Identifying structural damage with ground penetrating radar

CSIR Research Space (South Africa)

Van Schoor, Abraham M

2008-07-01

Full Text Available Ground penetrating radar (GPR) and electrical resistance tomography (ERT) surveys were conducted in an urban environment in an attempt to identify the cause of severe structural damage to a historically significant residential property...

Structure, magnetic properties, polarized neutron diffraction, and theoretical study of a copper(II) cubane.

Science.gov (United States)

Aronica, Christophe; Chumakov, Yurii; Jeanneau, Erwann; Luneau, Dominique; Neugebauer, Petr; Barra, Anne-Laure; Gillon, Béatrice; Goujon, Antoine; Cousson, Alain; Tercero, Javier; Ruiz, Eliseo

2008-01-01

The paper reports the synthesis, X-ray and neutron diffraction crystal structures, magnetic properties, high field-high frequency EPR (HF-EPR), spin density and theoretical description of the tetranuclear CuII complex [Cu4L4] with cubane-like structure (LH2=1,1,1-trifluoro-7-hydroxy-4-methyl-5-aza-hept-3-en-2-one). The simulation of the magnetic behavior gives a predominant ferromagnetic interaction J1 (+30.5 cm(-1)) and a weak antiferromagnetic interaction J2 (-5.5 cm(-1)), which correspond to short and long Cu-Cu distances, respectively, as evidence from the crystal structure [see formulate in text]. It is in agreement with DFT calculations and with the saturation magnetization value of an S=2 ground spin state. HF-EPR measurements at low temperatures (5 to 30 K) provide evidence for a negative axial zero-field splitting parameter D (-0.25+/-0.01 cm(-1)) plus a small rhombic term E (0.025+/-0.001 cm(-1), E/D = 0.1). The experimental spin distribution from polarized neutron diffraction is mainly located in the basal plane of the CuII ion with a distortion of yz-type for one CuII ion. Delocalization on the ligand (L) is observed but to a smaller extent than expected from DFT calculations.

Structural Fluctuation and Thermophysical Properties of Molten II-VI Compounds

Science.gov (United States)

2003-01-01

The objectives of the project is to conduct ground-based experimental and theoretical research on the structural fluctuations and thermophysical properties of molten II-VI compounds to enhance the basic understanding of the existing flight experiments in microgravity materials science programs and to study the fundamental heterophase fluctuations phenomena in these melts by: 1) Conducting neutron scattering analysis and measuring quantitatively the relevant thermophysical properties of the II-VI melts such as viscosity, electrical conductivity, thermal diffusivity and density as well as the relaxation characteristics of these properties to advance the understanding of the structural properties and the relaxation phenomena in these melts and 2) Performing theoretical analyses on the melt systems to interpret the experimental results. All the facilities required for the experimental measurements have been procured, installed and tested. A relaxation phenomenon, which shows a slow drift of the measured thermal conductivity toward the equilibrium value after cooling of the sample, was observed for the first time. An apparatus based on the transient torque induced by a rotating magnetic field has been developed to determine the viscosity and electrical conductivity of semiconducting liquids. Viscosity measurements on molten tellurium showed similar relaxation behavior as the measured diffusivity. Neutron scattering experiments were performed on the HgTe and HgZnTe melts and the results on pair distribution showed better resolution than previous reported.

Coordination behavior of tetraaza [N4] ligand towards Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes: Synthesis, spectroscopic characterization and anticancer activity

Science.gov (United States)

El-Boraey, Hanaa A.

2012-11-01

Novel eight Co(II), Ni(II), Cu(II), Cu(I) and Pd(II) complexes with [N4] ligand (L) i.e. 2-amino-N-{2-[(2-aminobenzoyl)amino]ethyl}benzamide have been synthesized and structurally characterized by elemental analysis, spectral, thermal (TG/DTG), magnetic, and molar conductivity measurements. On the basis of IR, mass, electronic and EPR spectral studies an octahedral geometry has been proposed for Co(II), Ni(II) complexes and Cu(II) chloride complex, square-pyramidal for Cu(I) bromide complex. For Cu(II) nitrate complex (6), Pd(II) complex (8) square planar geometry was proposed. The EPR data of Cu(II) complexes in powdered form indicate dx2-y2 ground state of Cu(II) ion. The antitumor activity of the synthesized ligand and some selected metal complexes has been studied. The palladium(II) complex (8) was found to display cytotoxicity (IC50 = 25.6 and 41 μM) against human breast cancer cell line MCF-7 and human hepatocarcinoma HEPG2 cell line.

Development of Hybrid Product Breakdown Structure for NASA Ground Systems

Science.gov (United States)

Monaghan, Mark W.; Henry, Robert J.

2013-01-01

The Product Breakdown Structure is traditionally a method of identification of the products of a project in a tree structure. It is a tool used to assess, plan, document, and display the equipment requirements for a project. It is part of a product based planning technique, and attempts to break down all components of a project in as much detail as possible, so that nothing is overlooked. The PBS for ground systems at the Kennedy Space Center is being developed to encompass the traditional requirements including the alignment of facility, systems, and components to the organizational hierarchy. The Ground Operations Product Breakdown Structure is a hybrid in nature in that some aspects of a work breakdown structure will be incorporated and merged with the Architecture Concept of Operations, Master Subsystem List, customer interface, and assigned management responsibility. The Ground Operations Product Breakdown Structure needs to be able to identify the flexibility of support differing customers (internal and external) usage of ground support equipment within the Kennedy Space Center launch and processing complex. The development of the Product Breakdown Structure is an iterative activity Initially documenting the organization hierarchy structure and relationships. The Product Breakdown Structure identifies the linkage between the customer program requirements, allocation of system resources, development of design goals, and identification logistics products. As the Product Breakdown Structure progresses the incorporation of the results of requirement planning for the customer occurs identifying facility needs and systems. The mature Product Breakdown Structure is baselined with a hierarchical drawing, the Product Breakdown Structure database, and an associated document identifying the verification of the data through the life cycle of the program/product line. This paper will document, demonstrate, and identify key aspects of the life cycle of a Hybrid Product

Contrast in edge vegetation structure modifies the predation risk of natural ground nests in an agricultural landscape.

Directory of Open Access Journals (Sweden)

Nicole A Schneider

Full Text Available Nest predation risk generally increases nearer forest-field edges in agricultural landscapes. However, few studies test whether differences in edge contrast (i.e. hard versus soft edges based on vegetation structure and height affect edge-related predation patterns and if such patterns are related to changes in nest conspicuousness between incubation and nestling feeding. Using data on 923 nesting attempts we analyse factors influencing nest predation risk at different edge types in an agricultural landscape of a ground-cavity breeding bird species, the Northern Wheatear (Oenanthe oenanthe. As for many other bird species, nest predation is a major determinant of reproductive success in this migratory passerine. Nest predation risk was higher closer to woodland and crop field edges, but only when these were hard edges in terms of ground vegetation structure (clear contrast between tall vs short ground vegetation. No such edge effect was observed at soft edges where adjacent habitats had tall ground vegetation (crop, ungrazed grassland. This edge effect on nest predation risk was evident during the incubation stage but not the nestling feeding stage. Since wheatear nests are depredated by ground-living animals our results demonstrate: (i that edge effects depend on edge contrast, (ii that edge-related nest predation patterns vary across the breeding period probably resulting from changes in parental activity at the nest between the incubation and nestling feeding stage. Edge effects should be put in the context of the nest predator community as illustrated by the elevated nest predation risk at hard but not soft habitat edges when an edge is defined in terms of ground vegetation. These results thus can potentially explain previously observed variations in edge-related nest predation risk.

Spiral chain structure of high pressure selenium-II' and sulfur-II from powder x-ray diffraction

International Nuclear Information System (INIS)

Fujihisa, Hiroshi; Yamawaki, Hiroshi; Sakashita, Mami; Yamada, Takahiro; Honda, Kazumasa; Akahama, Yuichi; Kawamura, Haruki; Le Bihan, Tristan

2004-01-01

The structure of high pressure phases, selenium-II ' (Se-II ' ) and sulfur-II (S-II), for α-Se 8 (monoclinic Se-I) and α-S 8 (orthorhombic S-I) was studied by powder x-ray diffraction experiments. Se-II ' and S-II were found to be isostructural and to belong to the tetragonal space group I4 1 /acd, which is made up of 16 atoms in the unit cell. The structure consisted of unique spiral chains with both 4 1 and 4 3 screws. The results confirmed that the structure sequence of the pressure-induced phase transitions for the group VIb elements depended on the initial molecular form. The chemical bonds of the phases are also discussed from the interatomic distances that were obtained

Structural analysis of group II chitinase (ChtII) catalysis completes the puzzle of chitin hydrolysis in insects.

Science.gov (United States)

Chen, Wei; Qu, Mingbo; Zhou, Yong; Yang, Qing

2018-02-23

Chitin is a linear homopolymer of N -acetyl-β-d-glucosamines and a major structural component of insect cuticles. Chitin hydrolysis involves glycoside hydrolase family 18 (GH18) chitinases. In insects, chitin hydrolysis is essential for periodic shedding of the old cuticle ecdysis and proceeds via a pathway different from that in the well studied bacterial chitinolytic system. Group II chitinase (ChtII) is a widespread chitinolytic enzyme in insects and contains the greatest number of catalytic domains and chitin-binding domains among chitinases. In Lepidopterans, ChtII and two other chitinases, ChtI and Chi-h, are essential for chitin hydrolysis. Although ChtI and Chi-h have been well studied, the role of ChtII remains elusive. Here, we investigated the structure and enzymology of Of ChtII, a ChtII derived from the insect pest Ostrinia furnacalis We present the crystal structures of two catalytically active domains of Of ChtII, Of ChtII-C1 and Of ChtII-C2, both in unliganded form and complexed with chitooligosaccharide substrates. We found that Of ChtII-C1 and Of ChtII-C2 both possess long, deep substrate-binding clefts with endochitinase activities. Of ChtII exhibited structural characteristics within the substrate-binding cleft similar to those in Of Chi-h and Of ChtI. However, Of ChtII lacked structural elements favoring substrate binding beyond the active sites, including an extra wall structure present in Of Chi-h. Nevertheless, the numerous domains in Of ChtII may compensate for this difference; a truncation containing one catalytic domain and three chitin-binding modules ( Of ChtII-B4C1) displayed activity toward insoluble polymeric substrates that was higher than those of Of Chi-h and Of ChtI. Our observations provide the last piece of the puzzle of chitin hydrolysis in insects. © 2018 by The American Society for Biochemistry and Molecular Biology, Inc.

Grounding of SNS Accelerator Structure

CERN Document Server

Holik, Paul S

2005-01-01

Description of site general grounding network. RF grounding network enhancement underneath the klystron gallery building. Grounding network of the Ring Systems with ground breaks in the Ring Tunnel. Grounding and Bonding of R&D accelerator equipment. SNS Building lightning protection.

Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra

Energy Technology Data Exchange (ETDEWEB)

Keates, Adam C. [School of Chemistry, University of Southampton, Southampton, Hampshire SO17 1B,. UK (United Kingdom); Wang, Qianlong [Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY (United Kingdom); Weller, Mark T., E-mail: m.t.weller@bath.ac.uk [Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY (United Kingdom)

2014-02-15

Single crystal and bulk polycrystalline forms of K{sub 2}MP{sub 2}O{sub 7} (M=Fe(II), Cu(II)) have been synthesised and their structures determined from single crystal X-ray diffraction data. Both compounds crystallize in the tetragonal system, space group P-42{sub 1}m. Their structures are formed from infinite sheets of linked oxopolyhedra of the stoichiometry [MP{sub 2}O{sub 7}]{sup 2−} with potassium cations situated between the layers. The MO{sub 4} tetrahedra share oxygen atoms with [P{sub 2}O{sub 7}]{sup 4−} diphosphate groups and the potassium ions have KO{sub 8} square prismatic geometry. In both compounds the M(II) centre has an unusual strongly flattened, tetrahedral coordination to oxygen, as a result of the Jahn–Teller (JT) effect for the high spin d{sup 6} Fe(II) and p-orbital mixing or a second order JT effect for d{sup 9} Cu(II) centres in four fold coordination. The uncommon transition metal ion environments found in these materials are reflected in their optical absorption spectra and magnetism data. - Graphical abstract: The structures of the tetragonal polymorphs of K{sub 2}MP{sub 2}O{sub 7}, M=Cu(II), Fe(II), consist of infinite sheets of stoichiometry [MP{sub 2}O{sub 7}]{sup 2−}, formed from linked pyrophosphate groups and MO{sub 4} tetrahedra, separated by potassium ions. In both compounds the unusual tetrahedral coordination of the M(II) centre is strongly flattened as a result of Jahn–Teller (JT) effects for high spin, d{sup 6} Fe(II) and p-orbital mixing and second-order JT effects for d{sup 9} Cu(II). Display Omitted - Highlights: • Tetrahedral copper and iron(II) coordinated by oxygen. • New layered phosphate structure. • Jahn–Teller and d{sup 10} distorted coordinations.

Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra

International Nuclear Information System (INIS)

Keates, Adam C.; Wang, Qianlong; Weller, Mark T.

2014-01-01

Single crystal and bulk polycrystalline forms of K 2 MP 2 O 7 (M=Fe(II), Cu(II)) have been synthesised and their structures determined from single crystal X-ray diffraction data. Both compounds crystallize in the tetragonal system, space group P-42 1 m. Their structures are formed from infinite sheets of linked oxopolyhedra of the stoichiometry [MP 2 O 7 ] 2− with potassium cations situated between the layers. The MO 4 tetrahedra share oxygen atoms with [P 2 O 7 ] 4− diphosphate groups and the potassium ions have KO 8 square prismatic geometry. In both compounds the M(II) centre has an unusual strongly flattened, tetrahedral coordination to oxygen, as a result of the Jahn–Teller (JT) effect for the high spin d 6 Fe(II) and p-orbital mixing or a second order JT effect for d 9 Cu(II) centres in four fold coordination. The uncommon transition metal ion environments found in these materials are reflected in their optical absorption spectra and magnetism data. - Graphical abstract: The structures of the tetragonal polymorphs of K 2 MP 2 O 7 , M=Cu(II), Fe(II), consist of infinite sheets of stoichiometry [MP 2 O 7 ] 2− , formed from linked pyrophosphate groups and MO 4 tetrahedra, separated by potassium ions. In both compounds the unusual tetrahedral coordination of the M(II) centre is strongly flattened as a result of Jahn–Teller (JT) effects for high spin, d 6 Fe(II) and p-orbital mixing and second-order JT effects for d 9 Cu(II). Display Omitted - Highlights: • Tetrahedral copper and iron(II) coordinated by oxygen. • New layered phosphate structure. • Jahn–Teller and d 10 distorted coordinations

Near-ground tornado-like vortex structure resolved by particle image velocimetry (PIV)

Energy Technology Data Exchange (ETDEWEB)

Zhang, Wei [Iowa State University, Aerospace Engineering Department, Ames, IA (United States); University of Minnesota, Saint Anthony Falls Laboratory, Minneapolis, MN (United States); Sarkar, Partha P. [Iowa State University, Aerospace Engineering Department, Ames, IA (United States)

2012-02-15

The near-ground flow structure of tornadoes is of utmost interest because it determines how and to what extent civil structures could get damaged in tornado events. We simulated tornado-like vortex flow at the swirl ratios of S = 0.03-0.3 (vane angle {theta}{sub v} = 15 -60 ), using a laboratory tornado simulator and investigated the near-ground-vortex structure by particle imaging velocimetry. Complicated near-ground flow was measured in two orthogonal views: horizontal planes at various elevations (z = 11, 26 and 53 mm above the ground) and the meridian plane. We observed two distinct vortex structures: a single-celled vortex at the lowest swirl ratio (S = 0.03, {theta}{sub v} = 15 ) and multiple suction vortices rotating around the primary vortex (two-celled vortex) at higher swirl ratios (S = 0.1-0.3, {theta}{sub v} = 30 -60 ). We quantified the effects of vortex wandering on the mean flow and found that vortex wandering was important and should be taken into account in the low swirl ratio case. The tangential velocity, as the dominant velocity component, has the peak value about three times that of the maximum radial velocity regardless of the swirl ratio. The maximum velocity variance is about twice at the high swirl ratio ({theta}{sub v} = 45 ) that at the low swirl ratio ({theta}{sub v} = 15 ), which is contributed significantly by the multiple small-scale secondary vortices. Here, the results show that not only the intensified mean flow but greatly enhanced turbulence occurs near the surface in the tornado-like vortex flow. The intensified mean flow and enhanced turbulence at the ground level, correlated with the ground-vortex interaction, may cause dramatic damage of the civil structures in tornadoes. This work provides detailed characterization of the tornado-like vortex structure, which has not been fully revealed in previous field studies and laboratory simulations. It would be helpful in improving the understanding of the interaction between the

Structural properties of MHC class II ligands, implications for the prediction of MHC class II epitopes.

Directory of Open Access Journals (Sweden)

Kasper Winther Jørgensen

2010-12-01

Full Text Available Major Histocompatibility class II (MHC-II molecules sample peptides from the extracellular space allowing the immune system to detect the presence of foreign microbes from this compartment. Prediction of MHC class II ligands is complicated by the open binding cleft of the MHC class II molecule, allowing binding of peptides extending out of the binding groove. Furthermore, only a few HLA-DR alleles have been characterized with a sufficient number of peptides (100-200 peptides per allele to derive accurate description of their binding motif. Little work has been performed characterizing structural properties of MHC class II ligands. Here, we perform one such large-scale analysis. A large set of SYFPEITHI MHC class II ligands covering more than 20 different HLA-DR molecules was analyzed in terms of their secondary structure and surface exposure characteristics in the context of the native structure of the corresponding source protein. We demonstrated that MHC class II ligands are significantly more exposed and have significantly more coil content than other peptides in the same protein with similar predicted binding affinity. We next exploited this observation to derive an improved prediction method for MHC class II ligands by integrating prediction of MHC- peptide binding with prediction of surface exposure and protein secondary structure. This combined prediction method was shown to significantly outperform the state-of-the-art MHC class II peptide binding prediction method when used to identify MHC class II ligands. We also tried to integrate N- and O-glycosylation in our prediction methods but this additional information was found not to improve prediction performance. In summary, these findings strongly suggest that local structural properties influence antigen processing and/or the accessibility of peptides to the MHC class II molecule.

Ground state structure of U2Mo: static and lattice dynamics study

International Nuclear Information System (INIS)

Mukherjee, D.; Sahoo, B.D.; Joshi, K.D.; Kaushik, T.C.

2016-01-01

According to experimental reports, the ground state stable structure of U 2 Mo is tetragonal. However, various theoretical studies performed in past do not get tetragonal phase as the stable structure at ambient conditions. Therefore, the ground state structure of U 2 Mo is still unresolved. In an attempt to understand the ground state properties of this system, we have carried out first principle electronic band structure calculations. The structural stability analysis carried out using evolutionary structure search algorithm in conjunction with ab-inito method shows that a hexagonal structure (space group P6/mmm) is the lowest enthalpy structure at ambient condition and remains stable upto 200 GPa. The elastic and lattice dynamical stability further supports the stability of this phase at ambient condition. Further, using the 0 K calculations in conjunction with finite temperature corrections, we have derived the isotherm and shock adiabat (Hugoniot) of this material. Various equilibrium properties such as ambient pressure volume, bulk modulus, pressure derivative of bulk modulus etc. are derived from equation of state. (author)

Generation of Earthquake Ground Motion Considering Local Site Effects and Soil-Structure Interaction Analysis of Ancient Structures

Energy Technology Data Exchange (ETDEWEB)

Kim, Jae Kwan; Lee, J. S.; Yang, T. S.; Cho, J. R.; R, H. [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

1997-09-01

In order to establish a correct correlation between them, mechanical characteristics of the ancient structures need to be investigated. Since sedimentary basins are preferred dwelling sites in ancient times, it is necessary to perform SSI analysis to derive correct correlation between the damage and ground motion intensity. Contents of Project are as follows: (1) Generation of stochastic earthquake ground motion considering source mechanism and site effects. (2) Analysis of seismic response of sedimentary basin. (3) Soil-structure interaction analysis of ancient structures (4) Investigation of dynamic response characteristics of ancient structure considering soil-structure interaction effects. A procedure is presented for generation of stochastic earthquake ground motion considering source mechanism and site effects. The simulation method proposed by Boore is used to generate the outcropping rock motion. The free field motion at the soil site is obtained by a convolution analysis. And for the study of wood structures, a nonlinear SDOF model is developed. The effects of soil-structure interaction on the behavior of the wood structures are found to be very minor. But the response can be significantly affected due to the intensity and frequency contents of the input motion. 13 refs., 6 tabs., 31 figs. (author)

The TETRA-II Experiment to Observe Terrestrial Gamma Flashes at Ground Level - Preliminary Results

Science.gov (United States)

Cherry, M. L.; Adams, C.; Al-Nussirat, S.; Bai, S.; Banadaki, Y.; Bitzer, P. M.; Hoffmann, J.; Khosravi, E.; Legault, M.; Orang, M.; Pleshinger, D. J.; Rodriguez, R.; Smith, D.; Trepanier, J. C.; Sunda-Meya, A.; Zimmer, N.

2017-12-01

An upgraded version of the TGF and Energetic Thunderstorm Rooftop Array (TETRA-II) consists of an array of BGO scintillators to detect bursts of gamma rays from thunderstorms at ground level in four separate locations: the campus of Louisiana State University in Baton Rouge, Louisiana; the campus of the University of Puerto Rico at Utuado, Puerto Rico; the Centro Nacional de Metrologia de Panama (CENAMEP) in Panama City, Panama; and the Severe Weather Institute and Radar & Lightning Laboratories in Huntsville, Alabama. The original TETRA-I array of NaI scintillators at Louisiana State University detected 37 millisecond-scale bursts of gamma rays at energies 50 keV-2 MeV associated with nearby (brief description of the TETRA-I observations, a description of TETRA-II, and preliminary results of the first events observed by TETRA-II will be presented including frequency and time history of events, spectral information, and correlation with local radar and radio data.

Earthquake Ground Motion Measures for Seismic Response Evaluation of Structures

Energy Technology Data Exchange (ETDEWEB)

Cho, In-Kil; Ahn, Seong-Moon; Choun, Young-Sun; Seo, Jeong-Moon

2007-03-15

This study used the assessment results of failure criteria - base shear, story drift, top acceleration and top displacement - for a PSC containment building subjected to 30 sets of near-fault ground motions to evaluate the earthquake ground motion intensity measures. Seven intensity measures, peak ground acceleration(PGA), peak ground velocity(PGV), spectral acceleration(Sa), velocity(Sv), spectrum intensity for acceleration(SIa), velocity(SIv) and displacement(SId), were used to represent alternative ground motion. The regression analyses of the failure criteria for a PSC containment building were carried out to evaluate a proper intensity measure by using two regression models and seven ground motion parameters. The regression analysis results demonstrate the correlation coefficients of the failure criteria in terms of the candidate IM. From the results, spectral acceleration(Sa) is estimated as the best parameter for a evaluation of the structural safety for a seismic PSA.

The impact of forest structure and spatial scale on the relationship between ground plot above ground biomass and GEDI lidar waveforms

Science.gov (United States)

Armston, J.; Marselis, S.; Hancock, S.; Duncanson, L.; Tang, H.; Kellner, J. R.; Calders, K.; Disney, M.; Dubayah, R.

