Observatory Galactic Evolution Experiment survey and derives abundances for C, N, O, Na, Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, and Fe. Our derived stellar parameters and metallicity for 2M08510076+1153115 suggest that this star is a solar twin, exhibiting abundance differences relative to the Sun of ≤0.04 dex for all elements. Chemical homogeneity is found within each class of stars (∼0.02 dex), while significant abundance variations (∼0.05–0.20 dex) are found across the different evolutionary phases; the turnoff stars typically have the lowest abundances, while the RCs tend to have the largest. Non-LTE corrections to the LTE-derived abundances are unlikely to explain the differences. A detailed comparison of the derived Fe, Mg, Si, and Ca abundances with recently published surface abundances from stellar models that include chemical diffusion provides a good match between the observed and predicted abundances as a function of stellar mass. Such agreement would indicate the detection of chemical diffusion processes in the stellar members of M67.

Analysis of Spectral-type A/B Stars in Five Open Clusters

NASA Astrophysics Data System (ADS)

Wilhelm, Ronald J.; Rafuil Islam, M.

2014-01-01

We have obtained low resolution (R = 1000) spectroscopy of N=68, spectral-type A/B stars in five nearby open star clusters using the McDonald Observatory, 2.1m telescope. The sample of blue stars in various clusters were selected to test our new technique for determining interstellar reddening and distances in areas where interstellar reddening is high. We use a Bayesian approach to find the posterior distribution for Teff, Logg and [Fe/H] from a combination of reddened, photometric colors and spectroscopic line strengths. We will present calibration results for this technique using open cluster star data with known reddening and distances. Preliminary results suggest our technique can produce both reddening and distance determinations to within 10% of cluster values. Our technique opens the possibility of determining distances for blue stars at low Galactic latitudes where extinction can be large and differential. We will also compare our stellar parameter determinations to previously reported MK spectral classifications and discuss the probability that some of our stars are not members of their reported clusters.

Prevention by cromakalim of spontaneously occurring cardiac necroses in polymyopathic hamsters.

PubMed

Jasmin, G; Proschek, L

1996-11-01

Previous studies on the heart necrotizing process at early stages of the hamster polymyopathy have led us to believe that this hereditary disease derives from a defective transmembrane ion flux resulting in myocardial Ca2+ over-load. On the other hand, certain K+ ATP channel openers were shown to prevent cytosolic Ca2+ accumulation in ischemic hearts. Therefore, we investigated the potential beneficial effect of chronic treatment with cromakalim (CR) on the development of necrotic changes in hamster myopathic hearts. Young cardiomyopathic (CM) hamsters were treated parenterally with CR over 4 consecutive weeks. The K+ ATP opener was dissolved in 5% DMSO and injected twice daily (s.c. and i.p. alternatively) at a dose level of 2.5 mg/kg per injection. Microscopic readings were carried out in staged serial paraffin sections of heart ventricles, the diaphragm, and tongue, will all tissues freshly taken at autopsy. In comparison with control untreated hearts, which exhibit numerous necrotic calcific foci, only minute myolytic lesions were found in 5 of 12 hamsters hearts receiving CR (p < 0.0001). Interestingly, the dystrophic process in the tongue was significantly less severe (p < 0.0004) in CR-treated animals. These observations provide evidence for the first time that in vivo sustained treatment with a K+ ATP opener exerts cardioprotection upon development of the hamster hereditary cardiomyopathy.

Nanoscale in-depth modification of CrOSi layers

NASA Astrophysics Data System (ADS)

Bertóti, I.; Tóth, A.; Mohai, M.; Kelly, R.; Marletta, G.; Farkas-Jahnke, M.

1997-02-01

In-depth modification of CrOSi layers on a nanoscale has been performed by low energy inert (Ar +, He +) and reactive (N 2+) ions. Chemical and short range structural investigations were done by XPS. Cr and Si were essentially oxidised in the as-prepared (i.e. virgin) samples. Ar + bombardment led to a nearly complete reduction of Cr to Cr 0. At the same time, about one third of the oxidised Si was converted to Si 0, which was shown to form SiCr bonds. Also, silicide type clusters, predicted earlier by XPS, have been identified by glancing angle electron diffraction. He + bombardment led to an increase of the surface O concentration. This was manifested also in the disruption of SiCr bonds formed by the preceding Ar + bombardment and conversion of Cr and Si predominantly to Cr 3+O, Cr 6+O and Si 4+O. With N 2+ bombardment formation of CrN and SiN bonds was observed. The thickness of the transformed surface layers were about 5 nm, 9 nm and 30 nm for Ar, N and He projectiles as estimated by TRIM calculations. The observed transformations were interpreted in terms of the relative importance of sputtering or ion induced mixing for Ar + and He +, and also by the role of thermodynamic driving forces.

Trivalent Chromium Supplementation Ameliorates Oleic Acid-Induced Hepatic Steatosis in Mice.

PubMed

Wang, Song; Wang, Jian; Liu, Yajing; Li, Hui; Wang, Qiao; Huang, Zhiwei; Liu, Wenbin; Shi, Ping

2018-05-24

Trivalent chromium [Cr(III)] is recognized as an essential trace element for human health, whereas its effect on hepatic lipid metabolism has not yet been fully understood. This study aimed to investigate the beneficial effects and potential mechanisms of Cr(III) on hepatic steatosis in an oleic acid (OA) induced mice model. Mice were fed with high OA for 12 weeks to induce lipid accumulation, and co-administrated with Cr(III) supplementation. Indexes of liver lipid accumulation, associated lipid genes expression, fatty acids (FAs) profile and inflammatory cytokines were analyzed. The data showed that Cr(III) supplementation could attenuate disease progress of hepatic steatosis and protect liver from high OA. After Cr(III) supplementation, elevated body weight and liver injury in steatosis mice were reversed, excessive lipid accumulation and FAs were also reduced. The up-regulation of cluster of differentiation 36 (CD36) and diacylglycerol acyltransferase 2 (DGAT2) following steatosis induction were inhibited by Cr(III). Cr(III) reduced the content of pro-inflammatory cytokines (IL-1β and TNF-α, IL-12) and restored the level of anti-inflammatory cytokine (IL-10) to the control values. Our results suggest that Cr(III) supplementation is a novel strategy for alleviating OA-induced hepatic steatosis.

Hybrid Assembly of Different-Sized Supertetrahedral Clusters into a Unique Non-Interpenetrated Mn-In-S Open Framework with Large Cavity.

PubMed

Wang, Hongxiang; Wang, Wei; Hu, Dandan; Luo, Min; Xue, Chaozhuang; Li, Dongsheng; Wu, Tao

2018-06-04

Reported here is a unique crystalline semiconductor open-framework material built from the large-sized supertetrahedral T4 and T5 clusters with the Mn-In-S compositions. The hybrid assembly between T4 and T5 clusters by sharing terminal μ 2 -S 2- is for the first time observed among the cluster-based chalcogenide open frameworks. Such three-dimensional structure displays non-interpenetrated diamond-type topology with extra-large nonframework volume of 82%. Moreover, ion exchange, CO 2 adsorption, as well as photoluminescence properties of the title compound are also investigated.

Characterizing X-ray Sources in the Rich Open Cluster NGC 7789 Using XMM-Newton

NASA Astrophysics Data System (ADS)

Farner, William; Pooley, David

2018-01-01

It is well established that globular clusters exhibit a correlation between their population of exotic binaries and their rate of stellar encounters, but little work has been done to characterize this relationship in rich open clusters. X-ray observations are the most efficient means to find various types of close binaries, and optical (and radio) identifications can provide secure source classifications. We report on an observation of the rich open cluster NGC 7789 using the XMM-Newton observatory. We present the X-ray and optical imaging data, source lists, and preliminary characterization of the sources based on their X-ray and multiwavelength properties.

Open clusters as laboratories: The angular momentum evolution of young stars

NASA Technical Reports Server (NTRS)

Stauffer, John R.

1994-01-01

This is the annual status report for the third year of our LTSA grant 'Open Clusters as Laboratories.' Because we have now had a few years to work on the project, we have started to produce and publish a large number of papers. We have been extremely successful in obtaining ROSAT observations of open clusters. With the demise of the PSPC on ROSAT, our main data source has come to an end and we will be able to concentrate on analyzing those data.

Low-field spin dynamics of Cr7Ni and Cr7Ni-Cu -Cr 7Ni molecular rings as detected by μ SR

NASA Astrophysics Data System (ADS)

Sanna, S.; Arosio, P.; Bordonali, L.; Adelnia, F.; Mariani, M.; Garlatti, E.; Baines, C.; Amato, A.; Sabareesh, K. P. V.; Timco, G.; Winpenny, R. E. P.; Blundell, S. J.; Lascialfari, A.

2017-11-01

Muon spin rotation measurements were used to investigate the spin dynamics of heterometallic Cr7Ni and Cr7Ni -Cu-Cr7Ni molecular clusters. In Cr7Ni the magnetic ions are arranged in a quasiplanar ring and interact via an antiferromagnetic exchange coupling constant J , while Cr7Ni -Cu-Cr7Ni is composed of two Cr7Ni linked by a bridging moiety containing one Cu ion, that induces an inter-ring ferromagnetic interaction J'≪J . The longitudinal muon relaxation rate λ collected at low magnetic fields μ0H <0.15 Tesla, shows that the two systems present differences in spin dynamics vs temperature. While both samples exhibit a main peak in the muon relaxation rate vs temperature, at T ˜10 K for Cr7Ni and T ˜8 K for Cr7Ni -Cu-Cr7Ni , the two compounds have distinct additional features: Cr7Ni shows a shoulder in λ (T ) for T <8 K, while Cr7Ni -Cu-Cr7Ni shows a flattening of λ (T ) for T <2 K down to temperatures as low as T =20 mK. The main peak of both systems is explained by a Bloembergen-Purcell-Pound (BPP)-like heuristic fitting model that takes into account of a distribution of electronic spin characteristic times for T >5 K, while the shoulder presented by Cr7Ni can be reproduced by a BPP function that incorporates a single electronic characteristic time theoretically predicted to dominate for T <5 K. The flattening of λ (T ) in Cr7Ni -Cu-Cr7Ni occurring at very low temperature can be tentatively attributed to field-dependent quantum effects and/or to an inelastic term in the spectral density of the electronic spin fluctuations.

Remediation of chromium-slag leakage with electricity cogeneration via a urea-Cr(VI) cell

PubMed Central

Yu, Binbin; Zhang, Huimin; Xu, Wei; Li, Gang; Wu, Zucheng

2014-01-01

Chromium pollution has been historically widespread throughout the world. Most available remediation technologies often require energy consumption. This study is aimed to develop electrochemical remediation for Cr(VI) in chromium-slag leakage with self-generated electricity. Dynamic leaching experiments of chromium-slag samples were conducted to survey the release and leaching behavior of Cr(VI). Based on previous work, a unique urea-Cr(VI) was designed, in which urea was employed as the fuel and Cr(VI) from the leakage of the dichromate slag served as the oxidant. Furthermore, the electrochemical results showed that the removal percent of Cr(VI) was more than 96% after 18 h with the leakage Cr(VI) concentration of 2.69 mM. The open circuit potential (OCP) varied in the range of 1.56 ~ 1.59 V under different initial Cr(VI) leakage concentrations. The approach explores the feasibility of the promising technique without the need of energy input for simultaneous chromium-slag remediation and generation of electricity. PMID:25168513

Theoretical Investigation of Stabilizing Mechanism by Boron in Body-Centered Cubic Iron Through (Fe,Cr)23(C,B)6 Precipitates

NASA Astrophysics Data System (ADS)

Sahara, Ryoji; Matsunaga, Tetsuya; Hongo, Hiromichi; Tabuchi, Masaaki

2016-05-01

Small amounts of boron improve the mechanical properties in high-chromium ferritic heat-resistant steels. In this work, the stabilizing mechanism by boron in body-centered cubic iron (bcc Fe) through (Fe,Cr)23(C,B)6 precipitates was investigated by first-principles calculations. Formation energy analysis of (Fe,Cr)23(C,B)6 reveals that the compounds become more stable to elemental solids as the boron concentration increases. Furthermore, the interface energy of bcc Fe(110) || Fe23(C,B)6(111) also decreases with boron concentration in the compounds. The decreased interface energy caused by boron addition is explained by the balance between the change in the phase stability of the precipitates and the change in the misfit parameter for the bcc Fe matrix and the precipitates. These results show that boron stabilizes the microstructure of heat-resistant steels, which is important for understanding the origins of the creep strength in ferritic steels.

Structure of the SnO2(110 ) -(4 ×1 ) Surface

NASA Astrophysics Data System (ADS)

Merte, Lindsay R.; Jørgensen, Mathias S.; Pussi, Katariina; Gustafson, Johan; Shipilin, Mikhail; Schaefer, Andreas; Zhang, Chu; Rawle, Jonathan; Nicklin, Chris; Thornton, Geoff; Lindsay, Robert; Hammer, Bjørk; Lundgren, Edvin

2017-09-01

Using surface x-ray diffraction (SXRD), quantitative low-energy electron diffraction (LEED), and density-functional theory (DFT) calculations, we have determined the structure of the (4 ×1 ) reconstruction formed by sputtering and annealing of the SnO2(110 ) surface. We find that the reconstruction consists of an ordered arrangement of Sn3O3 clusters bound atop the bulk-terminated SnO2(110 ) surface. The model was found by application of a DFT-based evolutionary algorithm with surface compositions based on SXRD, and shows excellent agreement with LEED and with previously published scanning tunneling microscopy measurements. The model proposed previously consisting of in-plane oxygen vacancies is thus shown to be incorrect, and our result suggests instead that Sn(II) species in interstitial positions are the more relevant features of reduced SnO2(110 ) surfaces.

A Study of The Binary and Anomalous Stellar Populations in Two Intermediate-Aged Open Clusters

NASA Astrophysics Data System (ADS)

Mathieu, Robert D.; Milliman, Katelyn; Geller, Aaron M.; Gosnell, Natalie

2010-08-01

``Anomalous'' stars, such as blue stragglers and more recently sub- subgiants, have been an enduring challenge for stellar evolution theory. It is now clear that in star clusters these systems are closely linked to the binary star populations. Furthermore, sophisticated N-body models show that stellar dynamical processes play a central role in the formation of such anomalous stars. These stars trace the interface between the classical fields of stellar evolution and stellar dynamics. We propose to expand our highly successful radial-velocity survey to include two new rich open clusters NGC 7789 (1.8 Gyr, -0.1 dex) and NGC 2506 (2.1 Gyr, -0.4 dex) as part of the WIYN Open Cluster Study (WOCS). Though these two clusters are both of intermediate age and of similar richness, they have quite different blue straggler populations. NGC 2506 has only 10 known blue stragglers, while NGC 7789 has at least 27, among the largest known populations of blue stragglers in an open cluster. Defining the hard-binary populations in these two clusters is critical for understanding the factors that determine blue straggler production rates. Our proposed observations will establish the hard- binary fraction and frequency distributions of orbital parameters (periods, eccentricities, mass-ratios, etc.) for orbital periods approaching the hard-soft boundary, and will provide a comprehensive survey of the blue stragglers and other anomalous stars, including secure cluster memberships and binary properties. These data will then form direct constraints for detailed N-body open cluster simulations from which we will study the impact of the hard-binary population on the production rates and mechanisms of blue stragglers.

Open clusters in Auriga OB2

NASA Astrophysics Data System (ADS)

Marco, Amparo; Negueruela, Ignacio

2016-06-01

We study the area around the H II region Sh 2-234, including the young open cluster Stock 8, to investigate the extent and definition of the association Aur OB2 and the possible role of triggering in massive cluster formation. We obtained Strömgren and J, H, KS photometry for Stock 8 and Strömgren photometry for two other cluster candidates in the area, which we confirm as young open clusters and name Alicante 11 and Alicante 12. We took spectroscopy of ˜33 early-type stars in the area, including the brightest cluster members. We calculate a common distance of 2.80^{+0.27}_{-0.24} kpc for the three open clusters and surrounding association. We derive an age 4-6 Ma for Stock 8, and do not find a significantly different age for the other clusters or the association. The star LS V +34°23, with spectral type O8 II(f), is likely the main source of ionization of Sh 2-234. We observe an important population of pre-main-sequence stars, some of them with discs, associated with the B-type members lying on the main sequence. We interpret the region as an area of recent star formation with some residual and very localized ongoing star formation. We do not find evidence for sequential star formation on a large scale. The classical definition of Aur OB2 has to be reconsidered, because its two main open clusters, Stock 8 and NGC 1893, are not at the same distance. Stock 8 is probably located in the Perseus arm, but other nearby H II regions whose distances also place them in this arm show quite different distances and radial velocities and, therefore, are not connected.

Open-Source Sequence Clustering Methods Improve the State Of the Art.

PubMed

Kopylova, Evguenia; Navas-Molina, Jose A; Mercier, Céline; Xu, Zhenjiang Zech; Mahé, Frédéric; He, Yan; Zhou, Hong-Wei; Rognes, Torbjørn; Caporaso, J Gregory; Knight, Rob

2016-01-01

Sequence clustering is a common early step in amplicon-based microbial community analysis, when raw sequencing reads are clustered into operational taxonomic units (OTUs) to reduce the run time of subsequent analysis steps. Here, we evaluated the performance of recently released state-of-the-art open-source clustering software products, namely, OTUCLUST, Swarm, SUMACLUST, and SortMeRNA, against current principal options (UCLUST and USEARCH) in QIIME, hierarchical clustering methods in mothur, and USEARCH's most recent clustering algorithm, UPARSE. All the latest open-source tools showed promising results, reporting up to 60% fewer spurious OTUs than UCLUST, indicating that the underlying clustering algorithm can vastly reduce the number of these derived OTUs. Furthermore, we observed that stringent quality filtering, such as is done in UPARSE, can cause a significant underestimation of species abundance and diversity, leading to incorrect biological results. Swarm, SUMACLUST, and SortMeRNA have been included in the QIIME 1.9.0 release. IMPORTANCE Massive collections of next-generation sequencing data call for fast, accurate, and easily accessible bioinformatics algorithms to perform sequence clustering. A comprehensive benchmark is presented, including open-source tools and the popular USEARCH suite. Simulated, mock, and environmental communities were used to analyze sensitivity, selectivity, species diversity (alpha and beta), and taxonomic composition. The results demonstrate that recent clustering algorithms can significantly improve accuracy and preserve estimated diversity without the application of aggressive filtering. Moreover, these tools are all open source, apply multiple levels of multithreading, and scale to the demands of modern next-generation sequencing data, which is essential for the analysis of massive multidisciplinary studies such as the Earth Microbiome Project (EMP) (J. A. Gilbert, J. K. Jansson, and R. Knight, BMC Biol 12:69, 2014, http://dx.doi.org/10.1186/s12915-014-0069-1).

Photometry Using Kepler "Superstamps" of Open Clusters NGC 6791 & NGC 6819

NASA Astrophysics Data System (ADS)

Kuehn, Charles A.; Drury, Jason A.; Bellamy, Beau R.; Stello, Dennis; Bedding, Timothy R.; Reed, Mike; Quick, Breanna

2015-09-01

The Kepler space telescope has proven to be a gold mine for the study of variable stars. Usually, Kepler only reads out a handful of pixels around each pre-selected target star, omitting a large number of stars in the Kepler field. Fortunately, for the open clusters NGC 6791 and NGC 6819, Kepler also read out larger "superstamps" which contained complete images of the central region of each cluster. These cluster images can be used to study additional stars in the open clusters that were not originally on Kepler's target list. We discuss our work on using two photometric techniques to analyze these superstamps and present sample results from this project to demonstrate the value of this technique for a wide variety of variable stars.

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

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior formore » strong correlation without requiring symmetry breaking in the reference. Here, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference.« less

Cr(VI) removal by FeS-coated alumina, silica, and natural sand

NASA Astrophysics Data System (ADS)

Park, M.; Lee, S.; Jeong, H. Y.

2014-12-01

Removal of Cr(VI) was investigated using mackinawite (FeS)-coated mineral sorbents under anoxic conditions. The sorbents included alumina (Al), silica (WS), and natural sand (NS). By analysis of both solution and solid phases, all FeS-coated sorbents were found to reduce Cr(VI) into Cr(III). The sorption extent and mechanism of Cr(VI) strongly depended on the pH conditions. Only at pH 4.5, significant amounts of the dissolved Cr remained in the solution. Titration of dissolved Cr(III) and Fe(III) by NaOH solutions indicated that no bulk-phase precipitation occurred at pH 4.5. Also, the removal of Cr(VI) at pH 4.5 was the greatest by FeS-coated NS. Consistent with these, Cr-K edge EXAFS revealed that Cr was removed by FeS-coated NS via surface precipitation, and that it was immobilized by FeS-coated WS and Al by forming surface clusters. Regardless of FeS-coated sorbents, at pH 7.0 and pH 9.5, the initially added Cr(VI) was quantitatively removed from the solution phase. By EXAFS analysis, the Cr sorption by FeS-coated Al was mainly due to the bulk-phase precipitation of Cr(OH)3(s) or [Cr, Fe](OH)3(s). In case of FeS-coated WS and NS, the short Cr-Cr distance (~2.6 Å) at pH 7.0 and pH 9.5 was not simply accounted for by the bulk precipitation as either hydroxide (rCr-Cr ~ 3.0 Å), and it would rather result from the surface precipitation. Such a difference in the coordination structure among FeS-coated sorbents was likely due to in the lower surface area of the former available for the surface precipitation.

Development and Evaluation of Processes for Deposition of Ni/Co-Cr-Aly (MCrAly) Coatings for Gas Turbine Components.

DTIC Science & Technology

1979-09-01

turbine engines demand increasingly higher operating tem- peratures in blades and vanes for greater thrust and efficiency. The turbine components...limitations; namely, expense and the inability to uniformly coat complex geometries and clustered turbine blade and vane airfoils . Thus, another means of...cost and the ability to uniformly coat turbine components of complex geometries and clustered turbine blade and vane airfoils .