2017-12-01

The NASA Global Ecosystem Dynamics Investigation (GEDI) will place a multi-beam waveform lidar instrument on the International Space Station (ISS) to provide measurements of forest vertical structure globally. These measurements of structure will underpin empirical modelling of above ground biomass density (AGBD) at the scale of individual GEDI lidar footprints (25m diameter). The GEDI pre-launch calibration strategy for footprint level models relies on linking AGBD estimates from ground plots with GEDI lidar waveforms simulated from coincident discrete return airborne laser scanning data. Currently available ground plot data have variable and often large uncertainty at the spatial resolution of GEDI footprints due to poor colocation, allometric model error, sample size and plot edge effects. The relative importance of these sources of uncertainty partly depends on the quality of ground measurements and region. It is usually difficult to know the magnitude of these uncertainties a priori so a common approach to mitigate their influence on model training is to aggregate ground plot and waveform lidar data to a coarser spatial scale (0.25-1ha). Here we examine the impacts of these principal sources of uncertainty using a 3D simulation approach. Sets of realistic tree models generated from terrestrial laser scanning (TLS) data or parametric modelling matched to tree inventory data were assembled from four contrasting forest plots across tropical rainforest, deciduous temperate forest, and sclerophyll eucalypt woodland sites. These tree models were used to simulate geometrically explicit 3D scenes with variable tree density, size class and spatial distribution. GEDI lidar waveforms are simulated over ground plots within these scenes using monte carlo ray tracing, allowing the impact of varying ground plot and waveform colocation error, forest structure and edge effects on the relationship between ground plot AGBD and GEDI lidar waveforms to be directly assessed. We

Structure of domination and dynamics of activity of ground-beetles in agroecosistems of Derbent area

OpenAIRE

G. M. Nahibasheva; A. A. Bagomaev; R. A. Musaeva

2008-01-01

For the first time for area of research 61 kind of ground-beetles, concerning to 28 sorts and 13 vital  structure of ground-beetles of agroecosistems are studied. New data about structure and character biotopical are obtained distributions, seasonal dynamics of activity of ground-beetles. Phenological change prepotent of ground-beetles ofagroecosistems of Derbent area is revealed.

Structure of domination and dynamics of activity of ground-beetles in agroecosistems of Derbent area

Directory of Open Access Journals (Sweden)

G. M. Nahibasheva

2008-01-01

Full Text Available For the first time for area of research 61 kind of ground-beetles, concerning to 28 sorts and 13 vital  structure of ground-beetles of agroecosistems are studied. New data about structure and character biotopical are obtained distributions, seasonal dynamics of activity of ground-beetles. Phenological change prepotent of ground-beetles ofagroecosistems of Derbent area is revealed.

High precision measurements of hyperfine structure in Tm II, N2+ and Sc II

International Nuclear Information System (INIS)

Mansour, N.B.; Dinneen, T.P.; Young, L.

1988-01-01

We have applied the technique of collinear fast-ion-beam laser spectroscopy to measure the hyperfine structure (hfs) in Sc II, Tm II and N 2 + . Laser induced fluorescence was observed from a 50 keV ion beam which was superimposed with the output of an actively stabilized ring dye laser (rms bandwidth 2 and the excited 3d4p configuration of Sc II and in the 4f 13 6s and 4f 13 5d configurations of the Tm II. The fine and hyperfine structure of N 2 + has been observed in the (0,1) and (1,2) band of B 2 Σ/sub u/ + /minus/X 2 Σ/sub g/ + system. Higher resolution measurements of the metastable 3d 2 configuration in Sc II were also made by laser-rf double resonance. The experimental results will be compared with those obtained by multiconfiguration Hartree-Fock ab-initio calculations. 15 refs., 4 figs., 5 tabs

ERC hazard classification matrices for above ground structures and groundwater and soil remediation activities

International Nuclear Information System (INIS)

Curry, L.R.

1997-01-01

This document provides the status of the preliminary hazard classification (PHC) process for the Environmental Restoration Contractor (ERC) above ground structures and groundwater and soil remediation activities currently underway for planned for fiscal year (FY) 1997. This classification process is based on current US Department of Energy (DOE), Richland Operations Office (RL) guidance for the classification of facilities and activities containing radionuclide and nonradiological hazardous material inventories. The above ground structures presented in the matrices were drawn from the Bechtel Hanford, Inc. (BHI) Decontamination and Decommissioning (D and D) Project Facility List (DOE 1996), which identifies the facilities in the RL-Environmental Restoration baseline contract in 1997. This document contains the following two appendices: (1) Appendix A, which consists of a matrix identifying PHC documents that have been issued for BHI's above ground structures and groundwater and soil remediation activities underway or planned for FY 1997, and (2) Appendix B, which consists of a matrix showing anticipated PHCs for above ground structures, and groundwater and soil remediation activities underway or planned for FY 1997. Appendix B also shows the schedule for finalization of PHCs for above ground structures with an anticipated classification of Nuclear

TFTR grounding scheme and ground-monitor system

International Nuclear Information System (INIS)

Viola, M.

1983-01-01

The Tokamak Fusion Test Reactor (TFTR) grounding system utilizes a single-point ground. It is located directly under the machine, at the basement floor level, and is tied to the building perimeter ground. Wired to this single-point ground, via individual 500 MCM insulated cables, are: the vacuum vessel; four toroidal field coil cases/inner support structure quadrants; umbrella structure halves; the substructure ring girder; radial beams and columns; and the diagnostic systems. Prior to the first machine operation, a ground-loop removal program was initiated. It required insulation of all hangers and supports (within a 35-foot radius of the center of the machine) of the various piping, conduits, cable trays, and ventilation systems. A special ground-monitor system was designed and installed. It actively monitors each of the individual machine grounds to insure that there are no inadvertent ground loops within the machine structure or its ground and that the machine grounds are intact prior to each pulse. The TFTR grounding system has proven to be a very manageable system and one that is easy to maintain

Ground-State Structures of Ice at High-Pressures

OpenAIRE

McMahon, Jeffrey M.

2011-01-01

\\textit{Ab initio} random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies, ice is found to adopt three novel crystal phases. The underlying sub-lattice of O atoms remains similar among them, and the transitions can be characterized by reorganizations of the hydrogen bonds. The symmetric hydrogen bonds of ice X and $Pbcm$ are initially lost as ice transforms to s...

Response of base isolated structure during strong ground motions beyond design earthquakes

International Nuclear Information System (INIS)

Yabana, Shuichi; Ishida, Katsuhiko; Shiojiri, Hiroo

1991-01-01

In Japan, some base isolated structures for fast breeder reactors (FBR) are tried to design. When a base isolated structure are designed, the relative displacement of isolators are generally limited so sa to be remain in linear state of those during design earthquakes. But to estimate safety margin of a base isolated structure, the response of that until the failure must be obtained experimentally to analytically during strong ground motions of beyond design earthquake. The aim of this paper is to investigate the response of a base isolated structure when the stiffness of the isolators hardens and to simulate the response during strong ground motions of beyond design earthquakes. The optimum characteristics of isolators, with which the margin of the structure are increased, are discussed. (author)

Profile structures of TJ-II stellarator plasmas

NARCIS (Netherlands)

Herranz, J.; Pastor, I.; Castejon, F.; de la Luna, E.; Garcia-Cortes, I.; Barth, C. J.; Ascasibar, E.; Sanchez, J.; Tribaldos, V.

2000-01-01

Fine structures are found in the TJ-II stellarator electron temperature and density profiles, when they are measured using a high spatial resolution Thomson scattering system. These structures consist of peaks and valleys superimposed to a smooth average. Some irregularities remain in an ensemble

Structural instability and ground state of the U_2Mo compound

International Nuclear Information System (INIS)

Losada, E.L.; Garcés, J.E.

2015-01-01

This work reports on the structural instability at T = 0 °K of the U_2Mo compound in the C11_b structure under the distortion related to the C_6_6 elastic constant. The electronic properties of U_2Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11_b structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D_6 distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U_2Mo due to the D_6 distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U_2Mo compound is not the assumed C11_b structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U_2Mo compound.

Characterization of the dynamic response of structures to damaging pulse-type near-fault ground motions

International Nuclear Information System (INIS)

Mollaioli, F.; Bruno, S.; Decanini, L.D.; Panza, G.F.

2006-12-01

The presence of long-period pulses in near-fault records can be considered as an important factor in causing damage due to the transmission of large amounts of energy to the structures in a very short time. Under such circumstances high-energy dissipation demands usually occur, which are likely to concentrate in the weakest parts of the structure. The maximum nonlinear response or collapse often happens at the onset of directivity pulse and fling, and this time is not predicted by the natural structural vibration periods. Nonlinear response leading to collapse may in most cases occur only during one large amplitude pulse of displacement. From the study of the response of both linear and nonlinear SDOF systems, the effects of these distinctive long-period pulses have been assessed by means of: (i) synthetic parameters directly derived from the strong ground motion records, and (ii) elastic and inelastic spectra of both conventional and energy-based seismic demand parameters. SDOF systems have first been subjected to records obtained during recent earthquakes in near-fault areas in forward directivity conditions. The results indicate that long duration pulses strongly affect the inelastic response, with very high energy and displacement demands which may be several times larger than the limit values specified by the majority of codes. In addition, from the recognition of the fundamental importance of velocity and energy-based parameters in the characterization of near-fault signals, idealized pulses equivalent to near-fault signals have been defined on account of such parameters. Equivalent pulses are capable of representing the salient observed features of the response to near-fault recorded ground motions. (author)

Ground state correlations and structure of odd spherical nuclei

International Nuclear Information System (INIS)

Mishev, S.; Voronov, V. V.

2006-01-01

It is well known that the Pauli principle plays a substantial role at low energies because the phonon operators are not ideal boson operators. Calculating the exact commutators between the quasiparticle and phonon operators one can take into account the Pauli principle corrections. Besides the ground state correlations due to the quasiparticle interaction in the ground state influence the single particle fragmentation as well. In this paper, we generalize the basic QPM equations to account for both mentioned effects. As an illustration of our approach, calculations on the structure of the low-lying states in "1"3"1Ba have been performed.

A Design of a Terahertz Microstrip Bandstop Filter with Defected Ground Structure

Directory of Open Access Journals (Sweden)

Arjun Kumar

2013-01-01

Full Text Available A planar microstrip terahertz (THz bandstop filter has been proposed with defected ground structure with high insertion loss (S21 in a stopband of −25.8 dB at 1.436 THz. The parameters of the circuit model have been extracted from the EM simulation results. A dielectric substrate of Benzocyclobutene (BCB is used to realize a compact bandstop filter using modified hexagonal dumbbell-shape defected ground structure (DB-DGS. In this paper, a defected ground structure topology is used in a λ/4, 50 Ω microstrip line at THz frequency range for compactness. No article has been reported on the microstrip line at terahertz frequency regime using DGS topology. The proposed filter can be used for sensing and detection in biomedical instruments in DNA testing. All the simulations/cosimulations are carried out using a full-wave EM simulator CST V.9 Microwave Studio, HFSS V.10, and Agilent Design Suite (ADS.

Fine-structure excitation of Fe II and Fe III due to collisions with electrons

Science.gov (United States)

Wan, Yier; Qi, Yueying; Favreau, Connor; Loch, Stuart; Stancil, P.; Ballance, Connor; McLaughlin, Brendan

2018-06-01

Atomic data of iron peak elements are of great importance in astronomical observations. Among all the ionization stages of iron, Fe II and Fe III are of particular importance because of the high cosmic abundance, relatively low ionization potential and complex open d-shell atomic structure. Fe II and Fe III emission are observed from nearly all classes of astronomical objects over a wide spectral range from the infrared to the ultraviolet. To meaningfully interpret these spectra, astronomers have to employ highly complex modeling codes with reliable collision data to simulate the astrophysical observations. The major aim of this work is to provide reliable atomic data for diagnostics. We present new collision strengths and effective collisions for electron impact excitation of Fe II and Fe III for the forbidden transitions among the fine-structure levels of the ground terms. A very fine energy mesh is used for the collision strengths and the effective collision strengths are calculated over a wide range of electron temperatures of astrophysical importance (10-2000 K). The configuration interaction state wave functions are generated with a scaled Thomas-Fermi-Dirac-Amaldi (TFDA) potential, while the R-matrix plus intermediate coupling frame transformation (ICFT), Breit-Pauli R-matrix and Dirac R-matrix packages are used to obtain collision strengths. Influences of the different methods and configuration expansions on the collisional data are discussed. Comparison is made with earlier theoretical work and differences are found to occur at the low temperatures considered here.This work was funded by NASA grant NNX15AE47G.