Molecular Interactions and Properties with Many-Body Methods

DTIC Science & Technology

1990-04-17

AFOSR have been identified in a book by Schaefer , Quantum Chemistry (Oxford, 1984), as being among the 149 most influential papers in the 50-year...Coupled Cluster Investigation of Isomerization Reactions: HCN*HNC, BH3CN-BH 3NC- and HCNBH3 *HNCBH3," J. Am. Chem. Soc. 110, 4926 (1988). 21. M. Rittby...Kucharski, J. Noga and R.J. Bartlett, J. Chem. Phys. 88, 1035 (1988). 49. H. Urban and R.J. Bartlett, J. Am. Chem. Soc. 110, 4926 (1988). 50. G.D

Magnetic switching in Crx (x = 2-8) and its oxide cluster series

NASA Astrophysics Data System (ADS)

Shah, Esha V.; Roy, Debesh R.

2018-04-01

First principle studies on the magnetic ground state structure, noncollinearity, binding energy and various electronic properties of a series of Crx (x = 2-8) clusters are performed. In order to investigate the effect of ionization and oxidation on the clusters, the anionic (Crx-) and oxidized (CrxO2) analogues of those clusters are also studied in detail. To calculate adiabatic electron affinity of CrxO2 clusters, additionally CrxO2- analogues are also included in the present work. An interesting even (non-magnetic) - odd (magnetic) feature in the considered cluster series has been noticed. The similar behavior is also reflected from their electronic properties as even (less reactive) - odd (more reactive). The most of the neutral and ionized chromium clusters, viz., Crx and Crx- are found to be noncollinear in their ground states, whereas oxidation stabilized those clusters into the collinear spin alignments. The bond distances of Cr clusters are found to be close with available experimental studies.

30 CFR 291.110 - Who may MMS require to produce information?

Code of Federal Regulations, 2010 CFR

2010-07-01

... OPEN AND NONDISCRIMINATORY ACCESS TO OIL AND GAS PIPELINES UNDER THE OUTER CONTINENTAL SHELF LANDS ACT... make a decision on whether open access or nondiscriminatory access was denied. (b) If you are a party...

30 CFR 291.110 - Who may MMS require to produce information?

Code of Federal Regulations, 2011 CFR

2011-07-01

..., DEPARTMENT OF THE INTERIOR APPEALS OPEN AND NONDISCRIMINATORY ACCESS TO OIL AND GAS PIPELINES UNDER THE OUTER... believes is necessary to make a decision on whether open access or nondiscriminatory access was denied. (b...

A Saccharomyces cerevisiae mitochondrial DNA fragment activates Reg1p-dependent glucose-repressible transcription in the nucleus.

PubMed

Santangelo, G M; Tornow, J

1997-12-01

As part of an effort to identify random carbon-source-regulated promoters in the Saccharomyces cerevisiae genome, we discovered that a mitochondrial DNA fragment is capable of directing glucose-repressible expression of a reporter gene. This fragment (CR24) originated from the mitochondrial genome adjacent to a transcription initiation site. Mutational analyses identified a GC cluster within the fragment that is required for transcriptional induction. Repression of nuclear CR24-driven transcription required Reg1p, indicating that this mitochondrially derived promoter is a member of a large group of glucose-repressible nuclear promoters that are similarly regulated by Reg1p. In vivo and in vitro binding assays indicated the presence of factors, located within the nucleus and the mitochondria, that bind to the GC cluster. One or more of these factors may provide a regulatory link between the nucleus and mitochondria.

A DFT investigation on geometry and chemical bonding of isoelectronic Si8N6V-, Si8N6Cr, and Si8N6Mn+ clusters

NASA Astrophysics Data System (ADS)

Tam, Nguyen Minh; Pham, Hung Tan; Cuong, Ngo Tuan; Tung, Nguyen Thanh

2017-10-01

The geometric feature and chemical bonding of isoelectronic systems Si8N6Mq (M = V, Cr, Mn and q = -1, 0, 1, respectively) are investigated by means of density-functional-theory calculations. The encapsulated form is found for all ground-state structures, where the metal atom locates at the central site of the hollow Si8N6 cage. The Si8N6 cage is established by adding two Si atoms to a distorted Si6N6 prism, which is a combination of Si4N2 and Si2N4 strings. Chemical bonding of Si8N6Mq systems is explored by using the electron localization indicator and theory of atom in molecule, revealing the vital role of metal center in stabilizing the clusters.

Suppression of vacancy cluster growth in concentrated solid solution alloys

DOE PAGES

Zhao, Shijun; Velisa, Gihan; Xue, Haizhou; ...

2016-12-13

Large vacancy clusters, such as stacking-fault tetrahedra, are detrimental vacancy-type defects in ion-irradiated structural alloys. Suppression of vacancy cluster formation and growth is highly desirable to improve the irradiation tolerance of these materials. In this paper, we demonstrate that vacancy cluster growth can be inhibited in concentrated solid solution alloys by modifying cluster migration pathways and diffusion kinetics. The alloying effects of Fe and Cr on the migration of vacancy clusters in Ni concentrated alloys are investigated by molecular dynamics simulations and ion irradiation experiment. While the diffusion coefficients of small vacancy clusters in Ni-based binary and ternary solid solutionmore » alloys are higher than in pure Ni, they become lower for large clusters. This observation suggests that large clusters can easily migrate and grow to very large sizes in pure Ni. In contrast, cluster growth is suppressed in solid solution alloys owing to the limited mobility of large vacancy clusters. Finally, the differences in cluster sizes and mobilities in Ni and in solid solution alloys are consistent with the results from ion irradiation experiments.« less

Sigma-phase packing of icosahedral clusters in 780-atom tetragonal crystals of Cr5Ni3Si2 and V15Ni10Si that by twinning achieve 8-fold rotational point-group symmetry

PubMed Central

Pauling, Linus

1988-01-01

A 780-atom primitive tetragonal unit with edges 27.3, 27.3, and 12.6 Å is assigned to rapidly solidified Cu5Ni3Si2 and V15Ni10Si by analysis of electron diffraction photographs with the assumption that the crystals contain icosahedral clusters. There are thirty 26-atom clusters at the sigma-phase positions. Apparent 8-fold symmetry results from 45° twinning on the basal plane. PMID:16593915

Sigma-phase packing of icosahedral clusters in 780-atom tetragonal crystals of Cr(5)Ni(3)Si(2) and V(15)Ni(10)Si that by twinning achieve 8-fold rotational point-group symmetry.

PubMed

Pauling, L

1988-04-01

A 780-atom primitive tetragonal unit with edges 27.3, 27.3, and 12.6 A is assigned to rapidly solidified Cu(5)Ni(3)Si(2) and V(15)Ni(10)Si by analysis of electron diffraction photographs with the assumption that the crystals contain icosahedral clusters. There are thirty 26-atom clusters at the sigma-phase positions. Apparent 8-fold symmetry results from 45 degrees twinning on the basal plane.

Radiation-sustained nanocluster metastability in oxide dispersion strengthened materials

NASA Astrophysics Data System (ADS)

Ribis, J.; Bordas, E.; Trocellier, P.; Serruys, Y.; de Carlan, Y.; Legris, A.

2015-12-01

ODS materials constitute a new promising class of structural materials for advanced fission and fusion energy application. These Fe-Cr based ferritic steels contain ultra-high density of dispersion-strengthening nanoclusters conferring excellent mechanical properties to the alloy. Hence, guarantee the nanocluster stability under irradiation remain a critical issue. Nanoclusters are non-equilibrium multicomponent compounds (YTiCrO) forming through a complex nucleation pathway during the elaboration process. In this paper, it is proposed to observe the response of these nanoclusters when the system is placed far from equilibrium by means of ion beam. The results indicate that the Y, Ti, O and Cr atoms self-organized so that nanoclusters coarsened but maintain their non-equilibrium chemical composition. It is discussed that the radiation-sustained nanocluster metastability emerges from cooperative effects: radiation-induced Ostwald ripening, permanent creation of vacancies in the clusters, and fast Cr diffusion mediated by interstitials.

The clearance mechanism of chilled blood platelets.

PubMed

Hoffmeister, Karin M; Felbinger, Thomas W; Falet, Hervé; Denis, Cécile V; Bergmeier, Wolfgang; Mayadas, Tanya N; von Andrian, Ulrich H; Wagner, Denisa D; Stossel, Thomas P; Hartwig, John H

2003-01-10

Platelet transfusion is a very common lifesaving medical procedure. Not widely known is the fact that platelets, unlike other blood cells, rapidly leave the circulation if refrigerated prior to transfusion. This peculiarity requires blood services to store platelets at room temperature, limiting platelet supplies for clinical needs. Here, we describe the mechanism of this clearance system, a longstanding mystery. Chilling platelets clusters their von Willebrand (vWf) receptors, eliciting recognition of mouse and human platelets by hepatic macrophage complement type 3 (CR3) receptors. CR3-expressing but not CR3-deficient mice exposed to cold rapidly decrease platelet counts. Cooling primes platelets for activation. We propose that platelets are thermosensors, primed at peripheral sites where most injuries occurred throughout evolution. Clearance prevents pathologic thrombosis by primed platelets. Chilled platelets bind vWf and function normally in vitro and ex vivo after transfusion into CR3-deficient mice. Therefore, GPIb modification might permit cold platelet storage.

Theoretical investigation of the gas-phase reactions of CrO(+) with ethylene.

PubMed

Scupp, Thomas M; Dudley, Timothy J

2010-01-21

The potential energy surfaces associated with the reactions of chromium oxide cation (CrO(+)) with ethylene have been characterized using density functional, coupled-cluster, and multireference methods. Our calculations show that the most probable reaction involves the formation of acetaldehyde and Cr(+) via a hydride transfer involving the metal center. Our calculations support previous experimental hypotheses that a four-membered ring intermediate plays an important role in the reactivity of the system. We have also characterized a number of viable reaction pathways that lead to other products, including ethylene oxide. Due to the experimental observation that CrO(+) can activate carbon-carbon bonds, a reaction pathway involving C-C bond cleavage has also been characterized. Since many of the reactions involve a change in the spin state in going from reactants to products, locations of these spin surface crossings are presented and discussed. The applicability of methods based on Hartree-Fock orbitals is also discussed.

Does Functional Connectivity Provide a Marker for Cognitive Rehabilitation Effects in Alzheimer's Disease? An Interventional Study.

PubMed

Ochmann, Sina; Dyrba, Martin; Grothe, Michel J; Kasper, Elisabeth; Webel, Steffi; Hauenstein, Karlheinz; Teipel, Stefan J

2017-01-01

Cognitive rehabilitation (CR) is a cognitive intervention for patients with Alzheimer's disease (AD) that aims to maintain everyday competences. The analysis of functional connectivity (FC) in resting-state functional MRI has been used to investigate the effects of cognitive interventions. We evaluated the effect of CR on the default mode network FC in a group of patients with mild AD, compared to an active control group. We performed a three-month interventional study including 16 patients with a diagnosis of AD. The intervention group (IG) consisted of eight patients, performing twelve sessions of CR. The active control group (CG) performed a standardized cognitive training. We used a seed region placed in the posterior cingulate cortex (PCC) for FC analysis, comparing scans acquired before and after the intervention. Effects were thresholded at a significance of p < 0.001 (uncorrected) and a minimal cluster size of 50 voxels. The interaction of group by time showed a higher increase of PCC connectivity in IG compared to CG in the bilateral cerebellar cortex. CG revealed widespread, smaller clusters of higher FC increase compared with IG. Across all participants, an increase in quality of life was associated with connectivity increase over time in the bilateral precuneus. CR showed an effect on the FC of the DMN in the IG. These effects need further study in larger samples to confirm if FC analysis may suit as a surrogate marker for the effect of cognitive interventions in AD.

The Development of Louis MACRO (Mother and Child Risk Observation) Forms: Assessing Parent-Infant-Child Risk in the Presence of Maternal Mental Illness.

ERIC Educational Resources Information Center

Louis, Andrea; And Others

1997-01-01

An Australian study of 110 mother-infant dyads and 85 mother-toddler dyads in which the mothers were mentally ill evaluated the effectiveness of the Mother and Child Risk Observation (MACRO). Results found that MACRO offers a convenient framework for assessing risk and interpreting the impact of maternal mental illness upon children. (Author/CR)

Study on text mining algorithm for ultrasound examination of chronic liver diseases based on spectral clustering

NASA Astrophysics Data System (ADS)

Chang, Bingguo; Chen, Xiaofei

2018-05-01

Ultrasonography is an important examination for the diagnosis of chronic liver disease. The doctor gives the liver indicators and suggests the patient's condition according to the description of ultrasound report. With the rapid increase in the amount of data of ultrasound report, the workload of professional physician to manually distinguish ultrasound results significantly increases. In this paper, we use the spectral clustering method to cluster analysis of the description of the ultrasound report, and automatically generate the ultrasonic diagnostic diagnosis by machine learning. 110 groups ultrasound examination report of chronic liver disease were selected as test samples in this experiment, and the results were validated by spectral clustering and compared with k-means clustering algorithm. The results show that the accuracy of spectral clustering is 92.73%, which is higher than that of k-means clustering algorithm, which provides a powerful ultrasound-assisted diagnosis for patients with chronic liver disease.

Comprehensive optimization process of paranasal sinus radiography.

PubMed

Saarakkala, S; Nironen, K; Hermunen, H; Aarnio, J; Heikkinen, J O

2009-04-01

The optimization of radiological examinations is important in order to reduce unnecessary patient radiation exposure. To perform a comprehensive optimization process for paranasal sinus radiography at Mikkeli Central Hospital, Finland. Patients with suspicion of acute sinusitis were imaged with a Kodak computed radiography (CR) system (n=20) and with a Philips digital radiography (DR) system (n=30) using focus-detector distances (FDDs) of 110 cm, 150 cm, or 200 cm. Patients' radiation exposure was determined in terms of entrance surface dose and dose-area product. Furthermore, an anatomical phantom was used for the estimation of point doses inside the head. Clinical image quality was evaluated by an experienced radiologist, and physical image quality was evaluated from the digital radiography phantom. Patient doses were significantly lower and image quality better with the DR system compared to the CR system. The differences in patient dose and physical image quality were small with varying FDD. Clinical image quality of the DR system was lowest with FDD of 200 cm. Further, imaging with FDD of 150 cm was technically easier for the technologist to perform than with FDD of 110 cm. After optimization, it was recommended that the DR system with FDD of 150 cm should always be used at Mikkeli Central Hospital. We recommend this kind of comprehensive approach in all optimization processes of radiological examinations.

Assessment of heavy metal pollution and human health risk in urban soils of steel industrial city (Anshan), Liaoning, Northeast China.

PubMed

Qing, Xiao; Yutong, Zong; Shenggao, Lu

2015-10-01

The purpose of this study was to determine the concentrations and health risk of heavy metals in urban soils from a steel industrial district in China. A total of 115 topsoil samples from Anshan city, Liaoning, Northeast China were collected and analyzed for Cr, Cd, Pb, Zn, Cu, and Ni. The geoaccumulation index (Igeo), pollution index (PI), and potential ecological risk index (PER) were calculated to assess the pollution level in soils. The hazard index (HI) and carcinogenic risk (RI) were used to assess human health risk of heavy metals. The average concentration of Cr, Cd, Pb, Zn, Cu, and Ni were 69.9, 0.86, 45.1, 213, 52.3, and 33.5mg/kg, respectively. The Igeo and PI values of heavy metals were in the descending order of Cd>Zn>Cu>Pb>Ni>Cr. Higher Igeo value for Cd in soil indicated that Cd pollution was moderate. Pollution index indicated that urban soils were moderate to highly polluted by Cd, Zn, Cu, and Pb. The spatial distribution maps of heavy metals revealed that steel industrial district was the contamination hotspots. Principal component analysis (PCA) and matrix cluster analysis classified heavy metals into two groups, indicating common industrial sources for Cu, Zn, Pb, and Cd. Matrix cluster analysis classified the sampling sites into four groups. Sampling sites within steel industrial district showed much higher concentrations of heavy metals compared to the rest of sampling sites, indicating significant contamination introduced by steel industry on soils. The health risk assessment indicated that non-carcinogenic values were below the threshold values. The hazard index (HI) for children and adult has a descending order of Cr>Pb>Cd>Cu>Ni>Zn. Carcinogenic risks due to Cr, Cd, and Ni in urban soils were within acceptable range for adult. Carcinogenic risk value of Cr for children is slightly higher than the threshold value, indicating that children are facing slight threat of Cr. These results provide basic information of heavy metal pollution control and environment management in steel industrial regions. Copyright © 2015 Elsevier Inc. All rights reserved.

New Wolf-Rayet stars in Galactic open clusters - Sher 1 and the giant H II region core Westerlund 2

NASA Technical Reports Server (NTRS)

Moffat, Anthony F. J.; Shara, Michael M.; Potter, Michael

1991-01-01

Two new Galactic Wolf-Rayet stars were found in open clusters: a WN4 star in the O9 cluster Sher 1 and a WN7 star in the O7 cluster Westerlund 2. This confirms a previous trend, namely that fainter, hotter WN stars tend to be older than brighter, cooler WN stars. This may be a consequence of evolution via extreme mass loss.

Characterization and growth analysis of two types of thin films formed on copper surfaces: An inorganic chromium containing film and an organic film formed via reduction of diazonium ions

NASA Astrophysics Data System (ADS)

Hurley, Belinda Louise

Surface enhanced Raman scattering was used to observe interactions of dilute CrVI solutions with silver and copper surfaces in situ. Using silver as a model surface, CrIII was observed at the near monolayer level, and the spectra were compared to those from CrIII oxyhydroxide species and CrIII/Cr VI mixed oxide. Similar experiments were conducted with copper surfaces and 785 nm excitation. Upon exposure of a copper surface to CrVI solution, the characteristic copper oxide Raman bands disappeared, and a Cr III band increased in intensity over a period of ˜20 hours. The intensity of the CrIII band on copper became self limiting after the formation of several CrIII monolayers, as supported by chronoamperometry experiments. This CrIII spectrum was stable after CrVI was removed from the solution provided the potential remained negative of -200 mV vs. Ag/AgCl. The results support the conclusion that CrVI is reductively adsorbed to copper at the near neutral pH and open circuit potentials expected for Cu/Al alloys in field applications. The CrIII film is stable and strongly inhibits oxygen reduction at the treated copper surface. Copper surfaces and polished Aluminum Alloy 2024 T3 substrates were derivatized at open circuit potential with arenediazonium salts in both aprotic and aqueous media. Raman spectroscopy confirmed the presence of a derivatized film on the substrates before and after exposure to boiling water and sonication in acetone. Preliminary experiments to test these films for corrosion inhibition proved unsuccessful. Aluminum and copper substrates were prepared and used for x-ray photoelectron spectroscopy (XPS) analysis of the derivatization results. In the copper experiments, one surface was native oxide copper, predominantly in the form of Cu2O, and one surface was predominantly Cu 0. Results of the XPS analysis indicate the presence of a Cu-O-C linkage and possibly a Cu-C covalent bond between the aryl ring and the copper substrate. XPS results also indicate the formation of multilayers on both types of copper surfaces with different percentages of azo coupling within the multilayers on the two surfaces. These easily prepared, covalently bonded organic films could be used for applications currently fulfilled with self-absorbed monolayers and Langmuir Blodgett films.

Open star clusters in the Milky Way. Comparison of photometric and trigonometric distance scales based on Gaia TGAS data

NASA Astrophysics Data System (ADS)

Kovaleva, Dana A.; Piskunov, Anatoly E.; Kharchenko, Nina V.; Röser, Siegfried; Schilbach, Elena; Scholz, Ralf-Dieter; Reffert, Sabine; Yen, Steffi X.

2017-10-01

Context. The global survey of star clusters in the Milky Way (MWSC) is a comprehensive list of 3061 objects that provides, among other parameters, distances to clusters based on isochrone fitting. The Tycho-Gaia Astrometric Solution (TGAS) catalogue, which is a part of Gaia data release 1 (Gaia DR1), delivers accurate trigonometric parallax measurements for more than 2 million stars, including those in star clusters. Aims: We compare the open cluster photometric distance scale with the measurements given by the trigonometric parallaxes from TGAS to evaluate the consistency between these values. Methods: The average parallaxes of probable cluster members available in TGAS provide the trigonometric distance scale of open clusters, while the photometric scale is given by the distances published in the MWSC. Sixty-four clusters are suited for comparison as they have more than 16 probable members with parallax measurements in TGAS. We computed the average parallaxes of the probable members and compared these to the photometric parallaxes derived within the MWSC. Results: We find a good agreement between the trigonometric TGAS-based and the photometric MWSC-based distance scales of open clusters, which for distances less than 2.3 kpc coincide at a level of about 0.1 mas with no dependence on the distance. If at all, there is a slight systematic offset along the Galactic equator between 30° and 160° galactic longitude.

Comparing the OpenMP, MPI, and Hybrid Programming Paradigm on an SMP Cluster

NASA Technical Reports Server (NTRS)

Jost, Gabriele; Jin, Hao-Qiang; anMey, Dieter; Hatay, Ferhat F.

2003-01-01

Clusters of SMP (Symmetric Multi-Processors) nodes provide support for a wide range of parallel programming paradigms. The shared address space within each node is suitable for OpenMP parallelization. Message passing can be employed within and across the nodes of a cluster. Multiple levels of parallelism can be achieved by combining message passing and OpenMP parallelization. Which programming paradigm is the best will depend on the nature of the given problem, the hardware components of the cluster, the network, and the available software. In this study we compare the performance of different implementations of the same CFD benchmark application, using the same numerical algorithm but employing different programming paradigms.

A Co16 cluster and a 1-D Mn chain complex supported by benzohydroxamic acid.

PubMed

Cao, Yanyuan; Chen, Yanmei; Li, Lei; Gao, Dandan; Liu, Wei; Hu, Hailiang; Li, Wu; Li, Yahong

2013-08-14

The syntheses, crystal structures and magnetic properties are described for a {Co16} cluster [Co(II)16O(OH)2(bha)12(PhCO2)4(Phen)2(MeOH)4]·2MeOH (1) and a 1-D Mn(II) chain complex [Mn(Hbha)2]n·(2MeOH)n (2) (H2bha = benzohydroxamic acid; Phen = 1,10-phenanthroline). The 1 : 1 : 0.5 reaction of Co(O2CMe)2·4H2O, H2bha and 1,10-phenanthroline in MeOH at 100 °C under autogenous pressure gave cluster 1. Complex 2 was obtained from the 1 : 1 reaction mixture of Mn(O2CMe)2·2H2O and H2bha in MeOH under solvothermal conditions. The {Co16} cluster can be thought as a face-centered cube with two wings. The H2bha ligands show hydroximic form in 1 and exhibit hydroxamic mode in 2. The hydroximate ligands in 1 display three distinct binding modes, one of which is novel. Variable-temperature solid-state dc magnetic susceptibility studies have been performed in the 2.0-300 K range for complexes 1 and 2. Antiferromagnetic M(II)···M(II) exchange interactions were found for both 1 and 2. This work also demonstrates that solvothermal method is a potential synthetic approach for the design and growth of high nuclearity clusters or chain complexes of the H2bha ligand.

Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods

NASA Astrophysics Data System (ADS)

Shen, Jun; Piecuch, Piotr

2012-06-01

After reviewing recent progress in the area of the development of coupled-cluster (CC) methods for quasi-degenerate electronic states that are characterized by stronger non-dynamical correlation effects, including new generations of single- and multi-reference approaches that can handle bond breaking and excited states dominated by many-electron transitions, and after discussing the key elements of the left-eigenstate completely renormalized (CR) CC and equation-of-motion (EOM) CC methods, and the underlying biorthogonal method of moments of CC (MMCC) equations [P. Piecuch, M. Włoch, J. Chem. Phys. 123 (2005) 224105; P. Piecuch, M. Włoch, J.R. Gour, A. Kinal, Chem. Phys. Lett. 418 (2006) 467; M. Włoch, M.D. Lodriguito, P. Piecuch, J.R. Gour, Mol. Phys. 104 (2006) 2149], it is argued that it is beneficial to merge the CR-CC/EOMCC and active-space CC/EOMCC [P. Piecuch, Mol. Phys. 108 (2010) 2987, and references therein] theories into a single formalism. In order to accomplish this goal, the biorthogonal MMCC theory, which provides compact many-body expansions for the differences between the full configuration interaction and CC or, in the case of excited states, EOMCC energies, obtained using conventional truncation schemes in the cluster operator T and excitation operator Rμ, is generalized, so that one can correct the CC/EOMCC energies obtained with arbitrary truncations in T and Rμ for the selected many-electron correlation effects of interest. The resulting moment expansions, defining the new, Flexible MMCC (Flex-MMCC) formalism, and the ensuing CC(P; Q) hierarchy, proposed in the present work, enable one to correct energies obtained in the active-space CC and EOMCC calculations, in which one selects higher many-body components of T and Rμ via active orbitals and which recover much of the relevant non-dynamical and some dynamical electron correlation effects in applications involving potential energy surfaces (PESs) along bond breaking coordinates, for the effects of higher-order, primarily dynamical, correlations missing in the active-space CC/EOMCC considerations. The Flex-MMCC corrections to the active-space CC/EOMCC energies are mathematically similar to the non-iterative energy corrections defining the existing left-eigenstate CR-CC and CR-EOMCC methods, such as CR-CC(2, 3) and CR-EOMCC(2, 3). The potential advantages of the Flex-MMCC and CC(P; Q) formalisms are illustrated by describing the initial implementation and numerical tests of the novel CC hybrid scheme, abbreviated as CC(t; 3), in which one corrects the results of the CC calculations with singles, doubles, and active-space triples, termed CCSDt, for the remaining effects due to connected triple excitations that are missing in the CCSDt considerations, but are present in the MMCC-based CR-CC(2, 3) approach. By examining bond breaking in the HF, F2, and F2+ molecules, it is demonstrated that the CC(t; 3) method improves the CCSDt and CR-CC(2, 3) results, providing PESs that agree with those obtained with the full CC theory with singles, doubles, and triples (CCSDT) to within small fractions of a millihartree, at the fraction of the computer costs of the CCSDT calculations. Different strategies for defining active-space triples within the CC(t; 3) scheme and the underlying CCSDt method are discussed. When limited to the ground-state problem, the CC(t; 3) approach can be regarded as an improved and rigorously derived extension of the recently proposed CCSD(T)-h method [J. Shen, E. Xu, Z. Kou, S. Li, J. Chem. Phys. 132 (2010) 114115], in which triples corrections of the CCSD(T) type are replaced by their more robust CR-CC(2, 3)-style analogs.

Yellow evolved stars in open clusters

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

Sowell, J.R.

1987-05-01

This paper describes a program in which Galactic cluster post-AGB candidates were first identified and then analyzed for cluster membership via radial velocities, monitored for possible photometric variations, examined for evidence of mass loss, and classified as completely as possible in terms of their basic stellar parameters. The intrinsically brightest supergiants are found in the youngest clusters. With increasing cluster age, the absolute luminosities attained by the supergiants decline. It appears that the evolutionary tracks of luminosity class II stars are more similar to those of class I than of class III. Only two superluminous giant star candidates are foundmore » in open clusters. 154 references.« less

A hierarchical clustering methodology for the estimation of toxicity.

PubMed

Martin, Todd M; Harten, Paul; Venkatapathy, Raghuraman; Das, Shashikala; Young, Douglas M

2008-01-01

ABSTRACT A quantitative structure-activity relationship (QSAR) methodology based on hierarchical clustering was developed to predict toxicological endpoints. This methodology utilizes Ward's method to divide a training set into a series of structurally similar clusters. The structural similarity is defined in terms of 2-D physicochemical descriptors (such as connectivity and E-state indices). A genetic algorithm-based technique is used to generate statistically valid QSAR models for each cluster (using the pool of descriptors described above). The toxicity for a given query compound is estimated using the weighted average of the predictions from the closest cluster from each step in the hierarchical clustering assuming that the compound is within the domain of applicability of the cluster. The hierarchical clustering methodology was tested using a Tetrahymena pyriformis acute toxicity data set containing 644 chemicals in the training set and with two prediction sets containing 339 and 110 chemicals. The results from the hierarchical clustering methodology were compared to the results from several different QSAR methodologies.

Ligand combination strategy for the preparation of novel low-dimensional and open-framework metal cluster materials

NASA Astrophysics Data System (ADS)

Anokhina, Ekaterina V.

Low-dimensional and open-framework materials containing transition metals have a wide range of applications in redox catalysis, solid-state batteries, and electronic and magnetic devices. This dissertation reports on research carried out with the goal to develop a strategy for the preparation of low-dimensional and open-framework materials using octahedral metal clusters as building blocks. Our approach takes its roots from crystal engineering principles where the desired framework topologies are achieved through building block design. The key idea of this work is to induce directional bonding preferences in the cluster units using a combination of ligands with a large difference in charge density. This investigation led to the preparation and characterization of a new family of niobium oxychloride cluster compounds with original structure types exhibiting 1ow-dimensional or open-framework character. Most of these materials have framework topologies unprecedented in compounds containing octahedral clusters. Comparative analysis of their structural features indicates that the novel cluster connectivity patterns in these systems are the result of complex interplay between the effects of anisotropic ligand arrangement in the cluster unit and optimization of ligand-counterion electrostatic interactions. The important role played by these factors sets niobium oxychloride systems apart from cluster compounds with one ligand type or statistical ligand distribution where the main structure-determining factor is the total number of ligands. These results provide a blueprint for expanding the ligand combination strategy to other transition metal cluster systems and for the future rational design of cluster-based materials.

Multicolor CCD Photometry of the Open Cluster IC361

DTIC Science & Technology

2010-01-01

journal Volume 19 Numbers 1/2 2010 Contents V. Straizys, A. Kazlauskas. Young stars in the Camelopardalis dust and molecular clouds. VI. YSOs...Vilnius + I system for 7250 stars down to 1= 19.6 mag has been obtained in the 20’ x 26’ field of the open cluster IC 361 in Camelopardalis . The catalog...1= 19.6 mag has been obtained in the 20’ x 26’ field of the open cluster IC 361 in Camelopardalis . The catalog of 1420 stars down to V ~ 18.5 mag

Continuous ultrasound-assisted extraction of hexavalent chromium from soil with or without on-line preconcentration prior to photometric monitoring.

PubMed

Luque-García, J L; Luque de Castro, M D

2002-08-01

A continuous ultrasound-assisted extractor was coupled to a photometric detector in order to obtain a fully automated approach for the determination of CrVI in soil. The use of a flow injection (FI) manifold as interface between the extractor and the photometric detector allowed the monitoring of CrVI after extraction in a continuous manner. The coloured complex formed between 1,5-diphenylcarbazide (DPC) and CrVI was used as recommended in EPA method 7196A because it is one of the most sensitive and selective reactions for CrVI determination. A preconcentration minicolumn packed with a strong anion-exchange resin was placed between the extractor and the detector, providing a more sensitive method. The linear dynamic ranges were 1-10 and 0.25-7.5 mg l-1 for the methods without (method A) and with preconcentration (method B), respectively. The limits of detection were 4.52 ng for method A and 1.23 ng for method B. Both methods were applied to a natural contaminated soil and the results obtained agreed well with those obtained by the reference EPA method 3060A. The influence of different amounts of CrIII in the samples was also studied and the results showed that the proposed methods did not disturb the original species distribution.

Fe(0)-Fe3O4 nanocomposites embedded polyvinyl alcohol/sodium alginate beads for chromium (VI) removal.

PubMed

Lv, Xiaoshu; Jiang, Guangming; Xue, Xiaoqin; Wu, Donglei; Sheng, Tiantian; Sun, Chen; Xu, Xinhua

2013-11-15

In this study, Fe(0)-Fe3O4 nanocomposites embedded polyvinyl alcohol (PVA)/sodium alginate (SA) beads were synthesized, which exhibited an excellent physical properties and catalytic reactivity, and a robust performance of post-separation (complete separation using a simple grille) and reusability (efficiency of 69.8% after four runs) in Cr(VI) removal. 5.0 wt% PVA with 1.5 wt% SA was the optimal proportion for beads molding, and the followed acidification and reduction treatments were critical to ensure high mechanical strength and high Cr(VI) removal ability of beads. Effects of Fe(0) and Fe3O4 mass fraction, initial pH and Cr(VI) concentration on final removal efficiency were also evaluated. Merely 0.075 wt% Fe(0) together with 0.30 wt% Fe3O4 was sufficient to deal with 20 mg L(-1) Cr(VI) solution. The efficiency decreased from 100 to 79.5% as initial Cr(VI) increased from 5 to 40 mg L(-1), while from 99.3 to 76.3% with increasing pH from 3.0 to 11.0. This work provides a practical and high-efficient method for heavy metal removal from water body, and simultaneously solves the problems in stabilization, separation and regeneration of Fe(0) nanoparticles. Copyright © 2013 Elsevier B.V. All rights reserved.

Effects of temperature on the irradiation responses of Al 0.1 CoCrFeNi high entropy alloy

DOE PAGES

Yang, Tengfei; Xia, Songqin; Guo, Wei; ...

2017-09-29

Structural damage and chemical segregation in Al 0.1CoCrFeNi high entropy alloy irradiated at elevated temperatures are studied using transmission electron microscopy (TEM) and atom probe tomography (APT). Irradiation-induced defects include dislocation loops, long dislocations and stacking-fault tetrahedra, but no voids can be observed. Furthermore, as irradiation temperature increases, defect density is decreased but defect size is increased, which is induced by increasing defect mobility. Finally, APT characterization reveals that ion irradiation at elevated temperatures can induce an enrichment of Ni and Co as well as a depletion of Fe and Cr at defect clusters, mainly including dislocation loops and longmore » dislocations.« less

Effects of temperature on the irradiation responses of Al 0.1 CoCrFeNi high entropy alloy

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

Yang, Tengfei; Xia, Songqin; Guo, Wei

Structural damage and chemical segregation in Al 0.1CoCrFeNi high entropy alloy irradiated at elevated temperatures are studied using transmission electron microscopy (TEM) and atom probe tomography (APT). Irradiation-induced defects include dislocation loops, long dislocations and stacking-fault tetrahedra, but no voids can be observed. Furthermore, as irradiation temperature increases, defect density is decreased but defect size is increased, which is induced by increasing defect mobility. Finally, APT characterization reveals that ion irradiation at elevated temperatures can induce an enrichment of Ni and Co as well as a depletion of Fe and Cr at defect clusters, mainly including dislocation loops and longmore » dislocations.« less

Performance comparison analysis library communication cluster system using merge sort

NASA Astrophysics Data System (ADS)

Wulandari, D. A. R.; Ramadhan, M. E.

2018-04-01

Begins by using a single processor, to increase the speed of computing time, the use of multi-processor was introduced. The second paradigm is known as parallel computing, example cluster. The cluster must have the communication potocol for processing, one of it is message passing Interface (MPI). MPI have many library, both of them OPENMPI and MPICH2. Performance of the cluster machine depend on suitable between performance characters of library communication and characters of the problem so this study aims to analyze the comparative performances libraries in handling parallel computing process. The case study in this research are MPICH2 and OpenMPI. This case research execute sorting’s problem to know the performance of cluster system. The sorting problem use mergesort method. The research method is by implementing OpenMPI and MPICH2 on a Linux-based cluster by using five computer virtual then analyze the performance of the system by different scenario tests and three parameters for to know the performance of MPICH2 and OpenMPI. These performances are execution time, speedup and efficiency. The results of this study showed that the addition of each data size makes OpenMPI and MPICH2 have an average speed-up and efficiency tend to increase but at a large data size decreases. increased data size doesn’t necessarily increased speed up and efficiency but only execution time example in 100000 data size. OpenMPI has a execution time greater than MPICH2 example in 1000 data size average execution time with MPICH2 is 0,009721 and OpenMPI is 0,003895 OpenMPI can customize communication needs.

A Survey of Open Clusters in the u'g'r'i'z' Filter System. 3. Results for the Cluster NGC 188

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

Fornal, Bartosz; Tucker, Douglas L.; Smith, J.Allyn

2006-11-01

The authors continue the series of papers describing the results of a photometric survey of open star clusters, primarily in the southern hemisphere, taken in the u'g'r'i'z' filter system. The entire observed sample covered more than 100 clusters, but here they present data only on NGC 188, which is one of the oldest open clusters known in the Milky Way. They fit the Padova theoretical isochrones to the data. Assuming a solar metallicity for NGC 188, they find a distance of 1700 {+-} 100 pc, an age of 7.5 {+-} 0.7 Gyr, and a reddening E(B-V) of 0.025 {+-} 0.005.more » This yields a distance modulus of 11.23 {+-} 0.14.« less

The effect of Be and Cr electrode deposition rate on the performance of MIS solar cells

NASA Astrophysics Data System (ADS)

Moharram, A. H.; Panayotatos, P.; Yeh, J. L.; Lalevic, B.

1985-07-01

An experimental study has been performed on MIS solar cells with Be, Cr and layered Cr-Be electrodes on single crystal Si, Wacker and Monsanto poly-Si substrates. Electrical characterization in the dark and under illumination was correlated to X-ray and Auger spectroscopy results. It was found that the electrode deposition rate directly affects the oxygen content of the electrodes for all metal-substrate configurations. This oxygen is believed to originate from the deposition ambient as well as from the SiO2 layer. In the case of cells with Cr and layered Cr-Be electrodes oxygen acts to reduce the electrode work function (thus increasing the open-circuit voltage) in direct proportion to the relative content of oxygen to chromium.

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

Martinez-Medina, L. A.; Pichardo, B.; Moreno, E.

We present a dynamical study of the effect of the bar and spiral arms on the simulated orbits of open clusters in the Galaxy. Specifically, this work is devoted to the puzzling presence of high-altitude open clusters in the Galaxy. For this purpose we employ a very detailed observationally motivated potential model for the Milky Way and a careful set of initial conditions representing the newly born open clusters in the thin disk. We find that the spiral arms are able to raise an important percentage of open clusters (about one-sixth of the total employed in our simulations, depending onmore » the structural parameters of the arms) above the Galactic plane to heights beyond 200 pc, producing a bulge-shaped structure toward the center of the Galaxy. Contrary to what was expected, the spiral arms produce a much greater vertical effect on the clusters than the bar, both in quantity and height; this is due to the sharper concentration of the mass on the spiral arms, when compared to the bar. When a bar and spiral arms are included, spiral arms are still capable of raising an important percentage of the simulated open clusters through chaotic diffusion (as tested from classification analysis of the resultant high-z orbits), but the bar seems to restrain them, diminishing the elevation above the plane by a factor of about two.« less

Optimization of the neutron yield in fusion plasmas produced by Coulomb explosions of deuterium clusters irradiated by a petawatt laser.

PubMed

Bang, W; Dyer, G; Quevedo, H J; Bernstein, A C; Gaul, E; Donovan, M; Ditmire, T

2013-02-01

The kinetic energy of hot (multi-keV) ions from the laser-driven Coulomb explosion of deuterium clusters and the resulting fusion yield in plasmas formed from these exploding clusters has been investigated under a variety of conditions using the Texas Petawatt laser. An optimum laser intensity was found for producing neutrons in these cluster fusion plasmas with corresponding average ion energies of 14 keV. The substantial volume (1-10 mm(3)) of the laser-cluster interaction produced by the petawatt peak power laser pulse led to a fusion yield of 1.6×10(7) neutrons in a single shot with a 120 J, 170 fs laser pulse. Possible effects of prepulses are discussed.

Determination of hexavalent chromium concentration in industrial waste incinerator stack gas by using a modified ion chromatography with post-column derivatization method.

PubMed

Miyake, Yuichi; Tokumura, Masahiro; Iwazaki, Yuta; Wang, Qi; Amagai, Takashi; Horii, Yuichi; Otsuka, Hideyuki; Tanikawa, Noboru; Kobayashi, Takeshi; Oguchi, Masahiro

2017-06-16

An ion chromatography with post-column derivatization with 1,5-diphenylcarbazide (IC-DPC) analytical method was modified to enable measurement of trace-level hexavalent chromium (Cr(VI)) in air. One of the difficulties in determining trace levels of Cr(VI) in air with conventional IC-DPC methods is co-elution of the solvent and ion peaks due to high concentrations of ionic compounds in the extract. However, by using gradient elution rather than isocratic elution we were able to fully resolve the Cr(VI) ion peak from the solvent peak without the need for diluting the extract, which would have reduced the minimum quantifiable level of the method. With this method, we were able to detect Cr(VI) in air at concentrations of 5.3ng/m 3 (assuming a sampling volume of 1m 3 and a final solution volume of 10mL). Recovery tests at three different concentrations of Cr(VI) (50, 250, 1000ng) were performed with or without fly ash; recovery rates at all the concentrations of Cr(VI), with or without fly ash, ranged from 68% to 110% (mean±relative standard deviation, 96%±11%), and there were no differences in recovery rates with respect to the presence or absence of fly ash. Finally, we used the developed method to determine the concentration of Cr(VI) in stack gases collected from eight industrial waste incinerators located in Japan. The concentration of Cr(VI) in the stack gases ranged from below the method quantification limit to 3100ng/m 3 . The highest concentrations of Cr(VI) detected in the stack gases were two to three orders of magnitude higher than that in ambient air in Japan. Copyright © 2017 Elsevier B.V. All rights reserved.

CCD photometry of Andromeda IV - Dwarf irregular galaxy or M31 open cluster?

NASA Technical Reports Server (NTRS)

Jones, Joseph H.

1993-01-01

CCD photometry of Andromeda IV was obtained during discretionary time in August of 1989 at the Canada-France-Hawaii Telescope on Mauna Kea and the data were reduced at CFHT during the summer of 1991. And IV has been catalogued both as a dwarf galaxy and as an open star cluster in M31. The color-magnitude diagrams presented indicate that this object has a young population of stars with a narrow age range, consistent with the characteristics of an open star cluster or stellar association. A radial velocity measurement taken from the literature and analyzed with respect to the rotation curve of M31 indicates this object resides in the disk of the Andromeda Galaxy, strengthening the conclusion that it is indeed a very large open star cluster or a densely populated stellar association rather than a dwarf irregular galaxy.

Development of an open metadata schema for prospective clinical research (openPCR) in China.

PubMed

Xu, W; Guan, Z; Sun, J; Wang, Z; Geng, Y

2014-01-01

In China, deployment of electronic data capture (EDC) and clinical data management system (CDMS) for clinical research (CR) is in its very early stage, and about 90% of clinical studies collected and submitted clinical data manually. This work aims to build an open metadata schema for Prospective Clinical Research (openPCR) in China based on openEHR archetypes, in order to help Chinese researchers easily create specific data entry templates for registration, study design and clinical data collection. Singapore Framework for Dublin Core Application Profiles (DCAP) is used to develop openPCR and four steps such as defining the core functional requirements and deducing the core metadata items, developing archetype models, defining metadata terms and creating archetype records, and finally developing implementation syntax are followed. The core functional requirements are divided into three categories: requirements for research registration, requirements for trial design, and requirements for case report form (CRF). 74 metadata items are identified and their Chinese authority names are created. The minimum metadata set of openPCR includes 3 documents, 6 sections, 26 top level data groups, 32 lower data groups and 74 data elements. The top level container in openPCR is composed of public document, internal document and clinical document archetypes. A hierarchical structure of openPCR is established according to Data Structure of Electronic Health Record Architecture and Data Standard of China (Chinese EHR Standard). Metadata attributes are grouped into six parts: identification, definition, representation, relation, usage guides, and administration. OpenPCR is an open metadata schema based on research registration standards, standards of the Clinical Data Interchange Standards Consortium (CDISC) and Chinese healthcare related standards, and is to be publicly available throughout China. It considers future integration of EHR and CR by adopting data structure and data terms in Chinese EHR Standard. Archetypes in openPCR are modularity models and can be separated, recombined, and reused. The authors recommend that the method to develop openPCR can be referenced by other countries when designing metadata schema of clinical research. In the next steps, openPCR should be used in a number of CR projects to test its applicability and to continuously improve its coverage. Besides, metadata schema for research protocol can be developed to structurize and standardize protocol, and syntactical interoperability of openPCR with other related standards can be considered.

Map-based trigonometric parallaxes of open clusters: Coma

NASA Technical Reports Server (NTRS)

Gatewood, George

1995-01-01

This is the fourth study in a series to determine the direct trigonometric parallaxes of four of the nearest open star clusters, the Hyades, the Pleiades, the Praesepe, and the nearby cluster in Coma (Gatewood et al. 1990; Gatewood et al. 1992); Gatewood & Kiewiet de Jonge 1994). The results for the open star cluster in Coma are compared with those of the other three clusters, and the members are found to be significantly subluminous. The trigonometric parallax of the cluster is estimated from that of three members studied with the Multichannel Astrometric Photometer (MAP) at the Thaw Refractor of the University of Pittsburgh's Allegheny Observatory. The weighted mean parallax of the cluster is +13.53 +/- 0.54 mass (0.00054 min), corresponding to a distance modulus of 4.34 +/- 0.09 mag. The U-B excess of the Coma cluster members may be used to adjust the observed absolute magnitudes and the B-V measurements as suggested by Sandage & Eggen (1959). The agreement obtained in this manner suggests that, like subdwarf stars, the stars of the Coma cluster appear subluminous because of line blanketing. One of the three members observed in this study was recognized as a member by its parallax and is the faintest known member of the cluster.

Map-based trigonometric parallaxes of open clusters: Coma

NASA Astrophysics Data System (ADS)

Gatewood, George

1995-06-01

This is the fourth study in a series to determine the direct trigonometric parallaxes of four of the nearest open star clusters, the Hyades, the Pleiades, the Praesepe, and the nearby cluster in Coma (Gatewood et al. 1990; Gatewood et al. 1992); Gatewood & Kiewiet de Jonge 1994). The results for the open star cluster in Coma are compared with those of the other three clusters, and the members are found to be significantly subluminous. The trigonometric parallax of the cluster is estimated from that of three members studied with the Multichannel Astrometric Photometer (MAP) at the Thaw Refractor of the University of Pittsburgh's Allegheny Observatory. The weighted mean parallax of the cluster is +13.53 +/- 0.54 mass (0.00054 min), corresponding to a distance modulus of 4.34 +/- 0.09 mag. The U-B excess of the Coma cluster members may be used to adjust the observed absolute magnitudes and the B-V measurements as suggested by Sandage & Eggen (1959). The agreement obtained in this manner suggests that, like subdwarf stars, the stars of the Coma cluster appear subluminous because of line blanketing. One of the three members observed in this study was recognized as a member by its parallax and is the faintest known member of the cluster.

Minor and Trace Element Chemistry of Urban NS-Soot from the Central Valley of CA, USA

NASA Astrophysics Data System (ADS)

Kleich, S. J.; Hooper, R.

2017-12-01

During a recent study of metal transport in the Central Valley of California, it was noted that ns-soot (soot) occurred as complex clusters of graphene-like spheres admixed with other aerosols and were usually the dominant component of PM2.5 air particulates. These soot clusters contained a wide variety of metals of environmental concern such as As,Pb,Cr, and Ni. This study reports semi-quantitative results for 20 minor and trace elements (calibrated with Smithsonian microbeam standards) using a 200kV Transmission Electron Microscope, EDS, and SAED. This study also examined the mineralogy and crystallinity of admixed aerosols within composite soot clusters. Samples selected represent three contrasting urban settings in the Central Valley: Woodland, on the western side of the valley (Interstate highway to the east); Stockton, an inland sea-port and land transportation corridor in the center of the valley; and Roseville, a major rail-transport hub to the east. The wet/dry Mediterranean climate of California resulted in pronounced seasonal variations in total metal content. Soot cluster chemistry is highly variable however certain patterns emerged. Soot collected during the wet season is generally more aciniform, less structurally complex, and had lower sulfur (sulfate) concentrations but still had significant levels of transition metals (V,Cr,Mn,Fe,Ni,Zn and Pb) . Dry season soot was predominantly admixed with sulfate aerosols, and enriched in alkalis and alkaline earth metals. Stockton (wet-season) soot had up to 6000ppm of Pb. There is appreciable Pb (210ppm-2600ppm) in 38% of samples from Roseville but no Pb greater than 200ppm in Woodland. The highest overall total metals were found in Roseville soot with appreciable As(670ppm), V(100ppm), Pb(2600ppm), Zn(4000 ppm), Cr(90ppm), and Ni(300ppm). Heavy transport (road/rail/port) correlates with higher metal contents regardless of climate.

Genome improvement of the acarbose producer Actinoplanes sp. SE50/110 and annotation refinement based on RNA-seq analysis.

PubMed

Wolf, Timo; Schneiker-Bekel, Susanne; Neshat, Armin; Ortseifen, Vera; Wibberg, Daniel; Zemke, Till; Pühler, Alfred; Kalinowski, Jörn

2017-06-10

Actinoplanes sp. SE50/110 is the natural producer of acarbose, which is used in the treatment of diabetes mellitus type II. However, until now the transcriptional organization and regulation of the acarbose biosynthesis are only understood rudimentarily. The genome sequence of Actinoplanes sp. SE50/110 was known before, but was resequenced in this study to remove assembly artifacts and incorrect base callings. The annotation of the genome was refined in a multi-step approach, including modern bioinformatic pipelines, transcriptome and proteome data. A whole transcriptome RNA-seq library as well as an RNA-seq library enriched for primary 5'-ends were used for the detection of transcription start sites, to correct tRNA predictions, to identify novel transcripts like small RNAs and to improve the annotation through the correction of falsely annotated translation start sites. The transcriptome data sets were also applied to identify 31 cis-regulatory RNA structures, such as riboswitches or RNA thermometers as well as three leaderless transcribed short peptides found in putative attenuators upstream of genes for amino acid biosynthesis. The transcriptional organization of the acarbose biosynthetic gene cluster was elucidated in detail and fourteen novel biosynthetic gene clusters were suggested. The accurate genome sequence and precise annotation of the Actinoplanes sp. SE50/110 genome will be the foundation for future genetic engineering and systems biology studies. Copyright © 2017 Elsevier B.V. All rights reserved.

Cold ischemia contributes to the development of chronic rejection and mitochondrial injury after cardiac transplantation.

PubMed

Schneeberger, Stefan; Amberger, Albert; Mandl, Julia; Hautz, Theresa; Renz, Oliver; Obrist, Peter; Meusburger, Hugo; Brandacher, Gerald; Mark, Walter; Strobl, Daniela; Troppmair, Jakob; Pratschke, Johann; Margreiter, Raimund; Kuznetsov, Andrey V

2010-12-01

Chronic rejection (CR) remains an unsolved hurdle for long-term heart transplant survival. The effect of cold ischemia (CI) on progression of CR and the mechanisms resulting in functional deficit were investigated by studying gene expression, mitochondrial function, and enzymatic activity. Allogeneic (Lew→F344) and syngeneic (Lew→Lew) heart transplantations were performed with or without 10 h of CI. After evaluation of myocardial contraction, hearts were excised at 2, 10, 40, and 60 days for investigation of vasculopathy, gene expression, enzymatic activities, and mitochondrial respiration. Gene expression studies identified a gene cluster coding for subunits of the mitochondrial electron transport chain regulated in response to CI and CR. Myocardial performance, mitochondrial function, and mitochondrial marker enzyme activities declined in all allografts with time after transplantation. These declines were more rapid and severe in CI allografts (CR-CI) and correlated well with progression of vasculopathy and fibrosis. Mitochondria related gene expression and mitochondrial function are substantially compromised with the progression of CR and show that CI impacts on progression, gene profile, and mitochondrial function of CR. Monitoring mitochondrial function and enzyme activity might allow for earlier detection of CR and cardiac allograft dysfunction. © 2010 The Authors. Journal compilation © 2010 European Society for Organ Transplantation.

The open cluster IC 4665

NASA Technical Reports Server (NTRS)

Prosser, Charles F.

1993-01-01

The results of a combined astrometric, photometric, and spectroscopic program to identify members of the open cluster IC 4665 are presented. Numerous new proper motion/photometric candidate members and at least 23 M dwarfs with H-alpha emission have been identified. A reanalysis of IC 4665 age using different methods yields conflicting results ranging from about 3 X 10 exp 7 yr to the age of the Pleiades. This study provides a list of candidate cluster members in the intermediate and low-mass regime of this cluster. Future spectroscopic observations of these candidates should eventually identify true cluster members.

Crisis resolution: consumer, family and referrer perspectives on care.

PubMed

Carter, Frances A; Taylor, M Joan; Weston, Madeline J; Quigley, Teresa A; Beveridge, John H; Green, Robert Aj; Duffy, Steve

2018-06-08

To systematically assess the service satisfaction of consumers, their families and referrers with crisis resolution (CR). Consecutive consumers discharged after receiving CR over a five-week period were potentially eligible for participation, together with their family and referrer (broadly defined). Structured telephone interviews were conducted and involved forced-choice questions assessing global satisfaction and satisfaction with specific aspects of care, plus two open-ended questions. Participants were 75 consumers, 22 family and 16 referrers. High levels of satisfaction were seen for all participants for both global (86-96%) and most specific aspects of care (>75%). If consumers were dissatisfied with their overall care, they were significantly more likely to be aged 25-34 years of age. High levels of agreement among raters were found for global satisfaction (>85%) and most specific aspects of care (>70%), which provides some level of reassurance for staff. Open-ended questions showed that having effective treatment of sufficient duration and staff manner were most important to participants. High levels of satisfaction and agreement were found among consumers, family and referrers with CR. Open-ended questions identified which issues matter the most to key stakeholders, which may have implications for service evaluation tools.

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

Crijns, W; Vandenbroucke, D; Leblans, P

Purpose: Computed Radiography (CR) dosimetry could offer film dosimetry resolution and flexibility but with reusability and instantaneous processing. For an experimental CR-plate, designed for radiotherapy (Zeff=18), CR’s typical out-of-field over-response to low energy photons was previously reduced to 8%. The present work assesses the impact of the residual over-response when open-fields are combined or when intensity modulated fields are used. Methods: Agfa Healthcare’s experimental CRplate was scanned and erased 4min after each irradiation using a flying-spot CR-15-X-engine based reader, which was adapted for radiotherapy dosimetry. A CR-plate specific calibration and uniformity correction was used.For open-fields two abutting half beams (5×10cm{supmore » 2}) captured out-offield and in-field doses in a single image. Additionally, both half beams were measured individually as well as a 3×18Gy open-field SBRT-lung treatment. For intensity modulated fields standard test patterns (Chair and Pyramid) and a clinical 5×5Gy rectal VMAT plan were captured. All measurements were compared to the corresponding dose calculations. Results: For open-fields the out-of-field overdose was clearly larger than the in-field overdose (10% vs. 4%). The sum of the individual measurements corresponded well with the combined measurement (dose difference, ΔD<−2.2%). The SBRT case had no overdose in the high dose region; ΔD=−5.6%±3.3%, the deviation was attributed to CR-fading effects (−0.3%/min) which were not corrected for.Compared to open-fields, intensity modulated deliveries had a further increased over-response out-offield (ΔD=+58% to +125% [Chair] +43% [Pyramid]), due to the increased amount of low energy photons for IMRT. However, this effect was not measured in-field where even decreased dose signals were observed (ΔD=−0.3% to +2.25% [Chair], −4.5% to −0.1% [Pyramid]). The rectal VMAT treatment had a dose difference +2.4%±6.0%. The in-field deviations were attributed to a residual non-uniformity. Conclusion: The experimental CRplate’s out-of-field over-response does not propagate in in-field overresponse errors when static or dynamic (IMRT/VMAT) abutting fields are used.« less

A ruler protein in a complex for antiviral defense determines the length of small interfering CRISPR RNAs.

PubMed

Hatoum-Aslan, Asma; Samai, Poulami; Maniv, Inbal; Jiang, Wenyan; Marraffini, Luciano A

2013-09-27

Small RNAs undergo maturation events that precisely determine the length and structure required for their function. CRISPRs (clustered regularly interspaced short palindromic repeats) encode small RNAs (crRNAs) that together with CRISPR-associated (cas) genes constitute a sequence-specific prokaryotic immune system for anti-viral and anti-plasmid defense. crRNAs are subject to multiple processing events during their biogenesis, and little is known about the mechanism of the final maturation step. We show that in the Staphylococcus epidermidis type III CRISPR-Cas system, mature crRNAs are measured in a Cas10·Csm ribonucleoprotein complex to yield discrete lengths that differ by 6-nucleotide increments. We looked for mutants that impact this crRNA size pattern and found that an alanine substitution of a conserved aspartate residue of Csm3 eliminates the 6-nucleotide increments in the length of crRNAs. In vitro, recombinant Csm3 binds RNA molecules at multiple sites, producing gel-shift patterns that suggest that each protein binds 6 nucleotides of substrate. In vivo, changes in the levels of Csm3 modulate the crRNA size distribution without disrupting the 6-nucleotide periodicity. Our data support a model in which multiple Csm3 molecules within the Cas10·Csm complex bind the crRNA with a 6-nucleotide periodicity to function as a ruler that measures the extent of crRNA maturation.

Open clusters. III. Fundamental parameters of B stars in NGC 6087, NGC 6250, NGC 6383, and NGC 6530 B-type stars with circumstellar envelopes

NASA Astrophysics Data System (ADS)

Aidelman, Y.; Cidale, L. S.; Zorec, J.; Panei, J. A.

2018-02-01

Context. Stellar physical properties of star clusters are poorly known and the cluster parameters are often very uncertain. Methods: Our goals are to perform a spectrophotometric study of the B star population in open clusters to derive accurate stellar parameters, search for the presence of circumstellar envelopes, and discuss the characteristics of these stars. The BCD spectrophotometric system is a powerful method to obtain stellar fundamental parameters from direct measurements of the Balmer discontinuity. To this end, we wrote the interactive code MIDE3700. The BCD parameters can also be used to infer the main properties of open clusters: distance modulus, color excess, and age. Furthermore, we inspected the Balmer discontinuity to provide evidence for the presence of circumstellar disks and identify Be star candidates. We used an additional set of high-resolution spectra in the Hα region to confirm the Be nature of these stars. Results: We provide Teff, log g, Mv, Mbol, and spectral types for a sample of 68 stars in the field of the open clusters NGC 6087, NGC 6250, NGC 6383, and NGC 6530, as well as the cluster distances, ages, and reddening. Then, based on a sample of 230 B stars in the direction of the 11 open clusters studied along this series of three papers, we report 6 new Be stars, 4 blue straggler candidates, and 15 B-type stars (called Bdd) with a double Balmer discontinuity, which indicates the presence of circumstellar envelopes. We discuss the distribution of the fraction of B, Be, and Bdd star cluster members per spectral subtype. The majority of the Be stars are dwarfs and present a maximum at the spectral type B2-B4 in young and intermediate-age open clusters (<40 Myr). Another maximum of Be stars is observed at the spectral type B6-B8 in open clusters older than 40 Myr, where the population of Bdd stars also becomes relevant. The Bdd stars seem to be in a passive emission phase. Conclusions: Our results support previous statements that the Be phenomenon is present along the whole main sequence band and occurs in very different evolutionary states. We find clear evidence of an increase of stars with circumstellar envelopes with cluster age. The Be phenomenon reaches its maximum in clusters of intermediate age (10-40 Myr) and the number of B stars with circumstellar envelopes (Be plus Bdd stars) is also high for the older clusters (40-100 Myr). Observations taken at CASLEO, operating under agreement of CONICET and the Universities of La Plata, Córdoba, and San Juan, Argentina.Tables 1, 2, 9-16 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/610/A30

NEAMS-ATF M3 Milestone Report: Literature Review of Modeling of Radiation-Induced Swelling in Fe-Cr-Al Steels

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

Bai, Xianming; Biner, Suleyman Bulent; Jiang, Chao

2015-12-01

Fe-Cr-Al steels are proposed as accident-tolerant-fuel (ATF) cladding materials in light water reactors due to their excellent oxidation resistance at high temperatures. Currently, the understanding of their performance in reactor environment is still limited. In this review, firstly we reviewed the experimental studies of Fe-Cr-Al based alloys with particular focus on the radiation effects in these alloys. Although limited data are available in literature, several previous and recent experimental studies have shown that Fe-Cr-Al based alloys have very good void swelling resistance at low and moderate irradiation doses but the growth of dislocation loops is very active. Overall, the behaviormore » of radiation damage evolution is similar to that in Fe-Cr ferritic/martensitic alloys. Secondly, we reviewed the rate theory-based modeling methods for modeling the coevolution of voids and dislocation loops in materials under irradiation such as Frenkel pair three-dimensional diffusion model (FP3DM) and cluster dynamics. Finally, we summarized and discussed our review and proposed our future plans for modeling radiation damage in Fe-Cr-Al based alloys.« less

Accumulation of radioactive corrosion products on steel surfaces of VVER-type nuclear reactors. II. 60Co

NASA Astrophysics Data System (ADS)

Varga, Kálmán; Hirschberg, Gábor; Németh, Zoltán; Myburg, Gerrit; Schunk, János; Tilky, Péter

2001-10-01

In the case of intact fuel claddings, the predominant source of radioactivity in the primary circuits of water-cooled nuclear reactors is the activation of corrosion products in the core. The most important corrosion product radionuclides in the primary coolant of pressurized water reactors (PWRs) are 60Co, 58Co, 51Cr, 54Mn, 59Fe (as well as 110mAg in some Soviet-made VVER-type reactor). The second part of this series is focused on the complex studies of the formation and build-up of 60Co-containing species on an austenitic stainless steel type 08X18H10T (GOST 5632-61) and magnetite-covered carbon steel often to be used in Soviet-planned VVERs. The kinetics and mechanism of the cobalt accumulation were studied by a combination (coupling) of an in situ radiotracer method and voltammetry in a model solution of the primary circuit coolant. In addition, independent techniques such as X-ray photoelectron spectroscopic (XPS) and ICP-OES are also used to analyze the chemical state of Co species in the passive layer formed on stainless steel as well as the chemical composition of model solution. The experimental results have revealed that: (i) The passive behavior of the austenitic stainless steel at open-circuit conditions, the slightly alkaline pH and the reducing water chemistry can be considered to be optimal to minimize the 60Co contamination. (ii) The highly potential dependent deposition of various Co-oxides at E>1.10 V (vs. RHE) offers a unique possibility to elaborate a novel electrochemical method for the decrease or removal of cobalt traces from borate-containing coolants contaminated with 60Co and/or 58Co radionuclides.

First-principles study on stability, and growth strategies of small AlnZr (n=1-9) clusters

NASA Astrophysics Data System (ADS)

Li, Zhi; Zhou, Zhonghao; Wang, Hongbin; Li, Shengli; Zhao, Zhen

2016-09-01

The geometries, relative stability as well as growth strategies of the AlnZr (n=1-9) clusters are investigated with spin polarized density functional theory: BLYP. The results reveal that the AlnZr clusters are more likely to form the dense accumulation structures than the AlN (N=1-10) clusters. The average binding energies of AlnZr are higher than those of AlN clusters. The AlnZr (n=3, 5, and 7) clusters are more stable than others by the differences of the total binding energies. Mülliken population analysis for the AlnZr clusters shows that the electron's adsorption ability of Zr is slightly lower than that of Al except for AlZr cluster. Local peaks of the HOMO-LUMO gap curve are found at n=3, 5, and 7. The reaction energies of AlnZr are higher, which means that AlnZr clusters are easier to react with Al clusters. Zr atom preferential reacts with Al2 cluster. Local peaks of the magnetic dipole moments are found at n=2, 5, and 8.

Effects of environmental enrichment on the activity of the amygdala in micrencephalic rats exposed to a novel open field.

PubMed

Matsuda, Wakoto; Ehara, Ayuka; Nakadate, Kazuhiko; Yoshimoto, Kanji; Ueda, Shuichi

2018-01-01

Environmental enrichment (EE) mediates recovery from sensory, motor, and cognitive deficits and emotional abnormalities. In the present study, we examined the effects of EE on locomotor activity and neuronal activity in the amygdala in control and methylazoxymethanol acetate (MAM)-induced micrencephalic rats after challenge in a novel open field. Control rats housed in EE (CR) showed reduced locomotor activity compared to rats housed in a conventional cage (CC), whereas hyperactivity was seen in MAM rats housed in a conventional cage (MC) and in MAM rats housed in EE (MR). Novel open field exposure in both CC and MC resulted in a marked increase in Fos expression in the anterior and posterior parts of the basolateral amygdaloid nucleus, basomedial nucleus, and medial nucleus, whereas these increases in expression were not observed in CR. The effect of EE on Fos expression in the amygdala was different in MR exposed to a novel open field compared to CR. Furthermore, we observed a quite different pattern of Fos expression in the central nucleus of the amygdala between control and MAM rats. The present results suggest that neuronal activity in the amygdala that responds to anxiety is altered in MAM rats, especially when the rats are reared in EE. These alterations may cause behavioral differences between control and MAM rats. © 2017 Japanese Teratology Society.

Structural, thermal and photomagnetic properties of spin crossover [Fe(bpp)2]2+ salts bearing [Cr(L)(ox)2]- anions.

PubMed

Clemente-León, Miguel; Coronado, Eugenio; Giménez-López, M Carmen; Romero, Francisco M; Asthana, Saket; Desplanches, Cédric; Létard, Jean-François

2009-10-14

This paper is divided into two parts: in the first part, the influence of solvate molecules on the magnetic properties of spin crossover salts of [Fe(bpp)(2)][Cr(L)(ox)(2)]ClO(4) x nS (bpp = 2,6-bis(pyrazol-3yl)pyridine; L = 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen); ox = oxalate dianion; S = solvent) is analyzed. The second part is devoted to the photomagnetic properties of the previously reported [Fe(bpp)(2)][Cr(L)(ox)(2)](2) family of compounds. The study describes the crystal structure, differential scanning calorimetry (DSC) and magnetic properties of [Fe(bpp)(2)][Cr(bpy)(ox)(2)]ClO(4) x EtOH x 4 H(2)O (1) and [Fe(bpp)(2)][Cr(phen)(ox)(2)]ClO(4) x 1.5 EtOH x 4 H(2)O (2). Both salts are high-spin (HS) compounds. Desolvation of 1 yields a material exhibiting a gradual spin crossover that involves 50% of the Fe(2+) cations. Rehydration of this desolvated salt induces a significant increase in the low-spin (LS) population. Desolvation of 2 affords a material showing a more abrupt spin crossover with thermal hysteresis (T(1/2)(increasing) = 286 K and T(1/2)(decreasing) = 273 K). This material is not very sensitive to rehydration. The anhydrous compounds [Fe(bpp)(2)][Cr(bpy)(ox)(2)](2) (3) and [Fe(bpp)(2)][Cr(phen)(ox)(2)](2) (4) display some quantitative photomagnetic conversion with T(LIESST) values of 41 and 51 K, respectively. Kinetic parameters governing the photo-induced HS-LS relaxation process have been determined and used to reproduce the T(LIESST) curves.