Structure and reactivity of a mononuclear gold(II) complex

Science.gov (United States)

Preiß, Sebastian; Förster, Christoph; Otto, Sven; Bauer, Matthias; Müller, Patrick; Hinderberger, Dariush; Hashemi Haeri, Haleh; Carella, Luca; Heinze, Katja

2017-12-01

Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn-Teller distortion enabled by the relativistically lowered 6s orbital of gold. The reactivity of this gold(II) complex towards dioxygen, nitrosobenzene and acids is discussed. This study provides insight on the ionic radius of gold(II), and allows it to be placed within the homologous series of nd9 Cu/Ag/Au divalent ions and the 5d8/9/10 Pt/Au/Hg 'relativistic' triad in the periodic table.

Modeling of earthquake ground motion in the frequency domain

Science.gov (United States)

Thrainsson, Hjortur

In recent years, the utilization of time histories of earthquake ground motion has grown considerably in the design and analysis of civil structures. It is very unlikely, however, that recordings of earthquake ground motion will be available for all sites and conditions of interest. Hence, there is a need for efficient methods for the simulation and spatial interpolation of earthquake ground motion. In addition to providing estimates of the ground motion at a site using data from adjacent recording stations, spatially interpolated ground motions can also be used in design and analysis of long-span structures, such as bridges and pipelines, where differential movement is important. The objective of this research is to develop a methodology for rapid generation of horizontal earthquake ground motion at any site for a given region, based on readily available source, path and site characteristics, or (sparse) recordings. The research includes two main topics: (i) the simulation of earthquake ground motion at a given site, and (ii) the spatial interpolation of earthquake ground motion. In topic (i), models are developed to simulate acceleration time histories using the inverse discrete Fourier transform. The Fourier phase differences, defined as the difference in phase angle between adjacent frequency components, are simulated conditional on the Fourier amplitude. Uniformly processed recordings from recent California earthquakes are used to validate the simulation models, as well as to develop prediction formulas for the model parameters. The models developed in this research provide rapid simulation of earthquake ground motion over a wide range of magnitudes and distances, but they are not intended to replace more robust geophysical models. In topic (ii), a model is developed in which Fourier amplitudes and Fourier phase angles are interpolated separately. A simple dispersion relationship is included in the phase angle interpolation. The accuracy of the interpolation

Analysis of ground response data at Lotung large-scale soil- structure interaction experiment site

International Nuclear Information System (INIS)

Chang, C.Y.; Mok, C.M.; Power, M.S.

1991-12-01

The Electric Power Research Institute (EPRI), in cooperation with the Taiwan Power Company (TPC), constructed two models (1/4-scale and 1/2-scale) of a nuclear plant containment structure at a site in Lotung (Tang, 1987), a seismically active region in northeast Taiwan. The models were constructed to gather data for the evaluation and validation of soil-structure interaction (SSI) analysis methodologies. Extensive instrumentation was deployed to record both structural and ground responses at the site during earthquakes. The experiment is generally referred to as the Lotung Large-Scale Seismic Test (LSST). As part of the LSST, two downhole arrays were installed at the site to record ground motions at depths as well as at the ground surface. Structural response and ground response have been recorded for a number of earthquakes (i.e. a total of 18 earthquakes in the period of October 1985 through November 1986) at the LSST site since the completion of the installation of the downhole instruments in October 1985. These data include those from earthquakes having magnitudes ranging from M L 4.5 to M L 7.0 and epicentral distances range from 4.7 km to 77.7 km. Peak ground surface accelerations range from 0.03 g to 0.21 g for the horizontal component and from 0.01 g to 0.20 g for the vertical component. The objectives of the study were: (1) to obtain empirical data on variations of earthquake ground motion with depth; (2) to examine field evidence of nonlinear soil response due to earthquake shaking and to determine the degree of soil nonlinearity; (3) to assess the ability of ground response analysis techniques including techniques to approximate nonlinear soil response to estimate ground motions due to earthquake shaking; and (4) to analyze earth pressures recorded beneath the basemat and on the side wall of the 1/4 scale model structure during selected earthquakes

Community structure of grassland ground-dwelling arthropods along increasing soil salinities.

Science.gov (United States)

Pan, Chengchen; Feng, Qi; Liu, Jiliang; Li, Yulin; Li, Yuqiang; Yu, Xiaoya

2018-03-01

Ground-dwelling arthropod communities are influenced by numerous biotic and abiotic factors. Little is known, however, about the relative importance of vegetation structure and abiotic environmental factors on the patterns of ground-dwelling arthropod community across a wide range of soil salinities. Here, a field survey was conducted to assess the driving forces controlling ground-dwelling arthropod community in the salinized grasslands in the Hexi Corridor, Gansu Province, China. The data were analyzed by variance partitioning with canonical correspondence analysis (CCA). We found that vegetation structure and edaphic factors were at least of similar importance to the pattern of the whole ground-dwelling arthropod community. However, when all collected ground-dwelling arthropods were categorized into three trophic guilds (predators, herbivores, and decomposers), as these groups use different food sources, their populations were controlled by different driving forces. Predators and decomposers were mainly determined by biotic factors such as vegetation cover and aboveground plant biomass and herbivores by plant density and vegetation cover. Abiotic factors were also major determinants for the variation occurring in these guilds, with predators strongly affected by soil electrical conductivity (EC) and the content of fine particles (silt + clay, CS), herbivores by soil N:P, EC, and CS, and decomposers by soil EC and organic matter content (SOM). Since plant cover, density, and aboveground biomass can indicate resource availability, which are mainly constrained by soil N:P, EC, CS, and SOM, we consider that the ground-dwelling arthropod community in the salinized grasslands was mainly influenced by resource availability.

Ground-state electronic structure of actinide monocarbides and mononitrides

DEFF Research Database (Denmark)

Petit, Leon; Svane, Axel; Szotek, Z.

2009-01-01

The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of the actinide ions in the actinide monocarbides, AC (A=U,Np,Pu,Am,Cm), and the actinide mononitrides, AN. The electronic structure is characterized by a gradually increa...

Ground state correlations and structure of odd spherical nuclei

International Nuclear Information System (INIS)

Mishev, S.; Voronov, V.V.

2008-01-01

It is well known that the Pauli principle plays a substantial role at low energies because the phonon operators are not ideal boson operators. Calculating the exact commutators between the quasiparticle and phonon operators one can take into account the Pauli principle corrections. Besides, the ground state correlations due to the quasiparticle interaction in the ground state influence the single-particle fragmentation as well. In this paper, we generalize the basic equations of the quasiparticle-phonon nuclear model to account for both effects mentioned. As an illustration of our approach, calculations on the structure of the low-lying states in 133 Ba have been performed

Data structures II essentials

CERN Document Server

Smolarski, Dennis C

2012-01-01

REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Data Structures II includes sets, trees, advanced sorting, elementary graph theory, hashing, memory management and garbage collection, and appendices on recursion vs. iteration, alge

Crystal structures of copper(II) chloride, copper(II) bromide, and copper(II) nitrate complexes with pyridine-2-carbaldehyde thiosemicarbazone

Science.gov (United States)

Chumakov, Yu. M.; Tsapkov, V. I.; Jeanneau, E.; Bairac, N. N.; Bocelli, G.; Poirier, D.; Roy, J.; Gulea, A. P.

2008-09-01

The crystal structures of chloro-(2-formylpyridinethiosemicarbazono)copper dimethyl sulfoxide solvate ( I), bromo-(2-formylpyridinethiosemicarbazono)copper ( II), and (2-formylpyridinethiosemicarbazono)copper(II) nitrate dimethyl sulfoxide solvate ( III) are determined using X-ray diffraction. In the crystals, complexes I and II form centrosymmetric dimers in which the thiosemicarbazone sulfur atom serves as a bridge and occupies the fifth coordination site of the copper atom of the neighboring complex related to the initial complex through the center of symmetry. In both cases, the coordination polyhedron of the complexing ion is a distorted tetragonal bipyramid. Complex III in the crystal structure forms polymer chains in which the copper atom of one complex forms the coordination bond with the thicarbamide nitrogen atom of the neighboring complex. In this structure, the coordination polyhedron of the central atom is an elongated tetragonal bipyramid. It is established that complexes I III at a concentration of 10-5 mol/l selectively inhibit the growth of 60 to 90 percent of the cancer tumor cells of the human myeloid leukemia (HL-60).

Crystal structures of copper(II) chloride, copper(II) bromide, and copper(II) nitrate complexes with pyridine-2-carbaldehyde thiosemicarbazone

International Nuclear Information System (INIS)

Chumakov, Yu. M.; Tsapkov, V. I.; Jeanneau, E.; Bairac, N. N.; Bocelli, G.; Poirier, D.; Roy, J.; Gulea, A. P.

2008-01-01

The crystal structures of chloro-(2-formylpyridinethiosemicarbazono)copper dimethyl sulfoxide solvate (I), bromo-(2-formylpyridinethiosemicarbazono)copper (II), and (2-formylpyridinethiosemicarbazono)copper(II) nitrate dimethyl sulfoxide solvate (III) are determined using X-ray diffraction. In the crystals, complexes I and II form centrosymmetric dimers in which the thiosemicarbazone sulfur atom serves as a bridge and occupies the fifth coordination site of the copper atom of the neighboring complex related to the initial complex through the center of symmetry. In both cases, the coordination polyhedron of the complexing ion is a distorted tetragonal bipyramid. Complex III in the crystal structure forms polymer chains in which the copper atom of one complex forms the coordination bond with the thicarbamide nitrogen atom of the neighboring complex. In this structure, the coordination polyhedron of the central atom is an elongated tetragonal bipyramid. It is established that complexes I-III at a concentration of 10 -5 mol/l selectively inhibit the growth of 60 to 90 percent of the cancer tumor cells of the human myeloid leukemia (HL-60).

Crystal structures of copper(II) chloride, copper(II) bromide, and copper(II) nitrate complexes with pyridine-2-carbaldehyde thiosemicarbazone

Energy Technology Data Exchange (ETDEWEB)

Chumakov, Yu. M., E-mail: chumakov.xray@phys.asm.md [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Tsapkov, V. I. [State University of Moldova (Moldova, Republic of); Jeanneau, E. [Universite Claude Bernard, Laboratoire des Multimateriaux et Interfaces (France); Bairac, N. N. [State University of Moldova (Moldova, Republic of); Bocelli, G. [National Research Council (IMEM-CNR), Institute of Materials for Electronics and Magnetism (Italy); Poirier, D.; Roy, J. [Centre Hospitalier Universitaire de Quebec (CHUQ) (Canada); Gulea, A. P. [State University of Moldova (Moldova, Republic of)

2008-09-15

The crystal structures of chloro-(2-formylpyridinethiosemicarbazono)copper dimethyl sulfoxide solvate (I), bromo-(2-formylpyridinethiosemicarbazono)copper (II), and (2-formylpyridinethiosemicarbazono)copper(II) nitrate dimethyl sulfoxide solvate (III) are determined using X-ray diffraction. In the crystals, complexes I and II form centrosymmetric dimers in which the thiosemicarbazone sulfur atom serves as a bridge and occupies the fifth coordination site of the copper atom of the neighboring complex related to the initial complex through the center of symmetry. In both cases, the coordination polyhedron of the complexing ion is a distorted tetragonal bipyramid. Complex III in the crystal structure forms polymer chains in which the copper atom of one complex forms the coordination bond with the thicarbamide nitrogen atom of the neighboring complex. In this structure, the coordination polyhedron of the central atom is an elongated tetragonal bipyramid. It is established that complexes I-III at a concentration of 10{sup -5} mol/l selectively inhibit the growth of 60 to 90 percent of the cancer tumor cells of the human myeloid leukemia (HL-60).

Complete characterization of the ground-space structure of two-body frustration-free Hamiltonians for qubits

International Nuclear Information System (INIS)

Ji Zhengfeng; Wei Zhaohui; Zeng Bei

2011-01-01

The problem of finding the ground state of a frustration-free Hamiltonian carrying only two-body interactions between qubits is known to be solvable in polynomial time. It is also shown recently that, for any such Hamiltonian, there is always a ground state that is a product of single- or two-qubit states. However, it remains unclear whether the whole ground space is of any succinct structure. Here, we give a complete characterization of the ground space of any two-body frustration-free Hamiltonian of qubits. Namely, it is a span of tree tensor network states of the same tree structure. This characterization allows us to show that the problem of determining the ground-state degeneracy is as hard as, but no harder than, its classical analog.

Structural characterization and antioxidant properties of Cu(II) and Ni(II) complexes derived from dicyandiamide

Science.gov (United States)

Kertmen, Seda Nur; Gonul, Ilyas; Kose, Muhammet

2018-01-01

New Cu(II) and Ni(II) complexes derived from dicyandiamide were synthesized and characterised by spectroscopic and analytical methods. Molecular structures of the complexes were determined by single crystal X-ray diffraction studies. In the complexes, the Cu(II) or Ni(II) ions are four-coordinate with a slight distorted square planar geometry. The ligands (L-nPen and L-iPen) derived from dicyandiamide formed via nucleophilic addition of alcohol solvent molecule in the presence Cu(II) or Ni(II) ions. Complexes were stabilised by intricate array of hydrogen bonding interactions. Antioxidant activity of the complexes was evaluated by DPPH radical scavenging and CUPRAC methods. The complexes exhibit antioxidant activity, however, their activities were much lower than standard antioxidants (Vitamin C and trolox).

Effect of ship structure and size on grounding and collision damage distributions

DEFF Research Database (Denmark)

Pedersen, Preben Terndrup; Zhang, Shengming

2000-01-01

It has been argued that a major shortcoming in the International Maritime Organization (IMO) Interim Guidelines for Approval of Alternative Methods of Design and Construction of Oil Tankers in Collision and Grounding is that grounding and collision damages normalized by the main dimensions...... are expressed in simple expressions involving structural dimensions and the building material of the ships. The study shows that the density distribution for collision and grounding damages normalized by the main dimensions of the ship depends on the size of the ship. A larger ship has a higher probability...

Structural instability and ground state of the U{sub 2}Mo compound

Energy Technology Data Exchange (ETDEWEB)

Losada, E.L., E-mail: losada@cab.cnea.gov.ar [SIM" 3, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina); Garcés, J.E. [Gerencia de Investigación y Aplicaciones Nucleares, Comisión Nacional de Energía Atómica (Argentina)

2015-11-15

This work reports on the structural instability at T = 0 °K of the U{sub 2}Mo compound in the C11{sub b} structure under the distortion related to the C{sub 66} elastic constant. The electronic properties of U{sub 2}Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11{sub b} structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D{sub 6} distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U{sub 2}Mo due to the D{sub 6} distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U{sub 2}Mo compound is not the assumed C11{sub b} structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U{sub 2}Mo compound.

Dissociation behavior of methane--ethane mixed gas hydrate coexisting structures I and II.

Science.gov (United States)

Kida, Masato; Jin, Yusuke; Takahashi, Nobuo; Nagao, Jiro; Narita, Hideo

2010-09-09

Dissociation behavior of methane-ethane mixed gas hydrate coexisting structures I and II at constant temperatures less than 223 K was studied with use of powder X-ray diffraction and solid-state (13)C NMR techniques. The diffraction patterns at temperatures less than 203 K showed both structures I and II simultaneously convert to Ih during the dissociation, but the diffraction pattern at temperatures greater than 208 K showed different dissociation behavior between structures I and II. Although the diffraction peaks from structure II decreased during measurement at constant temperatures greater than 208 K, those from structure I increased at the initial step of dissociation and then disappeared. This anomalous behavior of the methane-ethane mixed gas hydrate coexisting structures I and II was examined by using the (13)C NMR technique. The (13)C NMR spectra revealed that the anomalous behavior results from the formation of ethane-rich structure I. The structure I hydrate formation was associated with the dissociation rate of the initial methane-ethane mixed gas hydrate.

Crystal structure of bis(4-acetylanilinium tetrachloridocobaltate(II

Directory of Open Access Journals (Sweden)

Manickam Thairiyaraja

2015-12-01

Full Text Available The structure of the title salt, (C8H10NO2[CoCl4], is isotypic with the analogous cuprate(II structure. The asymmetric unit contains one 4-acetylanilinium cation and one half of a tetrachloridocobaltate(II anion for which the CoII atom and two Cl− ligands lie on a mirror plane. The Co—Cl distances in the distorted tetrahedral anion range from 2.2519 (6 to 2.2954 (9 Å and the Cl—Co—Cl angles range from 106.53 (2 to 110.81 (4°. In the crystal, cations are self-assembled by intermolecular N—H...O hydrogen-bonding interactions, leading to a C(8 chain motif with the chains running parallel to the b axis. π–π stacking interactions between benzene rings, with a centroid-to-centroid distance of 3.709 Å, are also observed along this direction. The CoCl42− anions are sandwiched between the cationic chains and interact with each other through intermolecular N—H...Cl hydrogen-bonding interactions, forming a three-dimensional network structure.

Harmonic Suppressed Slot Antennas Using Rectangular/Circular Defected Ground Structures

Directory of Open Access Journals (Sweden)

Mohammad Saeid Ghaffarian

2012-01-01

Full Text Available Two wide rectangle-shaped microstrip-fed 2.6-GHz slot antennas using defected ground structures (DGSs with a low design complexity are proposed to achieve wideband harmonic suppression. To accomplish this, two rectangular DGSs (RDGSs in the first antenna and two circular DGSs (CDGSs in the second one with various dimensions are etched into the ground plane, which could have a wideband-stop characteristic. Simulated and measured reflection coefficients indicate that the two proposed structures effectively suppress the second and third harmonics up to 23 dB between 3.5 and 10.5 GHz with a maximum ripple of 2.4 dB. In addition, the radiation patterns and peak gains of the antennas can be suppressed at least 17 dB and 7.1 dBi, respectively, at the third harmonic frequency of 7.86 GHz.

Syntheses, structural characterization and spectroscopic studies of cadmium(II)-metal(II) cyanide complexes with 4-(2-aminoethyl)pyridine

Science.gov (United States)

Karaağaç, Dursun; Kürkçüoğlu, Güneş Süheyla; Şenyel, Mustafa; Hökelek, Tuncer

2017-02-01

Three new cadmium(II)-metal(II) cyanide complexes, [Cd(4aepy)2(H2O)2][Ni(CN)4] (1), [Cd(4aepy)2(H2O)2][Pd(CN)4] (2) and [Cd(4aepy)2(H2O)2][Pt(CN)4] (3) [4aepy = 4-(2-aminoethyl)pyridine], have been synthesized and characterized by elemental, thermal, FT-IR and Raman spectral analyses. The crystal structures of 1 and 2 have been determined by single crystal X-ray diffraction technique, in which they crystallize in the monoclinic system and C2/c space group. The M(II) [M(II) = Ni(II), Pd(II) and Pt(II)] ions are coordinated with the carbon atoms of the four cyanide groups in the square planar geometries and the [M(CN)4]2- ions act as counter ions. The Cd(II) ions display an N4O2 coordination sphere with a distorted octahedral geometry, the nitrogen donors belonging to four molecules of the organic 4aepy that act as unidentate ligands and two oxygen atoms from aqua ligands. 3D supramolecular structures of 1 and 2 were occurred by M⋯π and hydrogen bonding (Nsbnd H⋯N and Osbnd H⋯N) interactions. Vibrational assignments of all the observed bands were given and the spectral properties were also supported the crystal structures of the complexes. A possible decompositions of the complexes were investigated in the temperature range 30-800 °C in the static atmosphere.

First-principles determination of the ground-state structure of Mg(BH4)(2)

DEFF Research Database (Denmark)

Caputo, R.; Tekin, Adem; Sikora, W.

2009-01-01

The ground-state structure of magnesium tetrahydroborate, Mg(BH4)(2), is still under debate. The experimentally and theoretically proposed structures mismatch, and even among the computationally determined structures a disagreement still exists. The main debated question is related to the lattice...

Self-assembled decanuclear Na(I)2Mn(II)4Mn(III)4 complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)4Mn(III)4 unit displaying a large spin ground state and probable SMM behaviour.

Science.gov (United States)

Langley, Stuart K; Chilton, Nicholas F; Moubaraki, Boujemaa; Murray, Keith S

2011-12-07

The synthesis, magnetic characterization and X-ray crystal structures are reported for five new manganese compounds, [Mn(III)(teaH(2))(sal)]·(1/2)H(2)O (1), [Na(I)(2)Mn(II)(4)Mn(III)(4)(teaH)(6)(sal)(4)(N(3))(2)(MeOH)(4)]·6MeOH (2), [Na(I)(2)Mn(II)(4)Mn(III)(4)(teaH)(6)(sal)(4)(N(3))(2)(MeOH)(2)](n)·7MeOH (3), [Na(I)(2)Mn(II)(4)Mn(III)(4)(teaH)(6)(sal)(4)(N(3))(2)(MeOH)(2)](n)·2MeOH·Et(2)O (4) and [K(I)(2)Mn(II)(4)Mn(III)(4)(teaH)(6)(sal)(4)(N(3))(2)(H(2)O)(2)](n)·5MeOH (5). Complex 1 is a mononuclear compound, formed via the reaction of Mn(NO(3))(2)·4H(2)O, triethanolamine (teaH(3)) and salicylic acid (salH(2)) in a basic methanolic solution. Compound 2 is a mixed-valent hetero-metallic cluster made up of a Mn(8)Na(2) decanuclear core and is formed via the reaction of sodium azide (NaN(3)) with 1. Compounds 3-5 are isolated as 1- or 2-D coordination polymers, each containing the decanuclear Mn(8)M(2) (M = Na(+) or K(+)) core building block as the repeating unit. Compound 3 is isolated when 1 is reacted with NaN(3) over a very short reaction time and forms a 1-D coordination polymer. Each unit displays inter-cluster bridges via the O-atoms of teaH(2-) ligands bonding to the sodium ions of an adjacent cluster. Increasing the reaction time appears to drive the formation of 4 which forms 2-D polymeric sheets and is a packing polymorph of 3. The addition of KMnO(4) and NaN(3) to 1 resulted in compound 5, which also forms a 1-D coordination polymer of the decanuclear core unit. The 1-D chains are now linked via inter-cluster potassium and salicylate bridges. Solid state DC susceptibility measurements were performed on compounds 1-5. The data for 1 are as expected for an S = 2 Mn(III) ion, with the isothermal M vs. H data being fitted by matrix diagonalization methods to give values of g and the axial (D) and rhombic (E) zero field splitting parameters of 2.02, -2.70 cm(-1) and 0.36 cm(-1) respectively. The data for 2-5, each with an identical Mn(II)(4)Mn(III)(4

Inelastic response evaluation of steel frame structure subjected to near-fault ground motions

Energy Technology Data Exchange (ETDEWEB)

Choi, In Kil; Kim, Hyung Kyu; Choun, Young Sun; Seo, Jeong Moon

2004-04-01

A survey on some of the Quaternary fault segments near the Korean nuclear power plants is ongoing. It is likely that these faults would be identified as active ones. If the faults are confirmed as active ones, it will be necessary to reevaluate the seismic safety of nuclear power plants located near the fault. This study was performed to acquire overall knowledge of near-fault ground motions and evaluate inealstic response characteristics of near-fault ground motions. Although Korean peninsular is not located in the strong earthquake region, it is necessary to evaluate seismic safety of NPP for the earthquakes occurred in near-fault area with characteristics different from that of general far-fault earthquakes in order to improve seismic safety of existing NPP structures and equipment. As a result, for the seismic safety evaluation of NPP structures and equipment considering near-fault effects, this report will give many valuable information. In order to improve seismic safety of NPP structures and equipment against near-fault ground motions, it is necessary to consider inelastic response characteristics of near-fault ground motions in current design code. Also in Korea where these studies are immature yet, in the future more works of near-fault earthquakes must be accomplished.