Capabilities to improve corrosion resistance of fuel claddings by using powerful laser and plasma sources

NASA Astrophysics Data System (ADS)

Borisov, V. M.; Trofimov, V. N.; Sapozhkov, A. Yu.; Kuzmenko, V. A.; Mikhaylov, V. B.; Cherkovets, V. Ye.; Yakushkin, A. A.; Yakushin, V. L.; Dzhumayev, P. S.

2016-12-01

The treatment conditions of fuel claddings of the E110 alloy by using powerful UV or IR laser radiation, which lead to the increase in the corrosion resistance at the high-temperature ( T = 1100°C) oxidation simulating a loss-of-coolant accident, are determined. The possibility of the complete suppression of corrosion under these conditions by using pulsed laser deposition of a Cr layer is demonstrated. The behavior of protective coatings of Al, Al2O3, and Cr planted on steel EP823 by pulsed laser deposition, which is planned to be used in the BREST-OD-300, is studied. The methods of the almost complete suppression of corrosion in liquid lead to the temperature of 720°C are shown.

Microstructural examination of V-(3-6%)Cr-(3-5%)Ti irradiated in the ATR-A1 experiment

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

Gelles, D.S.

Microstructural examination results are reported for four heats of V-(3-6%)Cr-(3-5%)Ti irradiated in the ATR-A1 experiment to {approximately}4 dpa at {approximately}200 and 300 C to provide an understanding of the microstructural evolution that may be associated with degradation of mechanical properties. Fine precipitates were observed in high density intermixed with small defect clusters for all conditions examined following the irradiation. The irradiation-induced precipitation does not appear to be affected by preirradiation heat treatment or composition.

Sorption of Cr(III) and Cr(VI) to High and Low Pressure Synthetic Nano-Magnetite (Fe3O4)Particles

PubMed Central

Parsons, Jason G.; Hernandez, Jeffrey; Gonzalez, Christina M.; Gardea-Torresdey, J. L.

2014-01-01

The binding of Cr(III) and Cr(VI) to synthetic nano-magnetie particles synthesized under open vessel conditions and a microwave assisted hydrothermal synthesis techniques was investigated. Batch studies showed that the binding of both the Cr(III) and Cr(VI) bound to the nano-materials in a pH dependent manner. The Cr(III) maximized at binding at pH 4 and 100% binding. Similarly, the Cr(VI) ions showed a maximum binding of 100% at pH 4. The data from the time dependency studies showed for the most part the majority of the binding occurred within the first 5 minutes of contact with the nanomaterial and remained constant thereafter. In addition, the effects of the possible interferences were investigated which showed some effects on the binding of both Cr(III) and Cr(VI). However, the interferences never completely eliminated the chromium binding. Isotherm studies conducted at room temperature showed the microwave synthesized nanomaterials had a binding capacity of 1208 ± 43.9 mg/g and 555 ± 10.5 mg/g for Cr(VI) and Cr(III), respectively. However, the microwave assisted synthesized nanomaterials had capacities of 1705 ± 14.5 and 555± 10.5 mg/g for Cr(VI) and Cr(III), respectively. XANES studies showed the Cr(VI) was reduced to Cr(III), and the Cr(III) remained as Cr(III). In addition, the XANES studies indicated that the chromium remained coordinated in an octahedral arrangement of oxygen atoms. PMID:25097452

Comparative proteome analysis of Actinoplanes sp. SE50/110 grown with maltose or glucose shows minor differences for acarbose biosynthesis proteins but major differences for saccharide transporters.

PubMed

Wendler, Sergej; Otto, Andreas; Ortseifen, Vera; Bonn, Florian; Neshat, Armin; Schneiker-Bekel, Susanne; Wolf, Timo; Zemke, Till; Wehmeier, Udo F; Hecker, Michael; Kalinowski, Jörn; Becher, Dörte; Pühler, Alfred

2016-01-10

Actinoplanes sp. SE50/110 is known for the production of the α-glucosidase inhibitor and anti-diabetic drug acarbose. Acarbose (acarviosyl-maltose) is produced as the major product when the bacterium is grown in medium with maltose, while acarviosyl-glucose is the major product when glucose is the sole carbon source in the medium. In this study, a state-of-the-art proteomics approach was applied combining subcellular fractionation, in vivo metabolic labeling and shotgun mass spectrometry to analyze differences in the proteome of Actinoplanes sp. SE50/110 cultures grown in minimal medium containing either maltose or glucose as the sole carbon source. To study proteins in distinct subcellular locations, a cytosolic, an enriched membrane, a membrane shaving and an extracellular fraction were included in the analysis. Altogether, quantitative proteome data was obtained for 2497 proteins representing about 30% of the ca. 8270 predicted proteins of Actinoplanes sp. SE50/110. When comparing protein quantities of maltose- to glucose-grown cultures, differences were observed for saccharide transport and metabolism proteins, whereas differences for acarbose biosynthesis gene cluster proteins were almost absent. The maltose-inducible α-glucosidase/maltase MalL as well as the ABC-type saccharide transporters AglEFG, MalEFG and MstEAF had significantly higher quantities in the maltose growth condition. The only highly abundant saccharide transporter in the glucose condition was the monosaccharide transporter MstEAF, which may indicate that MstEAF is the major glucose importer. Taken all findings together, the previously observed formation of acarviosyl-maltose and acarviosyl-glucose is more closely connected to the transport of saccharides than to a differential expression of the acarbose gene cluster. Diabetes is a global pandemic accounting for about 11% of the worldwide healthcare expenditures (>600 billion US dollars) and is projected to affect 592 million people by 2035 (www.idf.org). Whether Actinoplanes sp. SE50/110 produces type 2 diabetes drug acarbose (acarviosyl-maltose) or another acarviose metabolite such as acarviosyl-glucose as the major product depends on the offered carbon source. The differences observed in this proteome in this study suggest that the differences in the formation of acarviosyl-maltose and acarviosyl-glucose are more closely connected to the transport of saccharides than to a differential expression of the acarbose gene cluster. In addition, the present study provides a comprehensive overview of the proteome of Actinoplanes sp. SE50/110. Copyright © 2015 Elsevier B.V. All rights reserved.

Cluster-cluster clustering

NASA Technical Reports Server (NTRS)

Barnes, J.; Dekel, A.; Efstathiou, G.; Frenk, C. S.

1985-01-01

The cluster correlation function xi sub c(r) is compared with the particle correlation function, xi(r) in cosmological N-body simulations with a wide range of initial conditions. The experiments include scale-free initial conditions, pancake models with a coherence length in the initial density field, and hybrid models. Three N-body techniques and two cluster-finding algorithms are used. In scale-free models with white noise initial conditions, xi sub c and xi are essentially identical. In scale-free models with more power on large scales, it is found that the amplitude of xi sub c increases with cluster richness; in this case the clusters give a biased estimate of the particle correlations. In the pancake and hybrid models (with n = 0 or 1), xi sub c is steeper than xi, but the cluster correlation length exceeds that of the points by less than a factor of 2, independent of cluster richness. Thus the high amplitude of xi sub c found in studies of rich clusters of galaxies is inconsistent with white noise and pancake models and may indicate a primordial fluctuation spectrum with substantial power on large scales.

Study of II Galactic quadrant of Milky Way Galaxy using open clusters

NASA Astrophysics Data System (ADS)

Bisht, Devendra; Ganesh, Shashikiran; Baliyan, Kiran Singh; Yadav, Ramakant Singh; Durgapal, Alok

2018-04-01

We have made UBV I CCD observations for the open clusters Teutsch 1, Riddle 4 and Czernik 6 using 1.04-m Sampurnanand telescope located at the ARIES observatory (Manora peak, Nainital, India). We have used 2MASS JHKS data for the clusters Teutsch 126, Teutsch 54 and Czernik 3. For the estimation of fundamental parameters, we have plotted radial density profiles, colour-magnitude and colour-colour diagrams. Using these inputs, we have studied the structure of Milky Way Galaxy in the second Galactic quadrant. We have considered the open clusters that are younger than 1 Gyrs and lay in the longitude range from 90 to 180 deg. Our study shows that up to 3.5 Kpc, the Galactic disc bends towards the southern hemisphere while after 3.5 Kpc it bends towards the northern hemisphere. The distribution of reddening with longitude and age shows a decreasing trend with the longitude and age of the clusters. Our study also indicates that younger clusters have more reddening than older ones.

The Open Cluster Chemical Abundances and Mapping (OCCAM) Survey: Galactic Neutron Capture Abundance Gradients

NASA Astrophysics Data System (ADS)

O'Connell, Julia; Frinchaboy, Peter M.; Shetrone, Matthew D.; Melendez, Matthew; Cunha, Katia M. L.; Majewski, Steven R.; Zasowski, Gail; APOGEE Team

2017-01-01

The evolution of elements, as a function or age, throughout the Milky Way disk provides a key constraint for galaxy evolution models. In an effort to provide these constraints, we have conducted an investigation into the r- and s- process elemental abundances for a large sample of open clusters as part of an optical follow-up to the SDSS-III/APOGEE-1 survey. Stars were identified as cluster members by the Open Cluster Chemical Abundance & Mapping (OCCAM) survey, which culls member candidates by radial velocity, metallicity, and proper motion from the observed APOGEE sample. To obtain data for neutron capture elements in these clusters, we conducted a long-term observing campaign covering three years (2013-2016) using the McDonald Observatory Otto Struve 2.1-m telescope and Sandiford Cass Echelle Spectrograph (R ~ 60,000). We present Galactic neutron-capture abundance gradients using 30+ clusters, within 6 kpc of the Sun, covering a range of ages from ~80 Myr to ~10 Gyr .

The Open Cluster Chemical Abundances and Mapping (OCCAM) Survey: Galactic Neutron CaptureAbundance Gradients

NASA Astrophysics Data System (ADS)

O'Connell, Julia; Frinchaboy, Peter M.; Shetrone, Matthew D.; Melendez, Matthew; Cunha, Katia; Majewski, Steven R.; Zasowski, Gail; APOGEE Team

2017-06-01

The evolution of elements, as a function or age, throughout the Milky Way disk provides a key constraint for galaxy evolution models. In an effort to provide these constraints, we have conducted an investigation into the r- and s- process elemental abundances for a large sample of open clusters as part of an optical follow-up to the SDSS-III/APOGEE-1 survey. Stars were identified as cluster members by the Open Cluster Chemical Abundance & Mapping (OCCAM) survey, which culls member candidates by radial velocity, metallicity and proper motion from the observed APOGEE sample. To obtain data for neutron capture elements in these clusters, we conducted a long-term observing campaign covering three years (2013-2016) using the McDonald Observatory Otto Struve 2.1-m telescope and Sandiford Cass Echelle Spectrograph (R ~ 60,000). We present Galactic neutron capture abundance gradients using 30+ clusters, within 6 kpc of the Sun, covering a range of ages from ~80 Myr to ~10 Gyr .

Density functional theory study of bulk and single-layer magnetic semiconductor CrPS4

NASA Astrophysics Data System (ADS)

Zhuang, Houlong L.; Zhou, Jia

2016-11-01

Searching for two-dimensional (2D) materials with multifunctionality is one of the main goals of current research in 2D materials. Magnetism and semiconducting are certainly two desirable functional properties for a single 2D material. In line with this goal, here we report a density functional theory (DFT) study of bulk and single-layer magnetic semiconductor CrPS4. We find that the ground-state magnetic structure of bulk CrPS4 exhibits the A-type antiferromagnetic ordering, which transforms to ferromagnetic (FM) ordering in single-layer CrPS4. The calculated formation energy and phonon spectrum confirm the stability of single-layer CrPS4. The band gaps of FM single-layer CrPS4 calculated with a hybrid density functional are within the visible-light range. We also study the effects of FM ordering on the optical absorption spectra and band alignments for water splitting, indicating that single-layer CrPS4 could be a potential photocatalyst. Our work opens up ample opportunities of energy-related applications of single-layer CrPS4.

A highly sensitive and selective electrochemical sensor for determination of Cr(VI) in the presence of Cr(III) using modified multi-walled carbon nanotubes/quercetin screen-printed electrode.

PubMed

Sadeghi, Susan; Garmroodi, Aziz

2013-12-01

A novel screen-printed carbon electrode modified with quercetin/multi-walled carbon nanotubes was fabricated for determination of Cr(VI) in the presence of excess of Cr(III) without any pretreatment. The method is based on accumulation of the quercetin-Cr(III) complex generated in situ from Cr(VI) at the modified electrode surface in an open circuit followed by differential pulse voltammetry detection. The new method allowed selective determination of Cr(VI) in the presence of Cr(III). The influence of various parameters affecting the adsorptive stripping voltammetry performance was investigated. Under the optimum conditions, the calibration plot was found to be linear in the Cr(VI) concentration range from 1.0 to 200 μmol(-1) with a limit of detection(S/N=3) of 0.3 μmol L(-1). The relative standard deviation (RSD%) of seven replicates of the current measurements for a 50 μmol(-1) of Cr(VI) solution was 3.0%. The developed electrode displayed a very low or no sensitivity to alkali, alkali-earth and transition metal cations and was successfully applied for the determination of Cr(VI) in drinking water samples. © 2013.

The asymptotic behavior in a reversible random coagulation-fragmentation polymerization process with sub-exponential decay

NASA Astrophysics Data System (ADS)

Dong, Siqun; Zhao, Dianli

2018-01-01

This paper studies the subcritical, near-critical and supercritical asymptotic behavior of a reversible random coagulation-fragmentation polymerization process as N → ∞, with the number of distinct ways to form a k-clusters from k units satisfying f(k) =(1 + o (1)) cr-ke-kαk-β, where 0 < α < 1 and β > 0. When the cluster size is small, its distribution is proved to converge to the Gaussian distribution. For the medium clusters, its distribution will converge to Poisson distribution in supercritical stage, and no large clusters exist in this stage. Furthermore, the largest length of polymers of size N is of order ln N in the subcritical stage under α ⩽ 1 / 2.

Conical Refraction Bottle Beams for Entrapment of Absorbing Droplets.

PubMed

Esseling, Michael; Alpmann, Christina; Schnelle, Jens; Meissner, Robert; Denz, Cornelia

2018-03-22

Conical refraction (CR) optical bottle beams for photophoretic trapping of airborne absorbing droplets are introduced and experimentally demonstrated. CR describes the circular split-up of unpolarised light propagating along an optical axis in a biaxial crystal. The diverging and converging cones lend themselves to the construction of optical bottle beams with flexible entry points. The interaction of single inkjet droplets with an open or partly open bottle beam is shown implementing high-speed video microscopy in a dual-view configuration. Perpendicular image planes are visualized on a single camera chip to characterize the integral three-dimensional movement dynamics of droplets. We demonstrate how a partly opened optical bottle transversely confines liquid objects. Furthermore we observe and analyse transverse oscillations of absorbing droplets as they hit the inner walls and simultaneously measure both transverse and axial velocity components.

The Impact of The Open-Space School Upon Teacher Influence and Autonomy: The Effects of an Organizational Innovation.

ERIC Educational Resources Information Center

Meyer, John; And Others

This study compares teachers in open-space and traditional schools with respect to variables including the teacher's sense of influence, job satisfaction, and attitude toward being evaluated by colleges. Questionnaires were administered to 110 teachers from nine open-space elementary schools and 120 teachers from eight traditional elementary…

A method for determining the radius of an open cluster from stellar proper motions

NASA Astrophysics Data System (ADS)

Sánchez, Néstor; Alfaro, Emilio J.; López-Martínez, Fátima

2018-04-01

We propose a method for calculating the radius of an open cluster in an objective way from an astrometric catalogue containing, at least, positions and proper motions. It uses the minimum spanning tree in the proper motion space to discriminate cluster stars from field stars and it quantifies the strength of the cluster-field separation by means of a statistical parameter defined for the first time in this paper. This is done for a range of different sampling radii from where the cluster radius is obtained as the size at which the best cluster-field separation is achieved. The novelty of this strategy is that the cluster radius is obtained independently of how its stars are spatially distributed. We test the reliability and robustness of the method with both simulated and real data from a well-studied open cluster (NGC 188), and apply it to UCAC4 data for five other open clusters with different catalogued radius values. NGC 188, NGC 1647, NGC 6603, and Ruprecht 155 yielded unambiguous radius values of 15.2 ± 1.8, 29.4 ± 3.4, 4.2 ± 1.7, and 7.0 ± 0.3 arcmin, respectively. ASCC 19 and Collinder 471 showed more than one possible solution, but it is not possible to know whether this is due to the involved uncertainties or due to the presence of complex patterns in their proper motion distributions, something that could be inherent to the physical object or due to the way in which the catalogue was sampled.

The First Photometric Analysis of the Open Clusters Dolidze 32 and 36

NASA Astrophysics Data System (ADS)

Amin, M. Y.; Elsanhory, W. H.; Haroon, A. A.

2018-06-01

We present a first study of two open clusters Dolidze 32 and Dolidze 36 in the near-infrared region JHKs with the aid of PPMXL catalog. In our study, we used a method able to separate open cluster stars from those that belong to the stellar background. Our results of calculations indicate that for both cluster Dolidze 32 and Dolidze 36 the number of probable member is 286 and 780, respectively. We have estimated the cluster center for Dolidze 32 and Dolidze 36 are α = 18h41m4s.188 , δ = -04°04'57''.144 , α = 20h02m29s.95 , δ = 42°05'49''.2 , respectively. The limiting radius for both clusters Dolidze 32 and Dolidze 36 is about 0.94 ± 0.03 pc and 0.81 ± 0.03 pc, respectively. The Color Magnitude Diagram allows us to estimate the reddening E(B - V) = 1.41 ± 0.03 mag. for Dolidze 32 and E(B - V) = 0.19 ± 0.04 mag. for Dolidze 36 in such a way that the distance modulus (m - M) is 11.36 ± 0.02 and 10.10 ± 0.03 for both clusters, respectively. On the other hand, the luminosity and mass functions of these two open clusters, Dolidze 32 and Dolidze 36, have been estimated, showing that the estimated masses are 437 ± 21 M⊙ and 678 ± 26 M⊙, respectively, while the mass function slopes are -2.56 ± 0.62 and -2.01 ± 0.70 for Dolidze 32 and Dolidze 36, respectively. Finally, the dynamical state of these two clusters shows that only Dolidze 36 can be considered as a dynamically relaxed cluster.

Primordial binary populations in low-density star clusters as seen by Chandra: globular clusters versus old open clusters

NASA Astrophysics Data System (ADS)

van den Berg, Maureen C.

2015-08-01

The binaries in the core of a star cluster are the energy source that prevents the cluster from experiencing core collapse. To model the dynamical evolution of a cluster, it is important to have constraints on the primordial binary content. X-ray observations of old star clusters are very efficient in detecting the close interacting binaries among the cluster members. The X-ray sources in star clusters are a mix of binaries that were dynamically formed and primordial binaries. In massive, dense star clusters, dynamical encounters play an important role in shaping the properties and numbers of the binaries. In contrast, in the low-density clusters the impact of dynamical encounters is presumed to be very small, and the close binaries detected in X-rays represent a primordial population. The lowest density globular clusters have current masses and central densities similar to those of the oldest open clusters in our Milky Way. I will discuss the results of studies with the Chandra X-ray Observatory that have nevertheless revealed a clear dichotomy: far fewer (if any at all) X-ray sources are detected in the central regions of the low-density globular clusters compared to the number of secure cluster members that have been detected in old open clusters (above a limiting X-ray luminosity of typically 4e30 erg/s). The low stellar encounter rates imply that dynamical destruction of binaries can be ignored at present, therefore an explanation must be sought elsewhere. I will discuss several factors that can shed light on the implied differences between the primordial close binary populations in the two types of star clusters.

Retrospective analysis of insulin responses to standard dosed oral glucose tests (OGTs) via naso-gastric tubing towards definition of an objective cut-off value.

PubMed

Warnken, Tobias; Delarocque, Julien; Schumacher, Svenja; Huber, Korinna; Feige, Karsten

2018-01-19

Insulin dysregulation (ID) with basal or postprandial hyperinsulinemia is one of the key findings in horses and ponies suffering from the equine metabolic syndrome (EMS). Assessment of ID can easily be performed in clinical settings by the use of oral glucose challenge tests. Oral glucose test (OGT) performed with 1 g/kg bodyweight (BW) glucose administered via naso-gastric tube allows the exact administration of a defined glucose dosage in a short time. However, reliable cut-off values have not been available so far. Therefore, the aim of the study was to describe variations in insulin response to OGT via naso-gastric tubing and to provide a clinical useful cut-off value for ID when using the insulin quantification performed with an equine-optimized insulin enzyme-linked immunosorbent assay. Data visualization revealed no clear separation in the serum insulin concentration of insulin sensitive and insulin dysregulated horses during OGT. Therefore, a model based clustering method was used to circumvent the use of an arbitrary limit for categorization. This method considered all data-points for the classification, taking into account the individual insulin trajectory during the OGT. With this method two clusters were differentiated, one with low and one with high insulin responses during OGT. The cluster of individuals with low insulin response was consistently detected, independently of the initialization parameters of the algorithm. In this cluster the 97.5% quantile of insulin is 110 µLU/mL at 120 min. We suggest using this insulin concentration of 110 µLU/mL as a cut-off value for samples obtained at 120 min in OGT. OGT performed with 1 g/kg BW glucose and administration via naso-gastric tubing can easily be performed under clinical settings. Application of the cut-off value of 110 µLU/mL at 120 min allows assessment of ID in horses.

Experiences using OpenMP based on Computer Directed Software DSM on a PC Cluster

NASA Technical Reports Server (NTRS)

Hess, Matthias; Jost, Gabriele; Mueller, Matthias; Ruehle, Roland

2003-01-01

In this work we report on our experiences running OpenMP programs on a commodity cluster of PCs running a software distributed shared memory (DSM) system. We describe our test environment and report on the performance of a subset of the NAS Parallel Benchmarks that have been automaticaly parallelized for OpenMP. We compare the performance of the OpenMP implementations with that of their message passing counterparts and discuss performance differences.