Computer simulation and implementation of defected ground structure on a microstrip antenna

Science.gov (United States)

Adrian, H.; Rambe, A. H.; Suherman

2018-03-01

Defected Ground Structure (DGS) is a method reducing etching area on antenna ground to form desirable antenna’s ground field. This paper reports the method impact on microstrip antennas working on 1800 and 2400 MHz. These frequencies are important as many radio network applications such mobile phones and wireless devices working on these channels. The assessments were performed by simulating and fabricating the evaluated antennas. Both simulation data and implementation measurements show that DGS successfully improves antenna performances by increasing bandwidth up to 19%, reducing return loss up to 109% and increasing gain up to 33%.

Sequestration of chelated copper by structural Fe(II): Reductive decomplexation and transformation of Cu{sup II}-EDTA

Energy Technology Data Exchange (ETDEWEB)

He, Hongping [State Key Laboratory of Pollution Control and Resources Reuse, School of Environmental Science & Engineering, Tongji University, Shanghai 200092 (China); Wu, Deli, E-mail: wudeli@tongji.edu.cn [State Key Laboratory of Pollution Control and Resources Reuse, School of Environmental Science & Engineering, Tongji University, Shanghai 200092 (China); Zhao, Linghui [State Key Laboratory of Pollution Control and Resources Reuse, School of Environmental Science & Engineering, Tongji University, Shanghai 200092 (China); Luo, Cong [School of Civil and Environmental Engineering, Georgia Institute of Technology, GA 30332 (United States); Dai, Chaomeng; Zhang, Yalei [State Key Laboratory of Pollution Control and Resources Reuse, School of Environmental Science & Engineering, Tongji University, Shanghai 200092 (China)

2016-05-15

Highlights: • Structural Fe(II) was found to reveal high sequestration potential in various chelated copper. • Chelated copper was reduced to Cu(0) and Cu{sub 2}O by =Fe(II), whcih was oxidized to Fe{sub 2}O{sub 3}·H{sub 2}O. • Both electron transfer and surface =Fe(II) were found to be crucial during chelated copper reduction. • The indispensible role of reductive decomplexation was identified in chelated copper sequestration. - Abstract: Chelated coppers, such as Cu{sup II}-EDTA, are characteristically refractory and difficult to break down because of their high stability and solubility. Cu{sup II}–EDTA sequestration by structural Fe(II) (=Fe(II)) was investigated intensively in this study. Up to 101.21 mgCu(II)/gFe(II) was obtained by =Fe(II) in chelated copper sequestration under near neutral pH condition (pH 7.70). The mechanism of Cu{sup II}-EDTA sequestration by =Fe(II) was concluded as follows: 3Cu{sup II}–EDTA + 7=Fe(II) + 9H{sub 2}O → Cu(0) ↓ + Cu{sub 2}O ↓ (the major product) + 2Fe{sub 2}O{sub 3}·H{sub 2}O ↓ + 3Fe{sup II}–EDTA +14H{sup +} Novel results strongly indicate that Cu{sup II} reductive transformation induced by surface =Fe(II) was mainly responsible for chelated copper sequestration. Cu(0) generation was initially facilitated, and subsequent reduction of Cu(II) into Cu(I) was closely combined with the gradual increase of ORP (Oxidation-Reduction Potential). Cu-containing products were inherently stable, but Cu{sub 2}O would be reoxidized to Cu(II) with extra-aeration, resulting in the release of copper, which was beneficial to Cu reclamation. Concentration diminution of Cu{sup II}–EDTA within the electric double layer and competitive adsorption were responsible for the negative effects of Ca{sup 2+}, Mg{sup 2+}. By generating vivianite, PO{sub 4}{sup 3−} was found to decrease surface =Fe(II) content. This study is among the first ones to identify the indispensible role of reductive decomplexation in chelated copper

Structure and Chromosomal Organization of Yeast Genes Regulated by Topoisomerase II.

Science.gov (United States)

Joshi, Ricky S; Nikolaou, Christoforos; Roca, Joaquim

2018-01-03

Cellular DNA topoisomerases (topo I and topo II) are highly conserved enzymes that regulate the topology of DNA during normal genome transactions, such as DNA transcription and replication. In budding yeast, topo I is dispensable whereas topo II is essential, suggesting fundamental and exclusive roles for topo II, which might include the functions of the topo IIa and topo IIb isoforms found in mammalian cells. In this review, we discuss major findings of the structure and chromosomal organization of genes regulated by topo II in budding yeast. Experimental data was derived from short (10 min) and long term (120 min) responses to topo II inactivation in top-2 ts mutants. First, we discuss how short term responses reveal a subset of yeast genes that are regulated by topo II depending on their promoter architecture. These short term responses also uncovered topo II regulation of transcription across multi-gene clusters, plausibly by common DNA topology management. Finally, we examine the effects of deactivated topo II on the elongation of RNA transcripts. Each study provides an insight into the particular chromatin structure that interacts with the activity of topo II. These findings are of notable clinical interest as numerous anti-cancer therapies interfere with topo II activity.

Wavelengths, energy levels and hyperfine structure of Mn II and Sc II.

Science.gov (United States)

Nave, Gillian; Pickering, Juliet C.; Townley-Smith, Keeley I. M.; Hala, .

2015-08-01

For many decades, the Atomic Spectroscopy Groups at the National Institute of Standards and Technology (NIST) and Imperial College London (ICL) have measured atomic data of astronomical interest. Our spectrometers include Fourier transform (FT) spectrometers at NIST and ICL covering the region 1350 Å to 5.5 μm and a 10.7-m grating spectrometer at NIST covering wavelengths from 300 - 5000 Å. Sources for these spectra include high-current continuous and pulsed hollow cathode (HCL) lamps, Penning discharges, and sliding spark discharges. Recent work has focused on the measurement and analysis of wavelengths, energy levels, and hyperfine structure (HFS) constants for iron-group elements. The analysis of FT spectra of Cr I, Mn I, and Mn II is being led by ICL and is described in a companion poster [1]. Current work being led by NIST includes the analysis of HFS in Mn II, analysis of Mn II in the vacuum ultraviolet, and a comprehensive analysis of Sc II.Comprehensive HFS constants for Mn II are needed for the interpretation of stellar spectra and incorrect abundances may be obtained when HFS is omitted. Holt et al. [2] have measured HFS constants for 59 levels of Mn II using laser spectroscopy. We used FT spectra of Mn/Ni and Mn/Cu HCLs covering wavelength ranges from 1350 Å to 5.4 μm to confirm 26 of the A constants of Holt et al. and obtain values for roughly 40 additional levels. We aim to obtain HFS constants for the majority of lines showing significant HFS that are observed in chemically-peculiar stars.Spectra of Sc HCLs have been recorded from 1800 - 6700 Å using a vacuum ultraviolet FT spectrometer at NIST. Additional measurements to cover wavelengths above 6700 Å and below 1800 Å are in progress. The spectra are being analyzed by NIST and Alighar Muslim University, India in order to derive improved wavelengths, energy levels, and hyperfine structure parameters.This work was partially supported by NASA, the STFC and PPARC (UK), the Royal Society of the UK

Flow Quality Analysis of Shape Morphing Structures for Hypersonic Ground Testing Applications

Data.gov (United States)

National Aeronautics and Space Administration — Background: Shape morphing, high temperature, ceramic structural materials are now becoming available and can revolutionize ground testing by providing dynamic flow...

The SPARC water vapor assessment II: intercomparison of satellite and ground-based microwave measurements

Science.gov (United States)

Nedoluha, Gerald E.; Kiefer, Michael; Lossow, Stefan; Gomez, R. Michael; Kämpfer, Niklaus; Lainer, Martin; Forkman, Peter; Christensen, Ole Martin; Oh, Jung Jin; Hartogh, Paul; Anderson, John; Bramstedt, Klaus; Dinelli, Bianca M.; Garcia-Comas, Maya; Hervig, Mark; Murtagh, Donal; Raspollini, Piera; Read, William G.; Rosenlof, Karen; Stiller, Gabriele P.; Walker, Kaley A.

2017-12-01

As part of the second SPARC (Stratosphere-troposphere Processes And their Role in Climate) water vapor assessment (WAVAS-II), we present measurements taken from or coincident with seven sites from which ground-based microwave instruments measure water vapor in the middle atmosphere. Six of the ground-based instruments are part of the Network for the Detection of Atmospheric Composition Change (NDACC) and provide datasets that can be used for drift and trend assessment. We compare measurements from these ground-based instruments with satellite datasets that have provided retrievals of water vapor in the lower mesosphere over extended periods since 1996. We first compare biases between the satellite and ground-based instruments from the upper stratosphere to the upper mesosphere. We then show a number of time series comparisons at 0.46 hPa, a level that is sensitive to changes in H2O and CH4 entering the stratosphere but, because almost all CH4 has been oxidized, is relatively insensitive to dynamical variations. Interannual variations and drifts are investigated with respect to both the Aura Microwave Limb Sounder (MLS; from 2004 onwards) and each instrument's climatological mean. We find that the variation in the interannual difference in the mean H2O measured by any two instruments is typically ˜ 1%. Most of the datasets start in or after 2004 and show annual increases in H2O of 0-1 % yr-1. In particular, MLS shows a trend of between 0.5 % yr-1 and 0.7 % yr-1 at the comparison sites. However, the two longest measurement datasets used here, with measurements back to 1996, show much smaller trends of +0.1 % yr-1 (at Mauna Loa, Hawaii) and -0.1 % yr-1 (at Lauder, New Zealand).

The SPARC water vapor assessment II: intercomparison of satellite and ground-based microwave measurements

Directory of Open Access Journals (Sweden)

G. E. Nedoluha

2017-12-01

Full Text Available As part of the second SPARC (Stratosphere–troposphere Processes And their Role in Climate water vapor assessment (WAVAS-II, we present measurements taken from or coincident with seven sites from which ground-based microwave instruments measure water vapor in the middle atmosphere. Six of the ground-based instruments are part of the Network for the Detection of Atmospheric Composition Change (NDACC and provide datasets that can be used for drift and trend assessment. We compare measurements from these ground-based instruments with satellite datasets that have provided retrievals of water vapor in the lower mesosphere over extended periods since 1996. We first compare biases between the satellite and ground-based instruments from the upper stratosphere to the upper mesosphere. We then show a number of time series comparisons at 0.46 hPa, a level that is sensitive to changes in H2O and CH4 entering the stratosphere but, because almost all CH4 has been oxidized, is relatively insensitive to dynamical variations. Interannual variations and drifts are investigated with respect to both the Aura Microwave Limb Sounder (MLS; from 2004 onwards and each instrument's climatological mean. We find that the variation in the interannual difference in the mean H2O measured by any two instruments is typically  ∼  1%. Most of the datasets start in or after 2004 and show annual increases in H2O of 0–1 % yr−1. In particular, MLS shows a trend of between 0.5 % yr−1 and 0.7 % yr−1 at the comparison sites. However, the two longest measurement datasets used here, with measurements back to 1996, show much smaller trends of +0.1 % yr−1 (at Mauna Loa, Hawaii and −0.1 % yr−1 (at Lauder, New Zealand.

The effects of structural setting on the azimuthal velocities of blast induced ground motion in perlite

Energy Technology Data Exchange (ETDEWEB)

Beattie, Susan G. [New Mexico Inst. of Mining and Technology, Socorro, NM (United States)

1995-02-01

A series of small scale explosive tests were performed during the spring of 1994 at a perlite mine located near Socorro, NM. The tests were designed to investigate the azimuthal or directional relationship between small scale geologic structures such as joints and the propagation of explosively induced ground motion. Three shots were initiated within a single borehole located at ground zero (gz) at depths varying from the deepest at 83 m (272 ft) to the shallowest at 10 m (32 ft). The intermediate shot was initiated at a depth of 63 m (208 ft). An array of three component velocity and acceleration transducers were placed in two concentric rings entirely surrounding the single shot hole at 150 and 300 azimuths as measured from ground zero. Data from the transducers was then used to determine the average propagation velocity of the blast vibration through the rock mass at the various azimuths. The rock mass was mapped to determine the prominent joint orientations (strike and dip) and the average propagation velocities were correlated with this geologic information. The data from these experiments shows that there is a correlation between the orientation of prominent joints and the average velocity of ground motion. It is theorized that this relationship is due to the relative path the ground wave follows when encountering a joint or structure within the rock mass. The more prominent structures allow the wave to follow along their strike thereby forming a sort of channel or path of least resistance and in turn increasing the propagation velocity. Secondary joints or structures may act in concert with more prominent features to form a network of channels along which the wave moves more freely than it may travel against the structure. The amplitudes of the ground motion was also shown to vary azimuthally with the direction of the most prominent structures.

Influence of ground water on soil-structure interaction

International Nuclear Information System (INIS)

Costantino, C.J.; Graves, H.L.

1987-01-01

The basic problem consists of a liner flexible structure situated at or near the surface of a soil half-space. In keeping with typical small strain seismic analyses, the soil skeleton is represented as a linear medium in which all potential nonlinearities are at most lumped together into an equivalent hysteretic damping modulus. In addition, the ground water level is located at some depth relatively close to the structure, and in a position to impact on the seismic response of the facility. In order to estimate the response of this oil-water system, the two-phased medium formulation of Biot was used to treat the response of the solids and water as two separate linear media, coupled together through soil permeability and volume effects. (orig./HP)

Solvation structure determination of nickel(II) ion in six nitriles using extended X-ray absorption fine structure spectroscopy

International Nuclear Information System (INIS)

Inada, Yasuhiro; Funahashi, Shigenobu

1997-01-01

The solvation structures of the nickel(II) ion in six nitriles have been determined using X-ray absorption fine structure spectroscopy. The coordination number and the Ni-N bond length are 6 and 206.9 ± 0.6 pm in acetonitrile, 5.9 ± 0.2 and 206.9 ± 0.6 pm in propionitrile, 6.0 ± 0.2 and 206.8 ± 0.6 pm in butyronitrile, 6.0 ± 0.2 and 206.8 ± 0.6 pm in isobutyronitrile, 6.0 ± 0.2 and 206.8 ± 0.6 pm in valeronitrile, and 6.0 ± 0.2 and 206.5 ± 0.7 pm in benzonitrile, respectively. The structure parameters around the nickel(II) ion in all the nitriles are not affected by the bulkiness of the nitrile molecules. On the basis of the obtained structure parameters, we have discussed the structural characteristics around the nickel(II) ion with nitrogen and oxygen donor solvents and the reaction mechanisms for nitrile exchange on the nickel(II) ion. (author)

Synthesis, crystal structures and properties of new homoleptic Ni(II)/Pd(II) β-oxodithioester chelates

Science.gov (United States)

Yadav, Chote L.; Manar, Krishna K.; Yadav, Manoj K.; Tiwari, Neeraj; Singh, Rakesh K.; Drew, Michael G. B.; Singh, Nanhai

2018-05-01

Six new cis-chelate complexes, [M(L)2] (L = methyl-3-hydroxy-3-(furyl)-2-propenedithioate L1, M = Ni(II) 1, Pd(II) 4; methyl-3-hydroxy-3-(thiophenyl)-2-propenedithioate L2, M = Ni(II) 2, Pd(II) 5 and methyl-3-hydroxy-3-(phenyl)-2-propenedithioate L3, M = Ni(II) 3, Pd(II) 6 have been prepared and characterized by elemental analyses, spectroscopy (IR, UV-Vis., 1H and 13C{1H} NMR). The structures of 2-6 have been revealed by X-ray crystallography. In all the crystal structures, the metal has four-coordinate slightly distorted square planar geometry with a cis-configuration of the ligands. Anti-leishmanial properties of the complexes have been studied; 2, 3 and 6 showed potential anti-promastigote and anti-amastigote activities with IC50 values of 1.70 ± 0.50, 1.62 ± 0.19, 9.20 ± 2.16 μg/mL and IC50 2.50 ± 0.10, 2.05 ± 0.40, 12.84 ± 3.46 μg/mL respectively. Cytotoxicity assays on these complexes showed toxicity on the promastigotes but less toxicity against RAW 264.7 cell lines at different concentrations. Palladium complexes 4, 5 and 6 show luminescent characteristics in CH2Cl2 solution at room temperature. Complexes 1-6 are weakly conducting (σrt = 10-4-10-6 S cm-1, Ea = 0.19-1.13 eV) but show semiconducting behavior in the solid phase.

Crystal structures of salicylideneguanylhydrazinium chloride and its copper(II) and cobalt(III) chloride complexes

International Nuclear Information System (INIS)

Chumakov, Yu. M.; Tsapkov, V. I.; Bocelli, G.; Antosyak, B. Ya.; Shova, S. G.; Gulea, A. P.

2006-01-01

The crystal structures of salicylideneguanylhydrazinium chloride hydrate hemiethanol solvate (I), salicylideneguanylhydrazinium trichloroaquacuprate(II) (II), and bis(salicylideneguanylhydrazino)cobalt(III) chloride trihydrate (III) are determined using X-ray diffraction. The structures of compounds I, II, and III are solved by direct methods and refined using the least-squares procedure in the anisotropic approximation for the non-hydrogen atoms to the final factors R = 0.0597, 0.0212, and 0.0283, respectively. In the structure of compound I, the monoprotonated molecules and chlorine ions linked by hydrogen bonds form layers aligned parallel to the (010) plane. In the structure of compound II, the salicylaldehyde guanylhydrazone cations and polymer chains consisting of trichloroaquacuprate(II) anions are joined by an extended three-dimensional network of hydrogen bonds. In the structure of compound III, the [Co(LH) 2 ] + cations, chloride ions, and molecules of crystallization water are linked together by a similar network

Coupling Fine-Scale Root and Canopy Structure Using Ground-Based Remote Sensing

Directory of Open Access Journals (Sweden)

Brady S. Hardiman

2017-02-01

Full Text Available Ecosystem physical structure, defined by the quantity and spatial distribution of biomass, influences a range of ecosystem functions. Remote sensing tools permit the non-destructive characterization of canopy and root features, potentially providing opportunities to link above- and belowground structure at fine spatial resolution in functionally meaningful ways. To test this possibility, we employed ground-based portable canopy LiDAR (PCL and ground penetrating radar (GPR along co-located transects in forested sites spanning multiple stages of ecosystem development and, consequently, of structural complexity. We examined canopy and root structural data for coherence (i.e., correlation in the frequency of spatial variation at multiple spatial scales ≤10 m within each site using wavelet analysis. Forest sites varied substantially in vertical canopy and root structure, with leaf area index and root mass more becoming even vertically as forests aged. In all sites, above- and belowground structure, characterized as mean maximum canopy height and root mass, exhibited significant coherence at a scale of 3.5–4 m, and results suggest that the scale of coherence may increase with stand age. Our findings demonstrate that canopy and root structure are linked at characteristic spatial scales, which provides the basis to optimize scales of observation. Our study highlights the potential, and limitations, for fusing LiDAR and radar technologies to quantitatively couple above- and belowground ecosystem structure.

Discourse, Paragraph, and Sentence Structure in Selected Philippine Languages. Final Report. Volume II, Sentence Structure.

Science.gov (United States)

Longacre, Robert E.

Volume II of "Discourse, Paragraph, and Sentence Structure in Selected Philippine Languages" begins with an explanation of certain assumptions and postulates regarding sentence structure. A detailed treatment of systems of sentence structure and the parameters of such systems follows. Data in the various indigenous languages are…

Progressive Transformation between Two Magnetic Ground States for One Crystal Structure of a Chiral Molecular Magnet.

Science.gov (United States)

Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally

2016-03-21

We report the exceptional observation of two different magnetic ground states (MGS), spin glass (SG, T(B) = 7 K) and ferrimagnet (FI, T(C) = 18 K), for one crystal structure of [{Mn(II)(D/L-NH2ala)}3{Mn(III)(CN)6}]·3H2O obtained from [Mn(CN)6](3-) and D/L-aminoalanine, in contrast to one MGS for [{Mn(II)(L-NH2ala)}3{Cr(III)(CN)6}]·3H2O. They consist of three Mn(NH2ala) helical chains bridged by M(III)(CN)6 to give the framework with disordered water molecules in channels and between the M(III)(CN)6. Both MGS are characterized by a negative Weiss constant, bifurcation in ZFC-FC magnetizations, blocking of the moments, both components of the ac susceptibilities, and hysteresis. They differ in the critical temperatures, absolute magnetization for 5 Oe FC (lack of spontaneous magnetization for the SG), and the shapes of the hysteresis and coercive fields. While isotropic pressure increases both T(crit) and the magnetizations linearly and reversibly in each case, dehydration progressively transforms the FI into the SG as followed by concerted in situ magnetic measurements and single-crystal diffraction. The relative strengths of the two moderate Mn(III)-CN-Mn(II) antiferromagnetic (J1 and J2), the weak Mn(II)-OCO-Mn(II) (J3), and Dzyaloshinkii-Moriya antisymmetric (DM) interactions generate the two sets of characters. Examination of the bond lengths and angles for several crystals and their corresponding magnetic properties reveals a correlation between the distortion of Mn(III)(CN)6 and the MGS. SG is favored by higher magnetic anisotropy by less distorted Mn(III)(CN)6 in good accordance with the Mn-Cr system. This conclusion is also born out of the magnetization measurements on orientated single crystals with fields parallel and perpendicular to the unique c axis of the hexagonal space group.

Crystal structure of bis(4-acetylanilinium tetrachloridomercurate(II

Directory of Open Access Journals (Sweden)

Manickam Thairiyaraja

2015-12-01

Full Text Available The structure of the title salt, (C8H10NO2[HgCl4], is isotypic with that of the cuprate(II and cobaltate(II analogues. The asymmetric unit contains one 4-acetylanilinium cation and one half of a tetrachloridomercurate(II anion (point group symmetry m. The Hg—Cl distances are in the range 2.4308 (7–2.5244 (11 Å and the Cl—Hg—Cl angles in the range of 104.66 (2–122.94 (4°, indicating a considerable distortion of the tetrahedral anion. In the crystal, cations are linked by an intermolecular N—H...O hydrogen-bonding interaction, leading to a C(8 chain motif with the chains extending parallel to the b axis. There is also a π–π stacking interaction with a centroid-to-centroid distance of 3.735 (2 Å between neighbouring benzene rings along this direction. The anions lie between the chains and interact with the cations through intermolecular N—H...Cl hydrogen bonds, leading to the formation of a three-dimensional network structure.

Ground Handling Business at Non-European Biggest World Airports as a Problem of Market Structures

Directory of Open Access Journals (Sweden)

Anna Tomová

2015-12-01

Full Text Available In the paper we analyse the market structures of ground handling at the biggest non-European passenger and cargo airports in accordance with the ACI list of the most important world airports in 2014. Using the IATA IGHC database as of spring 2015, our analysis revealed that out of Europe double digit numbers of providers are rare what contrasts with situation in Europe where ground handling markets were deregulated by the Council Directive 96/67/EC. The analysis also brought that the monopolistic structures of ground handling markets were more specific for the regions of Asia and the Middle East. Airports as ground handling providers were not found within the analysed sample in North America, Latin America, Africa and Australia and Oceania, while this arrangement was to a larger extent present at the analysed Asian airports. Asia and the Middle East biggest airports are identified by us as candidates for further deregulation of ground handling arguing by forecasted demand for air services in the regions, although expected deregulation may be curbed by national regulators.

The effect of ground borne vibrations from high speed train on overhead line equipment (OHLE) structure considering soil-structure interaction.