A Photometric Search for Planets in the Open Cluster NGC 7086

NASA Astrophysics Data System (ADS)

Rosvick, Joanne M.; Robb, Russell

2006-12-01

In an attempt to discover short-period, Jupiter-mass planets orbiting solar-type stars in open clusters, we searched for planetary transits in the populous and relatively unstudied open cluster NGC 7086. A color-magnitude diagram constructed from new B and V photometry is presented, along with revised estimates of the cluster's color excess, distance modulus, and age. Several turnoff stars were observed spectroscopically in order to determine a color excess of E(B-V)=0.83+/-0.02. Empirically fitting the main sequences of two young open clusters and the semiempirical zero-age main sequence of Vandenberg and Poll yielded a distance modulus of (V-MV)=13.4+/-0.3 mag. This corresponds to a true distance modulus of (m-M)0=10.8 mag or a distance of 1.5 kpc to NGC 7086. These values were used with isochrones from the Padova group to obtain a cluster age of 100 Myr. Eleven nights of R-band photometry were used to search for planetary transits. Differential magnitudes were constructed for each star in the cluster. Light curves for each star were produced on a night-to-night basis and inspected for variability. No planetary transits were apparent; however, some interesting variable stars were discovered: a pulsating variable that appears to be a member of the γ Dor class and four possible eclipsing binary stars, one of which actually may be a multiple system.

Sejong Open Cluster Survey (SOS). 0. Target Selection and Data Analysis

NASA Astrophysics Data System (ADS)

Sung, Hwankyung; Lim, Beomdu; Bessell, Michael S.; Kim, Jinyoung S.; Hur, Hyeonoh; Chun, Moo-Young; Park, Byeong-Gon

2013-06-01

Star clusters are superb astrophysical laboratories containing cospatial and coeval samples of stars with similar chemical composition. We initiate the Sejong Open cluster Survey (SOS) - a project dedicated to providing homogeneous photometry of a large number of open clusters in the SAAO Johnson-Cousins' UBVI system. To achieve our main goal, we pay much attention to the observation of standard stars in order to reproduce the SAAO standard system. Many of our targets are relatively small sparse clusters that escaped previous observations. As clusters are considered building blocks of the Galactic disk, their physical properties such as the initial mass function, the pattern of mass segregation, etc. give valuable information on the formation and evolution of the Galactic disk. The spatial distribution of young open clusters will be used to revise the local spiral arm structure of the Galaxy. In addition, the homogeneous data can also be used to test stellar evolutionary theory, especially concerning rare massive stars. In this paper we present the target selection criteria, the observational strategy for accurate photometry, and the adopted calibrations for data analysis such as color-color relations, zero-age main sequence relations, Sp - M_V relations, Sp - T_{eff} relations, Sp - color relations, and T_{eff} - BC relations. Finally we provide some data analysis such as the determination of the reddening law, the membership selection criteria, and distance determination.

Terminal Hydride Species in [FeFe]-Hydrogenases are Vibrationally Coupled to the Active Site Environment.

PubMed

Cramer, Stephen Paul; Pham, Cindy C; Mulder, David W; Pelmenschikov, Vladimir; King, Paul W; Ratzloff, Michael W; Wang, Hongxin; Mishra, Nakul; Alp, Ercan; Zhao, Jiyong; Hu, Michael Y; Tamasaku, Kenji; Yoda, Yoshitaka

2018-06-19

A combination of NRVS and FT-IR spectroscopies and DFT calculations was used to observe and characterize Fe-H/D bending modes in CrHydA1 [FeFe]-hydrogenase Cys-to-Ser variant C169S. Mutagenesis of cysteine to serine at position 169 changes the functional group adjacent to the H-cluster from a -SH to -OH, thus altering the proton transfer pathway. C169S has a significant reduction in catalytic activity compared to the native CrHydA1, presumably due to less efficient transfer of protons to the H-cluster. This mutation allowed effective capture of a hydride/deuteride intermediate and facilitated direct detection of the Fe-H/D normal modes. We find a significant shift to higher frequency in a Fe-H bending mode of the C169S variant, as compared to previous findings with reconstituted native and oxadithiolate (ODT) substituted CrHydA1. Rationalized by DFT calculations, we propose that this shift is caused by a stronger interaction between the -OH of C169S with the bridgehead -NH- of the active site, as compared to the -SH of C169 in the native enzyme. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Identifying Hot-Spots of Metal Contamination in Campus Dust of Xi’an, China

PubMed Central

Chen, Hao; Lu, Xinwei; Gao, Tianning; Chang, Yuyu

2016-01-01

The concentrations of heavy metals (As, Ba, Co, Cr, Cu, Mn, Ni, Pb, V, and Zn) in campus dust from kindergartens, elementary schools, middle schools, and universities in the city of Xi’an, China, were determined by X-ray fluorescence spectrometry. The pollution levels and hotspots of metals were analyzed using a geoaccumulation index and Local Moran’s I, an indicator of spatial association, respectively. The dust samples from the campuses had metal concentrations higher than background levels, especially for Pb, Zn, Co, Cu, Cr, and Ba. The pollution assessment indicated that the campus dusts were not contaminated with As, Mn, Ni, or V, were moderately or not contaminated with Ba and Cr and were moderately to strongly contaminated with Co, Cu, Pb, and Zn. Local Moran’s I analysis detected the locations of spatial clusters and outliers and indicated that the pollution with these 10 metals occurred in significant high-high spatial clusters, low-high, or even high-low spatial outliers. As, Cu, Mn, Ni, Pb, V, and Zn had important high-high patterns in the center of Xi’an. The western and southwestern regions of the study area, i.e., areas of old and high-tech industries, have strongly contributed to the Co content in the campus dust. PMID:27271645

Hybrid Organic/Inorganic Materials Depth Profiling Using Low Energy Cesium Ions

NASA Astrophysics Data System (ADS)

Noël, Céline; Houssiau, Laurent

2016-05-01

The structures developed in organic electronics, such as organic light emitting diodes (OLEDs) or organic photovoltaics (OPVs) devices always involve hybrid interfaces, joining metal or oxide layers with organic layers. No satisfactory method to probe these hybrid interfaces physical chemistry currently exists. One promising way to analyze such interfaces is to use in situ ion beam etching, but this requires ion beams able to depth profile both inorganic and organic layers. Mono- or diatomic ion beams commonly used to depth profile inorganic materials usually perform badly on organics, while cluster ion beams perform excellently on organics but yield poor results when organics and inorganics are mixed. Conversely, low energy Cs+ beams (<500 eV) allow organic and inorganic materials depth profiling with comparable erosion rates. This paper shows a successful depth profiling of a model hybrid system made of metallic (Au, Cr) and organic (tyrosine) layers, sputtered with 500 eV Cs+ ions. Tyrosine layers capped with metallic overlayers are depth profiled easily, with high intensities for the characteristic molecular ions and other specific fragments. Metallic Au or Cr atoms are recoiled into the organic layer where they cause some damage near the hybrid interface as well as changes in the erosion rate. However, these recoil implanted metallic atoms do not appear to severely degrade the depth profile overall quality. This first successful hybrid depth profiling report opens new possibilities for the study of OLEDs, organic solar cells, or other hybrid devices.

Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

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

Datta, Dipayan, E-mail: datta.dipayan@gmail.com; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and M{sub S} = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calculating themore » analytic first derivatives of the energy. Benchmark calculations are presented for NO, NCO, CH{sub 2}CN, and two conjugated π-radicals, viz., allyl and 1-pyrrolyl in order to demonstrate the performance of the proposed scheme.« less

Site partitioning of Cr3+ in the trichroic alexandrite BeAl2O4:Cr3+ crystal: contribution from x-ray absorption spectroscopy

NASA Astrophysics Data System (ADS)

Bordage, Amélie; Rossano, Stéphanie; Horn, Adolf Heinrich; Fuchs, Yves

2012-06-01

X-ray absorption spectroscopy measurements at the Cr K-edge of a trichroic crystal of alexandrite BeAl2O4:Cr3+ for different orientations of the crystal with respect to the polarization and direction of the x-ray incident beam have been performed. Analysis of the experimental spectra with the help of first-principles calculations of x-ray absorption spectra allowed us to estimate the proportion of chromium Cr3+ cations among the two different octahedral sites of the alexandrite structure (70% in the Cs site-30% in the Ci site). The methodology presented in this work opens up new possibilities in the field of mineralogy for the study of complex minerals containing several sites potentially occupied by several transition elements or for solid solutions.

Visible-light-enhanced Cr(VI) reduction at Pd-decorated silicon nanowire photocathode in photoelectrocatalytic microbial fuel cell.

PubMed

Han, He-Xing; Shi, Chen; Zhang, Nan; Yuan, Li; Sheng, Guo-Ping

2018-10-15

Hexavalent chromium (Cr(VI)) is a prominent toxic metal with significant adverse human health effects. Photocatalytic reduction of Cr(VI) to less-toxic trivalent chromium (Cr(III)) is a promising method for removing Cr(VI) from aquatic environments. However, this technique often suffers from electron-hole recombination of semiconductors and poor reduction efficiency. The photoelectrocatalytic microbial fuel cell (Photo-MFC), which can use wastewater and light to recover electricity, has recently been proven to improve the separation of photocarriers of semiconductors and enhance cathodic reduction of pollutants. Here, the reduction of Cr(VI) was investigated in a Photo-MFC with a Pd-decorated p-type silicon nanowire (Pd/SiNW) photocathode and a bioanode under visible light. The Cr(VI) reduction efficiency reached 98.7% in 8 h under visible light, which was much higher than that under dark condition (56.2%) and open-circuit condition (19.4%). The enhanced Cr(VI) removal was mainly attributed to the synergistic effect of Pd/SiNW photocathode and bioanode. Cr(VI) reduction in the Photo-MFC fitted well with pseudo-first-order kinetics. The kinetics constants and reduction efficiencies of Cr(VI) decreased with the increase of pH, initial Cr(VI) concentration and external resistance. This work provides a promising alternative to mitigate Cr(VI) pollution in aquatic environments. Copyright © 2018 Elsevier B.V. All rights reserved.

Trivalent chromium alleviates oleic acid induced steatosis in SMMC-7721 cells by decreasing fatty acid uptake and triglyceride synthesis.

PubMed

Wang, Song; Wang, Jian; Zhang, Xiaonan; Hu, Linlin; Fang, Zhijia; Huang, Zhiwei; Shi, Ping

2016-10-01

Trivalent chromium [Cr(III)] has been shown as an essential trace element for human health. Previous studies depict that Cr(III) plays important roles in maintaining normal glucose and lipid metabolism, whereas its effect on the hepatic lipid metabolism is still unknown. In the present study, we investigated the effects and underlying mechanisms of Cr on hepatic steatosis induced by oleic acid (OA) in human hepatoma SMMC-7721 cells. Hepatic steatosis model was co-administered with Cr. Indexes of lipid accumulation were determined and associated genes expression were analyzed. The data showed that OA could induce lipid accumulation and triglyceride (TG) content in SMMC-7721 cells, and significantly increase the expression of cluster of differentiation 36 (CD36) and diacylglycerol acyltransferase 2 (DGAT2). This steatosis effect of OA was ameliorated by Cr. The TG accumulation and up-regulation of CD36 and DGAT2 genes followed steatosis induction were inhibited by Cr. After the treatment of Cr, excessive intracellular OA content was also attenuated. Furthermore, Cr still performed inhibitory effect of DGAT2 expression at the presence of DGAT2 agonist or inhibitor, which indicated that the inhibitory effect of Cr on lipogenesis is associated with the downregulation of DGAT2 expression. These findings demonstrate that Cr alleviates hepatic steatosis via suppressing CD36 expression to prevent fatty acid uptake, as well as suppressing DGAT2 expression to inhibit TG synthesis. It suggests that CD36 and DGAT2 might become the novel drug targets for their properties in hepatic steatosis. Most importantly, Cr may be a potential anti-steatosis candidate to offer protective effects against liver damage.

Anxiety-like behaviour in adult rats perinatally exposed to maternal calorie restriction.

PubMed

Levay, Elizabeth A; Paolini, Antonio G; Govic, Antonina; Hazi, Agnes; Penman, Jim; Kent, Stephen

2008-08-22

Environmental stimuli such as caloric availability during the perinatal period exert a profound influence on the development of an organism. Studies in this domain have focused on the effects of under- and malnutrition while the effects of more mild levels of restriction have not been delineated. Rat dams and their offspring were subjected to one of five dietary regimens: control, CR50% for 3 days preconception, CR25% during gestation, CR25% during lactation, and CR25% during gestation, lactation, and post-weaning (lifelong). The pup retrieval test and maternal observations were conducted during lactation to quantify maternal care. In the pup retrieval test, dams that were concurrently experiencing CR (i.e., from the lactation and lifelong groups) displayed shorter latencies to retrieve all pups than the control and preconception groups and the lactation group constructed better nests than all groups. Adult offspring were tested in three tests of anxiety: the elevated plus maze, open field, and emergence test. No differences were observed in the elevated plus maze; however, in the open field preconception animals made fewer entries and spent more time in the central zone than controls. In addition, preconception offspring exhibited longer latencies to full body emergence, spent less time fully emerged, and spent more time engaged in risk assessment behaviours than all other groups. Offspring from the preconception group were also on average 11% heavier than control rats throughout life and displayed 37% higher serum leptin concentrations than controls. A potential role for leptin in the anxiogenic effect of preconception CR is discussed.

Open source clustering software.

PubMed

de Hoon, M J L; Imoto, S; Nolan, J; Miyano, S

2004-06-12

We have implemented k-means clustering, hierarchical clustering and self-organizing maps in a single multipurpose open-source library of C routines, callable from other C and C++ programs. Using this library, we have created an improved version of Michael Eisen's well-known Cluster program for Windows, Mac OS X and Linux/Unix. In addition, we generated a Python and a Perl interface to the C Clustering Library, thereby combining the flexibility of a scripting language with the speed of C. The C Clustering Library and the corresponding Python C extension module Pycluster were released under the Python License, while the Perl module Algorithm::Cluster was released under the Artistic License. The GUI code Cluster 3.0 for Windows, Macintosh and Linux/Unix, as well as the corresponding command-line program, were released under the same license as the original Cluster code. The complete source code is available at http://bonsai.ims.u-tokyo.ac.jp/mdehoon/software/cluster. Alternatively, Algorithm::Cluster can be downloaded from CPAN, while Pycluster is also available as part of the Biopython distribution.

Defining clusters in APT reconstructions of ODS steels.

PubMed

Williams, Ceri A; Haley, Daniel; Marquis, Emmanuelle A; Smith, George D W; Moody, Michael P

2013-09-01

Oxide nanoclusters in a consolidated Fe-14Cr-2W-0.3Ti-0.3Y₂O₃ ODS steel and in the alloy powder after mechanical alloying (but before consolidation) are investigated by atom probe tomography (APT). The maximum separation method is a standard method to define and characterise clusters from within APT data, but this work shows that the extent of clustering between the two materials is sufficiently different that the nanoclusters in the mechanically alloyed powder and in the consolidated material cannot be compared directly using the same cluster selection parameters. As the cluster selection parameters influence the size and composition of the clusters significantly, a procedure to optimise the input parameters for the maximum separation method is proposed by sweeping the d(max) and N(min) parameter space. By applying this method of cluster parameter selection combined with a 'matrix correction' to account for trajectory aberrations, differences in the oxide nanoclusters can then be reliably quantified. Copyright © 2012 Elsevier B.V. All rights reserved.

Commentary on interstellar matter associated with 18 open clusters

NASA Technical Reports Server (NTRS)

Leisawitz, David

1989-01-01

Information supplementary to that contained in Section 4 of an article entitled, A CO Survey of Regions Around 34 Open Clusters, (Leisawitz, Bash, and Thaddeus) published in the Astrophysical Journal Supplement Series, Volume 70, Number 4, August 1989 is summarized. The information presented here, which describes the interstellar environments of young clusters and some cluster physical characteristics, comes from observations published in the astronomical literature and the author's carbon monoxide (CO) emission line survey, and may help clarify our understanding of the interaction of massive stars with the interstellar medium.

A Search for Variable Stars in Ruprecht 134 (Abstract)

NASA Astrophysics Data System (ADS)

El Hamri, R.; Blake, M.

2018-06-01

(Abstract only) Contact binary stars have been found in many old open clusters. These stars are useful for obtaining the distances to these star clusters and for understanding the stellar populations and evolution of the old clusters. Ruprecht 134 is a relatively neglected, old open cluster with an age of about 1 Gyr. We have obtained observations of Ruprecht 134 using the 1-meter telescope at Cerro Tololo Interamerican Observatory for the purpose of identifying candidate contact binaries. We present the preliminary results of this search and discuss future observations.

Photometric Study of Intermediate Age Open Clusters

NASA Astrophysics Data System (ADS)

Contreras, Maria Eugenia; Michel, R.; Schuster, W.; Chavarria-Kleinhenn, C.; Olguin, L.

2011-05-01

We present the study of a sample of intermediate age open clusters (age 10-30 Myr) using optical (UBVRI) and infrared (JHK) photometric data. Optical photometry was obtained as part of the San Pedro Martir Open Clusters Project (SPM-OCP, Schuster et al. 2007; Michel et al. 2011, in preparation) while near-infrared photometry was retrieved from the 2MASS public data archive (ref). Most of the clusters included in SPM-OCP were selected from the Dias et al. (2002). catalog. On one hand, UVRI photometry was used to derive fundamental parameters of each cluster in the sample, such as age, distance and reddening. On the other hand, infrared photometry has allowed us to carry out a preliminary search of candidate stars to posses a circumstellar disk detected via its near-infrared excess. Observational data show that the number of infrared excess detection decreases with stellar age and actually this emission seems to completely disappear in stars with an age of 30 Myr (Strom et al. 1993; Muzerolle et al. 2000). One possible explanation for the lack of infrared emission has been proposed to be grain coagulation where small dust particles grow into larger and larger bodies until forming planetesimals and even planets. In this work we are aimed to analyze a sample of open clusters lying in this crucial age range.

Long-Period Planets in Open Clusters and the Evolution of Planetary Systems

NASA Astrophysics Data System (ADS)

Quinn, Samuel N.; White, Russel; Latham, David W.; Stefanik, Robert

2018-01-01

Recent discoveries of giant planets in open clusters confirm that they do form and migrate in relatively dense stellar groups, though overall occurrence rates are not yet well constrained because the small sample of giant planets discovered thus far predominantly have short periods. Moreover, planet formation rates and the architectures of planetary systems in clusters may vary significantly -- e.g., due to intercluster differences in the chemical properties that regulate the growth of planetary embryos or in the stellar space density and binary populations, which can influence the dynamical evolution of planetary systems. Constraints on the population of long-period Jovian planets -- those representing the reservoir from which many hot Jupiters likely form, and which are most vulnerable to intracluster dynamical interactions -- can help quantify how the birth environment affects formation and evolution, particularly through comparison of populations possessing a range of ages and chemical and dynamical properties. From our ongoing RV survey of open clusters, we present the discovery of several long-period planets and candidate substellar companions in the Praesepe, Coma Berenices, and Hyades open clusters. From these discoveries, we improve estimates of giant planet occurrence rates in clusters, and we note that high eccentricities in several of these systems support the prediction that the birth environment helps shape planetary system architectures.

Estimating metallicities with isochrone fits to photometric data of open clusters

NASA Astrophysics Data System (ADS)

Monteiro, H.; Oliveira, A. F.; Dias, W. S.; Caetano, T. C.

2014-10-01

The metallicity is a critical parameter that affects the correct determination of stellar cluster's fundamental characteristics and has important implications in Galactic and Stellar evolution research. Fewer than 10% of the 2174 currently catalogued open clusters have their metallicity determined in the literature. In this work we present a method for estimating the metallicity of open clusters via non-subjective isochrone fitting using the cross-entropy global optimization algorithm applied to UBV photometric data. The free parameters distance, reddening, age, and metallicity are simultaneously determined by the fitting method. The fitting procedure uses weights for the observational data based on the estimation of membership likelihood for each star, which considers the observational magnitude limit, the density profile of stars as a function of radius from the center of the cluster, and the density of stars in multi-dimensional magnitude space. We present results of [Fe/H] for well-studied open clusters based on distinct UBV data sets. The [Fe/H] values obtained in the ten cases for which spectroscopic determinations were available in the literature agree, indicating that our method provides a good alternative to estimating [Fe/H] by using an objective isochrone fitting. Our results show that the typical precision is about 0.1 dex.

CrN precipitation and elemental segregation during the decay of expanded austenite

NASA Astrophysics Data System (ADS)

Manova, D.; Lotnyk, A.; Mändl, S.; Neumann, H.; Rauschenbach, B.

2016-06-01

Nitrogen insertion into austenitic stainless steel at elevated temperatures leads to anomalous fast nitrogen diffusion and the formation of an expanded fcc phase which is known as expanded austenite. In situ x-ray diffraction measurements during low energy nitrogen ion implantation into steel AISI 304 at 475 °C and short annealing at 575 °C were performed in conjunction with transmission electron microscopy investigations. They show the time dependent decay of this expanded phase with coalescing and growing CrN precipitates. There is elemental segregation associated with this decay where Fe is absent very early from the Cr-N containing precipitates. Ni is segregating towards the Fe-rich matrix more slowly. At the same time, the microstructure—decayed phase vs expanded austenite—is visible in SIMS cluster analysis.

Fine structure of Fe-Co-Ga and Fe-Cr-Ga alloys with low Ga content

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

Kleinerman, Nadezhda M., E-mail: kleinerman@imp.uran.ru; Serikov, Vadim V., E-mail: kleinerman@imp.uran.ru; Vershinin, Aleksandr V., E-mail: kleinerman@imp.uran.ru

2014-10-27

Investigation of Ga influence on the structure of Fe-Cr and Fe-Co alloys was performed with the use of {sup 57}Fe Mössbauer spectroscopy and X-ray diffraction methods. In the alloys of the Fe-Cr system, doping with Ga handicaps the decomposition of solid solutions, observed in the binary alloys, and increases its stability. In the alloys with Co, Ga also favors the uniformity of solid solutions. The analysis of Mössbauer experiments gives some grounds to conclude that if, owing to liquation, clusterization, or initial stages of phase separation, there exist regions enriched in iron, some amount of Ga atoms prefer to entermore » the nearest surroundings of iron atoms, thus forming binary Fe-Ga regions (or phases)« less

Origin discrimination of defatted pork via trace elements profiling, stable isotope ratios analysis, and multivariate statistical techniques.

PubMed

Park, Yu Min; Lee, Cheong Mi; Hong, Joon Ho; Jamila, Nargis; Khan, Naeem; Jung, Jong-Hyun; Jung, Young-Chul; Kim, Kyong Su

2018-09-01

This study verified the origin of 346 defatted Korean and non-Korean pork samples via trace elements profiling, and C and N stable isotope ratios analysis. The analyzed elements were 6 Li, 7 Li, 10 B, 11 B, 51 V , 50 Cr, 52 Cr, 53 Cr, 55 Mn, 58 Ni, 60 Ni, 59 Co, 63 Cu, 65 Cu, 64 Zn, 66 Zn, 69 Ga, 71 Ga, 75 As, 82 Se, 84 Sr, 86 Sr, 87 Sr, 88 Sr, 85 Rb, 94 Mo, 95 Mo, 97 Mo, 107 Ag, 109 Ag, 110 Cd, 111 Cd, 113 Cd, 112 Cd, 114 Cd, 116 Cd, 133 Cs, 206 Pb, 207 Pb, and 208 Pb. Content (mg/kg) of 51 V (0.012), 50 Cr (0.882), 75 As (0.017), 85 Rb (57.7), and 87 Sr (46.3) were high in Korean pork samples whereas 6 Li, 7 Li, 59 Co, 55 Mn, 58 Ni, 84 Sr, 86 Sr, 88 Sr, 111 Cd, and 133 Cs were found higher in non-Korean samples. The results of discriminant analysis showed that the trace elements content and stable isotope ratios were significant for the discrimination of geographical origins with a perfect discrimination rate of 100%. Copyright © 2018 Elsevier Ltd. All rights reserved.

Low-frequency radio observations of poor clusters of galaxies

NASA Technical Reports Server (NTRS)

Hanisch, R. J.; White, R. A.

1981-01-01

Observations have been made at the Clark Lake Radio Observatory of 16 poor clusters of galaxies at 34.3 MHz. Four of the poor clusters were detected at flux densities greater than 20 Jy. The spectra of the four detected clusters are all rather steep. Two of the detected clusters, AWM 4 and AWM 5, are also known to be X-ray sources. The possibility that the X-ray-emitting gas is heated by Coulomb interactions with the relativistic electrons responsible for the radio emission is investigated, and it is found that the observed X-ray luminosities can be accounted for if the electron energy spectrum extends to very low energies (gamma approximately 1-10). Collective plasma effects may increase the heating efficiency and eliminate the need to extrapolate the electron energy spectrum to such low values.

Distinct effects of Cr bulk doping and surface deposition on the chemical environment and electronic structure of the topological insulator Bi2Se3

NASA Astrophysics Data System (ADS)

Yilmaz, Turgut; Hines, William; Sun, Fu-Chang; Pletikosić, Ivo; Budnick, Joseph; Valla, Tonica; Sinkovic, Boris

2017-06-01

In this report, it is shown that Cr doped into the bulk and Cr deposited on the surface of Bi2Se3 films produced by molecular beam epitaxy (MBE) have strikingly different effects on both the electronic structure and chemical environment. Angle resolved photoemission spectroscopy (ARPES) shows that Cr doped into the bulk opens a surface state energy gap which can be seen at room temperature; much higher than the measured ferromagnetic transition temperature of ≈10 K. On the other hand, similar ARPES measurements show that the surface states remain gapless down to 15 K for films with Cr surface deposition. In addition, core-level photoemission spectroscopy of the Bi 5d, Se 3d, and Cr 3p core levels show distinct differences in the chemical environment for the two methods of Cr introduction. Surface deposition of Cr results in the formation of shoulders on the lower binding energy side for the Bi 5d peaks and two distinct Cr 3p peaks indicative of two Cr sites. These striking differences suggests an interesting possibility that better control of doping at only near surface region may offer a path to quantum anomalous Hall states at higher temperatures than reported in the literature.

Chromosome Evolution in the Free-Living Flatworms: First Evidence of Intrachromosomal Rearrangements in Karyotype Evolution of Macrostomum lignano (Platyhelminthes, Macrostomida)

PubMed Central

Zadesenets, Kira S.; Ershov, Nikita I.; Berezikov, Eugene; Rubtsov, Nikolay B.

2017-01-01

The free-living flatworm Macrostomum lignano is a hidden tetraploid. Its genome was formed by a recent whole genome duplication followed by chromosome fusions. Its karyotype (2n = 8) consists of a pair of large chromosomes (MLI1), which contain regions of all other chromosomes, and three pairs of small metacentric chromosomes. Comparison of MLI1 with metacentrics was performed by painting with microdissected DNA probes and fluorescent in situ hybridization of unique DNA fragments. Regions of MLI1 homologous to small metacentrics appeared to be contiguous. Besides the loss of DNA repeat clusters (pericentromeric and telomeric repeats and the 5S rDNA cluster) from MLI1, the difference between small metacentrics MLI2 and MLI4 and regions homologous to them in MLI1 were revealed. Abnormal karyotypes found in the inbred DV1/10 subline were analyzed, and structurally rearranged chromosomes were described with the painting technique, suggesting the mechanism of their origin. The revealed chromosomal rearrangements generate additional diversity, opening the way toward massive loss of duplicated genes from a duplicated genome. Our findings suggest that the karyotype of M. lignano is in the early stage of genome diploidization after whole genome duplication, and further studies on M. lignano and closely related species can address many questions about karyotype evolution in animals. PMID:29084138

Open Mess Management Career Ladder AFS 742X0 and CEM Code 74200.

DTIC Science & Technology

1980-12-01

I. OPEN MESS MANAGERS (SPC049, N=187) 11. FOOD / BEVERAGE OPERATIONS ASSISTANI MANAGERS ’LUSTER (GRP076, N=92) a. Bar and Operations Managers (GKP085...said they will or probably will reenlist. 1I. FOOD / BEVERAGE OPERATIONS ASSISTANT MANAGERS CLUSTER (GRP076).- This cluster of 9-2 reslpo nrts-(23...operation of open mess food and beverage functions. The majority of these airmen identify themselves as Assistant Managers of open mess facilities and are

Experiences Using OpenMP Based on Compiler Directed Software DSM on a PC Cluster

NASA Technical Reports Server (NTRS)

Hess, Matthias; Jost, Gabriele; Mueller, Matthias; Ruehle, Roland; Biegel, Bryan (Technical Monitor)

2002-01-01

In this work we report on our experiences running OpenMP (message passing) programs on a commodity cluster of PCs (personal computers) running a software distributed shared memory (DSM) system. We describe our test environment and report on the performance of a subset of the NAS (NASA Advanced Supercomputing) Parallel Benchmarks that have been automatically parallelized for OpenMP. We compare the performance of the OpenMP implementations with that of their message passing counterparts and discuss performance differences.

THE YOUNG OPEN CLUSTER BERKELEY 55

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

Negueruela, Ignacio; Marco, Amparo, E-mail: ignacio.negueruela@ua.es, E-mail: amparo.marco@ua.es

We present UBV photometry of the highly reddened and poorly studied open cluster Berkeley 55, revealing an important population of B-type stars and several evolved stars of high luminosity. Intermediate-resolution far-red spectra of several candidate members confirm the presence of one F-type supergiant and six late supergiants or bright giants. The brightest blue stars are mid-B giants. Spectroscopic and photometric analyses indicate an age 50 {+-} 10 Myr. The cluster is located at a distance d Almost-Equal-To 4 kpc, consistent with other tracers of the Perseus Arm in this direction. Berkeley 55 is thus a moderately young open cluster withmore » a sizable population of candidate red (super)giant members, which can provide valuable information about the evolution of intermediate-mass stars.« less

VizieR Online Data Catalog: M31 PHAT star clusters ages and masses (Fouesneau+, 2014)

NASA Astrophysics Data System (ADS)

Fouesneau, M.; Johnson, L. C.; Weisz, D. R.; Dalcanton, J. J.; Bell, E. F.; Bianchi, L.; Caldwell, N.; Gouliermis, D. A.; Guhathakurta, P.; Kalirai, J.; Larsen, S. S.; Rix, H.-W.; Seth, A. C.; Skillman, E. D.; Williams, B. F.

2017-07-01

For this paper, we use the list of 601 high-probability cluster candidates from the Johnson et al. (2012, J/ApJ/752/95) Year 1 catalog, which contains integrated photometry through six broadband filters from the UV to the near-infrared: F275W (UV), F336W (U), F475W (g), F814W (I), F110W (J), F160W (H). Clusters were detected by eye, primarily based on the F475W images, and visually classified based on their sizes, shapes, and concentrations as explained in Johnson et al. (2012, J/ApJ/752/95). (1 data file).

Genetic Diversity of an Imperiled Neotropical Catfish and Recommendations for Its Restoration

PubMed Central

Fonseca, Fernando S.; Domingues, Rodrigo R.; Hallerman, Eric M.; Hilsdorf, Alexandre W. S.

2017-01-01

The long-whiskered catfish Steindachneridion parahybae (Family Pimelodidae) is endemic to the Paraíba do Sul River basin in southeastern Brazil. This species was heavily exploited by artisanal fisheries and faces challenges posed by dams, introduced species, and deterioration of critical habitat. The remaining populations are small and extirpated from some locales, and the species is listed as critically endangered in Brazil. Screening variation at a partial mitochondrial control region sequence (mtCR) and 20 microsatellite loci, we: (i) describe the patterns of genetic diversity along its current distributional range; (ii) test the null hypothesis of panmixia; (iii) investigate the main factors driving its current population structure, and (iv) propose management of broodstock for fostering recovery of wild populations through genetically cognizant restocking. Our microsatellite data for 70 individuals from five collections indicate moderate levels of heterozygosity (HO = 0.45) and low levels of inbreeding (FIS = 0.016). Individual-based cluster analyses showed clear genetic structure, with three clusters of individuals over the collection area with no mis-assigned individuals, suggesting no recent migration among the three clusters. Pairwise DEST values showed moderate and significant genetic differentiation among all populations so identified. The MUR population may have suffered a recent demographic reduction. mtCRs for 70 individuals exhibited 36 haplotypes resulting from 38 polymorphic sites. Overall, mitochondrial haplotype diversity was 0.930 (±0.023) and nucleotide diversity was 0.011 (±0.002). Significant population structure was observed, with ϕST = 0.226. Genetic markers could be used in a hatchery-based restoration program emphasizing breeding of pairs with low kinship values in order to promote retention of genetic diversity and avoid inbreeding. Individual average kinship relationships showed 87.3% advised matings, 11.0% marginal matings, and 1.7% advised against. While these results comprise a contribution toward planning better breeding management and monitoring, parallel actions to be undertaken include surveying healthy riverine habits for reintroduction and continued searching for wild individuals to introduce new variation into the captive broodstock to avoid adaptation to captivity and to minimize inbreeding. PMID:29312433

Genetic Diversity of an Imperiled Neotropical Catfish and Recommendations for Its Restoration.

PubMed

Fonseca, Fernando S; Domingues, Rodrigo R; Hallerman, Eric M; Hilsdorf, Alexandre W S

2017-01-01

The long-whiskered catfish Steindachneridion parahybae (Family Pimelodidae) is endemic to the Paraíba do Sul River basin in southeastern Brazil. This species was heavily exploited by artisanal fisheries and faces challenges posed by dams, introduced species, and deterioration of critical habitat. The remaining populations are small and extirpated from some locales, and the species is listed as critically endangered in Brazil. Screening variation at a partial mitochondrial control region sequence (mtCR) and 20 microsatellite loci, we: (i) describe the patterns of genetic diversity along its current distributional range; (ii) test the null hypothesis of panmixia; (iii) investigate the main factors driving its current population structure, and (iv) propose management of broodstock for fostering recovery of wild populations through genetically cognizant restocking. Our microsatellite data for 70 individuals from five collections indicate moderate levels of heterozygosity ( H O = 0.45) and low levels of inbreeding ( F IS = 0.016). Individual-based cluster analyses showed clear genetic structure, with three clusters of individuals over the collection area with no mis-assigned individuals, suggesting no recent migration among the three clusters. Pairwise D EST values showed moderate and significant genetic differentiation among all populations so identified. The MUR population may have suffered a recent demographic reduction. mtCRs for 70 individuals exhibited 36 haplotypes resulting from 38 polymorphic sites. Overall, mitochondrial haplotype diversity was 0.930 (±0.023) and nucleotide diversity was 0.011 (±0.002). Significant population structure was observed, with ϕ ST = 0.226. Genetic markers could be used in a hatchery-based restoration program emphasizing breeding of pairs with low kinship values in order to promote retention of genetic diversity and avoid inbreeding. Individual average kinship relationships showed 87.3% advised matings, 11.0% marginal matings, and 1.7% advised against. While these results comprise a contribution toward planning better breeding management and monitoring, parallel actions to be undertaken include surveying healthy riverine habits for reintroduction and continued searching for wild individuals to introduce new variation into the captive broodstock to avoid adaptation to captivity and to minimize inbreeding.

Ab initio study of Pd carbonyls and CO/Pd(110)

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

Ramprasad, R.; Glassford, K.M.; Adams, J.B.

1994-12-31

Carbon monoxide chemisorption on transition metal surfaces has been one of the most extensively studied in surface science in past years due to its importance in a variety of catalytic processes, especially, automotive catalytic converters using Pt or Pd. The authors have performed ab initio studies to understand the electronic and geometric aspects of the Pd-CO bond in small carbonyl clusters and the CO covered (2 x 1)p2mg superstructure of the Pd(110) surface. They have used the standard quantum chemistry package Gaussian to study the former system and a LDA (local density approximation) formalism using ab initio pseudopotentials and amore » plane wave basis to study the latter. The latter results are preliminary; the authors intended to study thicker slabs in the future. The organization of the paper is as follows. The authors describe the methods used in their calculation in Sec. 2. In Sec. 3, they present results and discussion; here, they first look at the smallest possible clusters, viz, Pd{sub 2} and PdCO, take a brief look at the orbital chemistry involved and then move on to the study of the CO covered Pd(110) surface and examine the geometry of the near equilibrium structure.« less

Unusual nanosized associates of carboxy-calix[4]resorcinarene and cetylpyridinium chloride: the macrocycle as a glue for surfactant micelles.

PubMed

Morozova, Ju E; Syakaev, V V; Shalaeva, Ya V; Ermakova, A M; Nizameev, I R; Kadirov, M K; Voloshina, A D; Zobov, V V; Antipin, I S; Konovalov, A I

2017-03-08

The association of cetylpyridinium chloride (CPC) micelles in the presence of octaacetated tetraphenyleneoxymethylcalix[4]resorcinarene (CR) leads to the formation of unusual spherical supramolecular nanoparticles (SNPs). Within the range of CR/CPC molar ratios from 10/1 to 1/10 (except for 1/8), CR, acting as a counterion, decreases the critical micelle concentration of CPC by one order of magnitude and leads to the formation of SNPs with an average hydrodynamic radius of 164 nm and an average zeta potential of -60 mV. The formation of SNPs was studied by NMR FT-PGSE and 2D NOESY, DLS, TEM, fluorimetry, and UV-Vis methods. The stability of SNPs at different temperatures and pH values and in the presence of electrolytes was investigated. The specificity of the interactions of the SNPs with substrates that were preferentially bound by a macrocycle or CPC micelle was studied. The enhancement of cation dye binding in the presence of SNPs is shown. The presented supramolecular system may serve as a nanocapsule for water-soluble and water-insoluble compounds.

Synthetic investigation of binary-ternary Cr(III)-hydroxycarboxylic acid-aromatic chelator systems. Structure-specific influence on adipogenic biomarkers linked to insulin mimesis.

PubMed

Tsave, O; Gabriel, C; Kafantari, M; Yavropoulou, M; Yovos, J G; Raptopoulou, C P; Psycharis, V; Terzis, A; Mateescu, C; Salifoglou, A

2018-07-01

In an attempt to understand the aqueous interactions of Cr(III) with low-molecular mass physiological ligands and examine its role as an adipogenic metallodrug agent in Diabetes mellitus II, the pH-specific synthesis in the binary-ternary Cr(III)-(HA = hydroxycarboxylic acid)-(N,N)-aromatic chelator (AC) (HA = 2-hydroxyethyl iminodiacetic acid/heidaH 2 , quinic acid; AC = 1,10-phenanthroline/phen) systems was pursued, leading to four new crystalline compounds. All materials were characterized by elemental analysis, UV-Visible, FT-IR, and ESI-MS spectroscopy, cyclic voltammetry, and X-Ray crystallography. Concurrently, the aqueous speciation of the binary Cr(III)-(2-hydroxyethyl iminodiacetic acid) system, complemented by ESI-MS, provided key-details of the species in solution correlating with the solid-state species. The structurally distinct Cr(III) soluble species were subsequently used in an in vitro investigation of their cytotoxic activity in 3T3-L1 fibroblast cultures. Compound 1 exhibited solubility, bioavailability, and atoxicity over a wide concentration range (0.1-100 μΜ) in contrast to 3, which was toxic. The adipogenic potential of 1 was subsequently investigated toward transformation of pre-adipocytes into mature adipocytes. Confirmation of that capacity relied on molecular biological techniques a) involving genes (glucose transporter type 4, peroxisome proliferator-activated receptor gamma, glucokinase, and adiponectin) serving as sensors of the transformation process, b) comparing the Cr(III)-adipogenicity potential to that of insulin, and c) exemplifying the ultimate maturity of adipocytes poised to catabolize glucose. The collective effort points out salient structural features in the coordination sphere of Cr(III) inducing adipogenic transformation relevant to combating hyperglycemia. The multiply targeted mechanistic insight into such a process exemplifies the role of well-defined Cr(III) complex forms as potential insulin-mimetic adipogenic agents in Diabetes mellitus II. Copyright © 2018 Elsevier Inc. All rights reserved.

Investigation of mechanical properties for open cellular structure CoCrMo alloy fabricated by selective laser melting process

NASA Astrophysics Data System (ADS)

Azidin, A.; Taib, Z. A. M.; Harun, W. S. W.; Che Ghani, S. A.; Faisae, M. F.; Omar, M. A.; Ramli, H.

2015-12-01

Orthodontic implants have been a major focus through mechanical and biological performance in advance to fabricate shape of complex anatomical. Designing the part with a complex mechanism is one of the challenging process and addition to achieve the balance and desired mechanical performance brought to the right manufacture technique to fabricate. Metal additive manufacturing (MAM) is brought forward to the newest fabrication technology in this field. In this study, selective laser melting (SLM) process was utilized on a medical grade cobalt-chrome molybdenum (CoCrMo) alloy. The work has focused on mechanical properties of the CoCrMo open cellular structures samples with 60%, 70%, and 80% designed volume porosity that could potentially emulate the properties of human bone. It was observed that hardness values decreased as the soaking time increases except for bottom face. For compression test, 60% designed volume porosity demonstrated highest ultimate compressive strength compared to 70% and 80%.

Wide-Field CCD Photometry around Nine Open Clusters

NASA Astrophysics Data System (ADS)

Sharma, Saurabh; Pandey, A. K.; Ogura, K.; Mito, H.; Tarusawa, K.; Sagar, R.

2006-10-01

In this paper we study the evolution of the core and corona of nine open clusters using the projected radial density profiles derived from homogeneous CCD photometric data obtained with the 105 cm Kiso Schmidt telescope. The age and galactocentric distance of the target clusters vary from 16 to 2000 Myr and 9 to 10.8 kpc, respectively. Barring Be 62, which is a young open cluster, other clusters show a uniform reddening across the cluster region. The reddening in Be 62 varies from E(B-V)min=0.70 mag to E(B-V)max=1.00 mag. The coronae of six of the clusters in the present sample are found to be elongated; however, on the basis of the present sample it is not possible to establish any correlation between the age and shape of the core. The elongated core in the case of the young cluster Be 62 may reflect the initial conditions in the parental molecular cloud. The other results of the present study are as follows: (1) Core radius rc and corona size rcn/cluster radius rcl are linearly correlated. (2) The rc, rcn, and rcl are linearly correlated with the number of stars in that region. (3) In the age range 10-1000 Myr, the core and corona shrink with age. (4) We find that in the galactocentric distance range 9-10 kpc, the core and corona/cluster extent of the clusters increase with the galactocentric distance.

A Ruler Protein in a Complex for Antiviral Defense Determines the Length of Small Interfering CRISPR RNAs

PubMed Central

Hatoum-Aslan, Asma; Samai, Poulami; Maniv, Inbal; Jiang, Wenyan; Marraffini, Luciano A.

2013-01-01

Small RNAs undergo maturation events that precisely determine the length and structure required for their function. CRISPRs (clustered regularly interspaced short palindromic repeats) encode small RNAs (crRNAs) that together with CRISPR-associated (cas) genes constitute a sequence-specific prokaryotic immune system for anti-viral and anti-plasmid defense. crRNAs are subject to multiple processing events during their biogenesis, and little is known about the mechanism of the final maturation step. We show that in the Staphylococcus epidermidis type III CRISPR-Cas system, mature crRNAs are measured in a Cas10·Csm ribonucleoprotein complex to yield discrete lengths that differ by 6-nucleotide increments. We looked for mutants that impact this crRNA size pattern and found that an alanine substitution of a conserved aspartate residue of Csm3 eliminates the 6-nucleotide increments in the length of crRNAs. In vitro, recombinant Csm3 binds RNA molecules at multiple sites, producing gel-shift patterns that suggest that each protein binds 6 nucleotides of substrate. In vivo, changes in the levels of Csm3 modulate the crRNA size distribution without disrupting the 6-nucleotide periodicity. Our data support a model in which multiple Csm3 molecules within the Cas10·Csm complex bind the crRNA with a 6-nucleotide periodicity to function as a ruler that measures the extent of crRNA maturation. PMID:23935102

DIRECT N-BODY MODELING OF THE OLD OPEN CLUSTER NGC 188: A DETAILED COMPARISON OF THEORETICAL AND OBSERVED BINARY STAR AND BLUE STRAGGLER POPULATIONS

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

Geller, Aaron M.; Hurley, Jarrod R.; Mathieu, Robert D., E-mail: a-geller@northwestern.edu, E-mail: mathieu@astro.wisc.edu, E-mail: jhurley@astro.swin.edu.au

2013-01-01

Following on from a recently completed radial-velocity survey of the old (7 Gyr) open cluster NGC 188 in which we studied in detail the solar-type hard binaries and blue stragglers of the cluster, here we investigate the dynamical evolution of NGC 188 through a sophisticated N-body model. Importantly, we employ the observed binary properties of the young (180 Myr) open cluster M35, where possible, to guide our choices for parameters of the initial binary population. We apply pre-main-sequence tidal circularization and a substantial increase to the main-sequence tidal circularization rate, both of which are necessary to match the observed tidalmore » circularization periods in the literature, including that of NGC 188. At 7 Gyr the main-sequence solar-type hard-binary population in the model matches that of NGC 188 in both binary frequency and distributions of orbital parameters. This agreement between the model and observations is in a large part due to the similarities between the NGC 188 and M35 solar-type binaries. Indeed, among the 7 Gyr main-sequence binaries in the model, only those with P {approx}> 1000 days begin to show potentially observable evidence for modifications by dynamical encounters, even after 7 Gyr of evolution within the star cluster. This emphasizes the importance of defining accurate initial conditions for star cluster models, which we propose is best accomplished through comparisons with observations of young open clusters like M35. Furthermore, this finding suggests that observations of the present-day binaries in even old open clusters can provide valuable information on their primordial binary populations. However, despite the model's success at matching the observed solar-type main-sequence population, the model underproduces blue stragglers and produces an overabundance of long-period circular main-sequence-white-dwarf binaries as compared with the true cluster. We explore several potential solutions to the paucity of blue stragglers and conclude that the model dramatically underproduces blue stragglers through mass-transfer processes. We suggest that common-envelope evolution may have been incorrectly imposed on the progenitors of the spurious long-period circular main-sequence-white-dwarf binaries, which perhaps instead should have gone through stable mass transfer to create blue stragglers, thereby bringing both the number and binary frequency of the blue straggler population in the model into agreement with the true blue stragglers in NGC 188. Thus, improvements in the physics of mass transfer and common-envelope evolution employed in the model may in fact solve both discrepancies with the observations. This project highlights the unique accessibility of open clusters to both comprehensive observational surveys and full-scale N-body simulations, both of which have only recently matured sufficiently to enable such a project, and underscores the importance of open clusters to the study of star cluster dynamics.« less

Behavior of an improved Zr fuel cladding with oxidation resistant coating under loss-of-coolant accident conditions

NASA Astrophysics Data System (ADS)

Park, Dong Jun; Kim, Hyun Gil; Jung, Yang Il; Park, Jung Hwan; Yang, Jae Ho; Koo, Yang Hyun

2016-12-01

This study investigates protective coatings for improving the high temperature oxidation resistance of Zr fuel claddings for light water nuclear reactors. FeCrAl alloy and Cr layers were deposited onto Zr plates and tubes using cold spraying. For the FeCrAl/Zr system, a Mo layer was introduced between the FeCrAl coating and the Zr matrix to prevent inter-diffusion at high temperatures. Both the FeCrAl and Cr coatings improved the oxidation resistance compared to that of the uncoated Zr alloy when exposed to a steam environment at 1200 °C. The ballooning behavior and mechanical properties of the coated cladding samples were studied under simulated loss-of-coolant accident conditions. The coated samples showed higher burst temperatures, lower circumferential strain, and smaller rupture openings compared to the uncoated Zr. Although 4-point bend tests of the coated samples showed a small increase in the maximum load, ring compression tests of a sectioned sample showed increased ductility.

[Application of local Moran's I and GIS to identify hotspots of Ni, Cr of vegetable soils in high-incidence area of liver cancer from the Pearl River Delta, South China].

PubMed

Li, Yong; Zhou, Yong-Zhang; Zhang, Cheng-Bo; Dou, Lei; Du, Hai-Yan; Lin, Xiao-Ming; Fan, Rui; Du, Min; He, Xiang

2010-06-01

The index of local Moran's I is a useful tool for identifying hotspots of soil Ni and Cr, and for classifying them into spatial clusters and spatial outliers. To identify hotspots of vegetable soils Ni and Cr in high-incidence area of liver cancer, Shunde area of Foshan City, Pearl River Delta Economic Zone, 208 topsoil samples were collected from vegetable fields to measure the contents of nickel (Ni) and chromium (Cr). The results showed that the mean concentrations of two heavy metals Ni, Cr were 33.21 mg/kg, 80.84 mg/kg, respectively, Which were 130%, 60% higher than their soil background values of Guangdong Province, respectively. Generally, Ni is partly accumulated in soil but the accumulation of Cr is not obvious at all. The local Moran's I of Ni and Cr was calculated using 3 000, 6 000, 9 000 m as distance bands, respectively. The hotspots of Ni and Cr elements in soils were identified by local Moran's I which computed based on 6 000 m; "individual hotspots" are in the north which were affected by anthropogenic factors; "regional hotspots" are in the south which were controlled by parent materials. Moreover, the distributions of "regional hotspots" of Ni, Cr are the same as that of the highest mortality rate of liver cancer, this consistence could come up with a research direction that could reveal environmental etiologic factors of liver cancer.

Precipitation of coherent Ni{sub 2}(Cr, W) superlattice in an Ni–Cr–W superalloy

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

Gao, Xiangyu; Hu, Rui, E-mail: rhu@nwpu.edu.cn; Zhang, Tiebang

2016-01-15

It is demonstrated that a nanometer-sized Ni{sub 2}(Cr, W) superlattice with a Pt{sub 2}Mo-type structure can precipitate in an Ni–Cr–W alloy by means of a simple aging treatment at 550 °C. The dark-field image of short-range order domains has been found for the first time experimentally. The mechanism of short-range order to long-range order transformation has been revealed based on transmission electron microscopy result and static concentration waves theory and found to be continuous ordering. The randomness of the transformation of static concentration waves leads to equiprobable occurrence of the different variants. The transformation of short-range order to long-range ordermore » gives rise to the Pt{sub 2}Mo-type Ni{sub 2}(Cr, W) superlattice. The interfaces between Ni{sub 2}(Cr, W) and Ni-based matrix and the different variants of Ni{sub 2}(Cr, W) have been investigated by high resolution transmission electron microscopy. The results reveal that the interfaces between Ni{sub 2}(Cr, W) and surrounding matrix are coherent at the atomic scale. - Highlights: • The DF image of SRO cluster has been found for the first time experimentally. • The transformation of SRO to LRO gives rise to the Pt{sub 2}Mo-type Ni{sub 2}(Cr, W). • Variants of Ni{sub 2}(Cr, W) occur equiprobably. • The interfaces between Ni{sub 2}(Cr, W) and matrix are coherent at the atomic scale.« less

Rotation periods of open-cluster stars, 3

NASA Technical Reports Server (NTRS)

Prosser, Charles F.; Shetrone, Matthew D.; Dasgupta, Amil; Backman, Dana E.; Laaksonen, Bentley D.; Baker, Shawn W.; Marschall, Laurence A.; Whitney, Barbara A.; Kuijken, Konrad; Stauffer, John R.

1995-01-01

We present the results from a photometric monitoring program of 15 open cluster stars and one weak-lined T Tauri star during late 1993/early 1994. Several show rotators which are members of the Alpha Persei, Pleiades, and Hyades open clusters have been monitored and period estimates derived. Using all available Pleiades stars with photometric periods together with current X-ray flux measurements, we illustrate the X-ray activity/rotation relation among Pleiades late-G/K dwarfs. The data show a clear break in the rotation-activity relation around P approximately 6-7 days -- in general accordance with previous results using more heterogeneous samples of G/K stars.

Mass-losing red giants in open clusters

NASA Technical Reports Server (NTRS)

Jura, M.

1987-01-01

Mass-losing stars in open clusters with main-sequence turn-offs at intermediate mass have been searched for by using the IRAS data base. The absence of many strong 60 micron sources in open clusters implies that intermediate-mass stars lose much of their mass during an intense wind phase of rather short duration. For stars of about seven solar masses, this phase, if it exists at all, lasts for not much more than 100,000 yr. For stars of about four solar masses, the intense wind phase appears to last considerably less than 10 million yr; it may well last for less than a million yr.

Phosphorus vacancy cluster model for phosphorus diffusion gettering of metals in Si

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

Chen, Renyu; Trzynadlowski, Bart; Dunham, Scott T.

2014-02-07

In this work, we develop models for the gettering of metals in silicon by high phosphorus concentration. We first performed ab initio calculations to determine favorable configurations of complexes involving phosphorus and transition metals (Fe, Cu, Cr, Ni, Ti, Mo, and W). Our ab initio calculations found that the P{sub 4}V cluster, a vacancy surrounded by 4 nearest-neighbor phosphorus atoms, which is the most favorable inactive P species in heavily doped Si, strongly binds metals such as Cu, Cr, Ni, and Fe. Based on the calculated binding energies, we build continuum models to describe the P deactivation and Fe getteringmore » processes with model parameters calibrated against experimental data. In contrast to previous models assuming metal-P{sub 1}V or metal-P{sub 2}V as the gettered species, the binding of metals to P{sub 4}V satisfactorily explains the experimentally observed strong gettering behavior at high phosphorus concentrations.« less

Capabilities to improve corrosion resistance of fuel claddings by using powerful laser and plasma sources

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

Borisov, V. M., E-mail: borisov@triniti.ru; Trofimov, V. N.; Sapozhkov, A. Yu.

2016-12-15

The treatment conditions of fuel claddings of the E110 alloy by using powerful UV or IR laser radiation, which lead to the increase in the corrosion resistance at the high-temperature (T = 1100°C) oxidation simulating a loss-of-coolant accident, are determined. The possibility of the complete suppression of corrosion under these conditions by using pulsed laser deposition of a Cr layer is demonstrated. The behavior of protective coatings of Al, Al{sub 2}O{sub 3}, and Cr planted on steel EP823 by pulsed laser deposition, which is planned to be used in the BREST-OD-300, is studied. The methods of the almost complete suppressionmore » of corrosion in liquid lead to the temperature of 720°C are shown.« less

Twinning-mediated work hardening and texture evolution in CrCoFeMnNi high entropy alloys at cryogenic temperature

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

Liu, T. K.; Wu, Z.; Stoica, A. D.

The cryogenic plastic deformation of CrCoFeMnNi high entropy alloy is characterized by three distinct stages based on the change of the work hardening rate. Microstructure and bulk texture at different strain levels were studied by electron backscatter diffraction (EBSD) and neutron diffraction. Our findings indicate that the deformation twins led to the constant work hardening rate at Stage II and resulted in the appearance of <115 >//TA texture component, while the dislocation slip was involved all though the entire plastic deformation. As a result, the twinning-mediated tensile plastic deformation at cryogenic temperature finally induced the strong {111}- < 112 >more » texture component and minor {001} < 110 > texture component accompanied with twinning-induced {115}< 552 > texture component.« less

Twinning-mediated work hardening and texture evolution in CrCoFeMnNi high entropy alloys at cryogenic temperature

DOE PAGES

Liu, T. K.; Wu, Z.; Stoica, A. D.; ...

2017-06-17

The cryogenic plastic deformation of CrCoFeMnNi high entropy alloy is characterized by three distinct stages based on the change of the work hardening rate. Microstructure and bulk texture at different strain levels were studied by electron backscatter diffraction (EBSD) and neutron diffraction. Our findings indicate that the deformation twins led to the constant work hardening rate at Stage II and resulted in the appearance of <115 >//TA texture component, while the dislocation slip was involved all though the entire plastic deformation. As a result, the twinning-mediated tensile plastic deformation at cryogenic temperature finally induced the strong {111}- < 112 >more » texture component and minor {001} < 110 > texture component accompanied with twinning-induced {115}< 552 > texture component.« less

TOSCA-based orchestration of complex clusters at the IaaS level

NASA Astrophysics Data System (ADS)

Caballer, M.; Donvito, G.; Moltó, G.; Rocha, R.; Velten, M.

2017-10-01

This paper describes the adoption and extension of the TOSCA standard by the INDIGO-DataCloud project for the definition and deployment of complex computing clusters together with the required support in both OpenStack and OpenNebula, carried out in close collaboration with industry partners such as IBM. Two examples of these clusters are described in this paper, the definition of an elastic computing cluster to support the Galaxy bioinformatics application where the nodes are dynamically added and removed from the cluster to adapt to the workload, and the definition of an scalable Apache Mesos cluster for the execution of batch jobs and support for long-running services. The coupling of TOSCA with Ansible Roles to perform automated installation has resulted in the definition of high-level, deterministic templates to provision complex computing clusters across different Cloud sites.

Astrophysical parameters of open star clusters using 2MASS JHKs data

NASA Astrophysics Data System (ADS)

Durgapal, Alok; Bisht, Devendra; Yadav, Ramakant Singh

2018-04-01

In the present analysis we have estimated the fundamental parameters of two poorly studied open star clusters, namely Teutsch 61 and Czernik 3, using 2MASS JHKs data. We have used the color-magnitude and colour-colour diagrams to determine their fundamental parameters.

Dissolved heavy metal concentrations of the Kralkızı, Dicle and Batman dam reservoirs in the Tigris River basin, Turkey.

PubMed

Varol, Memet

2013-10-01

Water samples were collected at monthly intervals during 1 year of monitoring from Kralkızı, Dicle and Batman dam reservoirs in the Tigris River basin to assess the concentrations of dissolved heavy metals and to determine their spatial and seasonal variations. The results indicated that dissolved heavy metal concentrations in the reservoirs were very low, reflecting the natural background levels. The lowest total metal concentrations in the three dam reservoirs were detected at sampling sites close to the dam wall. However, the highest total concentrations were observed at sites, which are located at the entrance of the streams to the reservoirs. Fe, Cr and Ni were the most abundant elements in the reservoirs, whereas Cd and As were the less abundant. The mean concentrations of dissolved metals in the dam reservoirs never exceeded the maximum permitted concentrations established by EC (European Community), WHO and USEPA drinking water quality guidelines. All heavy metals showed significant seasonal variations. As, Cd, Cr, Cu, Fe, Ni and Pb displayed higher values in the dry season, while higher values for Zn in the wet season. Cluster analysis grouped all ten sampling sites into three clusters. Clusters 1 and 2, and cluster 3 corresponded to relatively low polluted and moderate polluted regions, respectively. PCA/FA demonstrated the dissolved metals in the dam reservoirs controlled by natural sources. Copyright © 2013 Elsevier Ltd. All rights reserved.

Extraction of heavy metals characteristics of the 2011 Tohoku tsunami deposits using multiple classification analysis.

PubMed

Nakamura, Kengo; Kuwatani, Tatsu; Kawabe, Yoshishige; Komai, Takeshi

2016-02-01

Tsunami deposits accumulated on the Tohoku coastal area in Japan due to the impact of the Tohoku-oki earthquake. In the study reported in this paper, we applied principal component analysis (PCA) and cluster analysis (CA) to determine the concentrations of heavy metals in tsunami deposits that had been diluted with water or digested using 1 M HCl. The results suggest that the environmental risk is relatively low, evidenced by the following geometric mean concentrations: Pb, 16 mg kg(-1) and 0.003 ml L(-1); As, 1.8 mg kg(-1) and 0.004 ml L(-1); and Cd, 0.17 mg kg(-1) and 0.0001 ml L(-1). CA was performed after outliers were excluded using PCA. The analysis grouped the concentrations of heavy metals for leaching in water and acid. For the acid case, the first cluster contained Ni, Fe, Cd, Cu, Al, Cr, Zn, and Mn; while the second contained Pb, Sb, As, and Mo. For water, the first cluster contained Ni, Fe, Al, and Cr; and the second cluster contained Mo, Sb, As, Cu, Zn, Pb, and Mn. Statistical analysis revealed that the typical toxic elements, As, Pb, and Cd have steady correlations for acid leaching but are relatively sparse for water leaching. Pb and As from the tsunami deposits seemed to reveal a kind of redox elution mechanism using 1 M HCl. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Uniform deposition of size-selected clusters using Lissajous scanning

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

Beniya, Atsushi; Watanabe, Yoshihide, E-mail: e0827@mosk.tytlabs.co.jp; Hirata, Hirohito

2016-05-15

Size-selected clusters can be deposited on the surface using size-selected cluster ion beams. However, because of the cross-sectional intensity distribution of the ion beam, it is difficult to define the coverage of the deposited clusters. The aggregation probability of the cluster depends on coverage, whereas cluster size on the surface depends on the position, despite the size-selected clusters are deposited. It is crucial, therefore, to deposit clusters uniformly on the surface. In this study, size-selected clusters were deposited uniformly on surfaces by scanning the cluster ions in the form of Lissajous pattern. Two sets of deflector electrodes set in orthogonalmore » directions were placed in front of the sample surface. Triangular waves were applied to the electrodes with an irrational frequency ratio to ensure that the ion trajectory filled the sample surface. The advantages of this method are simplicity and low cost of setup compared with raster scanning method. The authors further investigated CO adsorption on size-selected Pt{sub n} (n = 7, 15, 20) clusters uniformly deposited on the Al{sub 2}O{sub 3}/NiAl(110) surface and demonstrated the importance of uniform deposition.« less

Corrosion Behavior and Durability of Low-Alloy Steel Rebars in Marine Environment

NASA Astrophysics Data System (ADS)

Liu, Ming; Cheng, Xuequn; Li, Xiaogang; Yue, Pan; Li, Jun

2016-11-01

The corrosion resistance of Cr-modified low-alloy steels and HRB400 carbon steel was estimated using the open-circuit potential, potentiodynamic polarization, electrochemical impedance spectroscopic, and weight loss methods in simulated concrete pore solution. Results show that Cr-modified steels exhibit a higher corrosion resistance with a higher critical chloride level (CTL), lower corrosion current density, and higher impedance than carbon steel. The CTL of the steels significantly reduces with increasing temperature. Weight loss measurement shows that the Cr-modified steels exhibit low corrosion rates and small corrosion pitting. The primary constituents of the corrosion scales are Fe2O3, Fe3O4, β-FeOOH, γ-FeOOH, and α-FeOOH. A large amount of α-FeOOH could be detected in the Cr-modified steel corrosion products. Moreover, the Cr-modified steels demonstrate a higher durability than HRB400 carbon steel.

Thermodynamic description of multicomponent nickel-base superalloys containing aluminum, chromium, ruthenium and platinum: A computational thermodynamic approach coupled with experiments

NASA Astrophysics Data System (ADS)

Zhu, Jun

Ru and Pt are candidate additional component for improving the high temperature properties of Ni-base superalloys. A thermodynamic description of the Ni-Al-Cr-Ru-Pt system, serving as an essential knowledge base for better alloy design and processing control, was developed in the present study by means of thermodynamic modeling coupled with experimental investigations of phase equilibria. To deal with the order/disorder transition occurring in the Ni-base superalloys, a physical sound model, Cluster/Site Approximation (CSA) was used to describe the fcc phases. The CSA offers computational advantages, without loss of accuracy, over the Cluster Variation Method (CVM) in the calculation of multicomponent phase diagrams. It has been successfully applied to fcc phases in calculating technologically important Ni-Al-Cr phase diagrams. Our effort in this study focused on the two key ternary systems: Ni-Al-Ru and Ni-Al-Pt. The CSA calculated Ni-Al-Ru ternary phase diagrams are in good agreement with the experimental results in the literature and from the current study. A thermodynamic description of quaternary Ni-Al-Cr-Ru was obtained based on the descriptions of the lower order systems and the calculated results agree with experimental data available in literature and in the current study. The Ni-Al-Pt system was thermodynamically modeled based on the limited experimental data available in the literature and obtained from the current study. With the help of the preliminary description, a number of alloy compositions were selected for further investigation. The information obtained was used to improve the current modeling. A thermodynamic description of the Ni-Al-Cr-Pt quaternary was then obtained via extrapolation from its constituent lower order systems. The thermodynamic description for Ni-base superalloy containing Al, Cr, Ru and Pt was obtained via extrapolation. It is believed to be reliable and useful to guide the alloy design and further experimental investigation.

Near-infrared absorption in symmetric squarylium and croconate dyes: a comparative study using symmetry-adapted cluster-configuration interaction methods.

PubMed

Prabhakar, Ch; Yesudas, K; Krishna Chaitanya, G; Sitha, Sanyasi; Bhanuprakash, K; Rao, V Jayathirtha

2005-09-29

Symmetric croconate (CR) and squarylium dyes (SQ) are well-known near-infrared (NIR) dyes and, in general, are considered to be donor-acceptor-donor type molecules. It is established in the literature that CR dyes absorb in a longer wavelength region than the corresponding SQ dyes. This has been attributed to the CR ring being a better acceptor than the SQ ring. Thus increasing the donor capacity should lead to a bathochromic shift in both SQ and CR. On the other hand, some experiments reported in the literature have revealed that increasing the conjugation in the donor part of the SQ molecule leads first to red shift, which upon a further increase of the conjugation changes to a blue shift. Hence, to understand the role of the central ring and the substitutions in the absorption of these dyes, we carried out high-level symmetry-adapted cluster-configuration interaction (SAC-CI) calculations of some substituted SQ and CR dyes and compare the absorption energy with the existing experimental data. We found that there is very good agreement. We also carried out SAC-CI calculations of some smaller model molecules, which contain the main oxyallyl substructure. We varied the geometry (angle) of the oxyallyl subgroup and the substitution in these model molecules to establish a correlation with the bathochromic shift. We found that the charge transfer is very small and does not play the key role in the red shift, but on the other hand, the perturbation of the HOMO-LUMO gap (HLG) from both the geometry and substitution seems to be responsible for this shift. We suggest as a design principle that increasing the donor capacity of the groups may not help in the red shift, but introducing groups which perturb the HLG and decrease it without changing the MO character should lead to a larger bathochromic shift.

Construction and application of Red5 cluster based on OpenStack

NASA Astrophysics Data System (ADS)

Wang, Jiaqing; Song, Jianxin

2017-08-01

With the application and development of cloud computing technology in various fields, the resource utilization rate of the data center has been improved obviously, and the system based on cloud computing platform has also improved the expansibility and stability. In the traditional way, Red5 cluster resource utilization is low and the system stability is poor. This paper uses cloud computing to efficiently calculate the resource allocation ability, and builds a Red5 server cluster based on OpenStack. Multimedia applications can be published to the Red5 cloud server cluster. The system achieves the flexible construction of computing resources, but also greatly improves the stability of the cluster and service efficiency.

Search for Pulsating Stars in the Open Cluster NGC 1502

NASA Astrophysics Data System (ADS)

Stęślicki, M.

2006-04-01

We present results of a variability search in the field of the young open cluster NGC 1502. We confirm that a beta Cephei suspect WEBDA 26 is indeed pulsating with a period of 0.09612 d and semi-amplitude of about 3 mmag in V. A new VI light curve of the bright eclipsing binary and cluster member SZ Cam was obtained. In addition, we found two new variable stars. One is an interesting eclipsing binary showing total eclipses, which can be used to derive the distance to the cluster once radial velocities of the components will be obtained.