Science.gov (United States)

Ngamkhanong, Chayut; Kaewunruen, Sakdirat

2018-06-15

At present, railway infrastructure experiences harsh environments and aggressive loading conditions from increased traffic and load demands. Ground borne vibration has become one of these environmental challenges. Overhead line equipment (OHLE) provides electric power to the train and is, for one or two tracks, normally supported by cantilever masts. A cantilever mast, which is made of H-section steel, is slender and has a poor dynamic behaviour by nature. It can be seen from the literature that ground borne vibrations cause annoyance to people in surrounding areas especially in buildings. Nonetheless, mast structures, which are located nearest and alongside the railway track, have not been fully studied in terms of their dynamic behaviour. This paper presents the effects of ground borne vibrations generated by high speed trains on cantilever masts and contact wire located alongside railway tracks. Ground borne vibration velocities at various train speeds, from 100 km/h to 300 km/h, are considered based on the consideration of semi-empirical models for predicting low frequency vibration on ground. A three-dimensional mast structure with varying soil stiffness is made using a finite element model. The displacement measured is located at the end of cantilever mast which is the position of contact wire. The construction tolerance of contact stagger is used as an allowable movement of contact wire in transverse direction. The results show that the effect of vibration velocity from train on the transverse direction of mast structure is greater than that on the longitudinal direction. Moreover, the results obtained indicate that the ground bourn vibrations caused by high speed train are not strong enough to cause damage to the contact wire. The outcome of this study will help engineers improve the design standard of cantilever mast considering the effect of ground borne vibration as preliminary parameter for construction tolerances. Copyright © 2018 Elsevier B

Ground Motion Characteristics of the 2015 Gorkha Earthquake, Survey of Damage to Stone Masonry Structures and Structural Field Tests

Directory of Open Access Journals (Sweden)

Rishi Ram Parajuli

2015-11-01

Full Text Available On April 25, 2015, a M7.8 earthquake rattled central Nepal; ground motion recorded in Kantipath, Kathmandu, 76.86 km east of the epicenter suggested that the low frequency component was dominant. We consider data from eight aftershocks following the Gorkha earthquake and analyze ground motion characteristics; we found that most of the ground motion records are dominated by low frequencies for events with a moment magnitude greater than 6. The Gorkha earthquake devastated hundreds of thousands of structures. In the countryside, and especially in rural mountainous areas, most of the buildings that collapsed were stone masonry constructions. Detailed damage assessments of stone masonry buildings in Harmi Gorkha had done, with an epicentral distance of about 17 km. Structures were categorized as large, medium and small depending on their plinth area size and number of stories. Most of the structures in the area were damaged; interestingly, all ridge-line structures were heavily damaged. Moreover, Schmidt hammer tests were undertaken to determine the compressive strength of stone masonry, brick masonry with mud mortar for normal buildings and historical monuments. The compressive strengths of stone and brick masonry were found to be 12.38 and 18.75 MPa, respectively. Historical structures constructed with special bricks had a compressive strength of 29.50 MPa. Pullout tests were also conducted to determine the stone masonry-mud mortar bond strength. The cohesive strength of mud mortar and the coefficient of friction were determined.

Structure and Function of Cu(I)- and Zn(II)-ATPases

DEFF Research Database (Denmark)

Sitsel, Oleg; Grønberg, Christina; Autzen, Henriette Elisabeth

2015-01-01

Copper and zinc are micronutrients essential for the function of many enzymes while also being toxic at elevated concentrations. Cu(I)- and Zn(II)-transporting P-type ATPases of subclass 1B are of key importance for the homeostasis of these transition metals, allowing ion transport across cellular...... membranes at the expense of ATP. Recent biochemical studies and crystal structures have significantly improved our understanding of the transport mechanisms of these proteins, but many details about their structure and function remain elusive. Here we compare the Cu(I)- and Zn(II)-ATPases, scrutinizing...

Ground cross-modal impedance as a tool for analyzing ground/plate interaction and ground wave propagation.

Science.gov (United States)

Grau, L; Laulagnet, B

2015-05-01

An analytical approach is investigated to model ground-plate interaction based on modal decomposition and the two-dimensional Fourier transform. A finite rectangular plate subjected to flexural vibration is coupled with the ground and modeled with the Kirchhoff hypothesis. A Navier equation represents the stratified ground, assumed infinite in the x- and y-directions and free at the top surface. To obtain an analytical solution, modal decomposition is applied to the structure and a Fourier Transform is applied to the ground. The result is a new tool for analyzing ground-plate interaction to resolve this problem: ground cross-modal impedance. It allows quantifying the added-stiffness, added-mass, and added-damping from the ground to the structure. Similarity with the parallel acoustic problem is highlighted. A comparison between the theory and the experiment shows good matching. Finally, specific cases are investigated, notably the influence of layer depth on plate vibration.

Crystal structure of the sweet-tasting protein thaumatin II at 1.27 A

International Nuclear Information System (INIS)

Masuda, Tetsuya; Ohta, Keisuke; Tani, Fumito; Mikami, Bunzo; Kitabatake, Naofumi

2011-01-01

Highlights: → X-ray crystallographic structure of sweet-tasting protein, thaumatin II, was determined at a resolution of 1.27 A. → The overall structure of thaumatin II is similar to that of thaumatin I, but a slight shift of the Cα atom of G96 in thaumatin II was observed. → The side chain of two critical residues, 67 and 82, for sweetness was modeled in two alternative conformations. → The flexibility and fluctuation of side chains at 67 and 82 seems to be suitable for interaction of thaumatin molecules with sweet receptors. -- Abstract: Thaumatin, an intensely sweet-tasting protein, elicits a sweet taste sensation at 50 nM. Here the X-ray crystallographic structure of one of its variants, thaumatin II, was determined at a resolution of 1.27 A. Overall structure of thaumatin II is similar to thaumatin I, but a slight shift of the Cα atom of G96 in thaumatin II was observed. Furthermore, the side chain of residue 67 in thaumatin II is highly disordered. Since residue 67 is one of two residues critical to the sweetness of thaumatin, the present results suggested that the critical positive charges at positions 67 and 82 are disordered and the flexibility and fluctuation of these side chains would be suitable for interaction of thaumatin molecules with sweet receptors.

Crystal structure of the sweet-tasting protein thaumatin II at 1.27 A

Energy Technology Data Exchange (ETDEWEB)

Masuda, Tetsuya, E-mail: t2masuda@kais.kyoto-u.ac.jp [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan); Ohta, Keisuke; Tani, Fumito [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan); Mikami, Bunzo [Division of Applied Life Sciences, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Kitabatake, Naofumi [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan)

2011-07-08

Highlights: {yields} X-ray crystallographic structure of sweet-tasting protein, thaumatin II, was determined at a resolution of 1.27 A. {yields} The overall structure of thaumatin II is similar to that of thaumatin I, but a slight shift of the C{alpha} atom of G96 in thaumatin II was observed. {yields} The side chain of two critical residues, 67 and 82, for sweetness was modeled in two alternative conformations. {yields} The flexibility and fluctuation of side chains at 67 and 82 seems to be suitable for interaction of thaumatin molecules with sweet receptors. -- Abstract: Thaumatin, an intensely sweet-tasting protein, elicits a sweet taste sensation at 50 nM. Here the X-ray crystallographic structure of one of its variants, thaumatin II, was determined at a resolution of 1.27 A. Overall structure of thaumatin II is similar to thaumatin I, but a slight shift of the C{alpha} atom of G96 in thaumatin II was observed. Furthermore, the side chain of residue 67 in thaumatin II is highly disordered. Since residue 67 is one of two residues critical to the sweetness of thaumatin, the present results suggested that the critical positive charges at positions 67 and 82 are disordered and the flexibility and fluctuation of these side chains would be suitable for interaction of thaumatin molecules with sweet receptors.

One-dimensional Co(II)/Ni(II) complexes of 2-hydroxyisophthalate: Structures and magnetic properties

International Nuclear Information System (INIS)

Wang, Kai; Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei

2015-01-01

The solvothermal reactions of 2-hydroxyisophthalic acid (H 3 ipO) with M(NO 3 ) 2 ∙6H 2 O (M=Co, Ni) afforded two complexes [Co 2 (HipO) 2 (Py) 2 (H 2 O) 2 ] (1) and [Ni(HipO)(Py)H 2 O] (2) (Py=pyridine). They exhibit similar zig-zag chain structures with the adjacent two metal centers connected by a anti-syn bridging carboxylate group from the HipO 2− ligand. The magnetic measurements reveal the dominant antiferromagnetic interactions and spin-canting in 1 while ferromagnetic interactions in 2. Both of them exhibit magnetocaloric effect (MCE) with the resulting entropy changes (−ΔS m ) of 12.51 J kg −1 K −1 when ΔH=50 kOe at 3 K for 1 and 11.01 J kg −1 K −1 when ΔH=50 kOe at 3 K for 2, representing the rare examples of one-dimensional complexes with MCE. - Graphical abstract: Synopsis: Two Co(II)/Ni(II) complexes with zig-zag chain structures have been reported. 1-Co shows cant-antiferromagnetism while 2-Ni shows ferromagnetism. Magnetocaloric effect is also found in both of them. - Highlights: • Two one-dimensional Co(II)/Ni(II) complexes were solvothermally synthesized. • The Co-complex exhibits canted antiferromagnetism. • The Ni-complex exhibits ferromagnetism. • Both of the complexes display magnetocaloric effect

Hyperfine Structure and Isotope Shifts in Dy II

Directory of Open Access Journals (Sweden)

Dylan F. Del Papa

2017-01-01

Full Text Available Using fast-ion-beam laser-fluorescence spectroscopy (FIBLAS, we have measured the hyperfine structure (hfs of 14 levels and an additional four transitions in Dy II and the isotope shifts (IS of 12 transitions in the wavelength range of 422–460 nm. These are the first precision measurements of this kind in Dy II. Along with hfs and IS, new undocumented transitions were discovered within 3 GHz of the targeted transitions. These atomic data are essential for astrophysical studies of chemical abundances, allowing correction for saturation and the effects of blended lines. Lanthanide abundances are important in diffusion modeling of stellar interiors, and in the mechanisms and history of nucleosynthesis in the universe. Hfs and IS also play an important role in the classification of energy levels, and provide a benchmark for theoretical atomic structure calculations.

Crystal structure of bis(N,N,N′,N′-tetramethylguanidinium tetrachloridocuprate(II

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Mamadou Ndiaye

2016-07-01

Full Text Available In the structure of the title salt, (C5H14N32[CuCl4], the CuII atom in the anion lies on a twofold rotation axis. The tetrachloridocuprate(II anion adopts a flattened tetrahedral coordination environment and interacts electrostatically with the tetramethylguanidinium cation. The crystal packing is additionally consolidated through N—H...Cl and C—H...Cl hydrogen bonds, resulting in a three-dimensional network structure.

New Cu (II), Co(II) and Ni(II) complexes of chalcone derivatives: Synthesis, X-ray crystal structure, electrochemical properties and DFT computational studies

Science.gov (United States)

Tabti, Salima; Djedouani, Amel; Aggoun, Djouhra; Warad, Ismail; Rahmouni, Samra; Romdhane, Samir; Fouzi, Hosni

2018-03-01

The reaction of nickel(II), copper(II) and cobalt(II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) leads to a series of new complexes: Ni(L)2(NH3), Cu(L)2(DMF)2 and Co(L)2(H2O). The crystal structure of the Cu(L)2(DMF)2 complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexes were investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH3CN solutions, showing the quasi-reversible redox process ascribed to the reduction of the MII/MI couples. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces. HOMO/LUMO energy level and the global reactivity descriptors quantum parameters are also calculated. The electrophilic and nucleophilic potions in the complex surface are theoretically evaluated by molecular electrostatic potential and Mulliken atomic charges analysis.

M(II)-dipyridylamide-based coordination frameworks (M=Mn, Co, Ni): Structural transformation

Energy Technology Data Exchange (ETDEWEB)

Tzeng, Biing-Chiau; Selvam, TamilSelvi; Tsai, Miao-Hsin

2016-11-15

A series of 1-D double-zigzag (([M(papx){sub 2}(H{sub 2}O){sub 2}](ClO{sub 4}){sub 2}){sub n}; M=Mn, x=s (1), x=o (3); M=Co, x=s (4), x=o (5); M=Ni, x=s (6), x=o (7)) and 2-D polyrotaxane ([Mn(paps){sub 2}(ClO{sub 4}){sub 2}]{sub n} (2)) frameworks were synthesized by reactions of M(ClO{sub 4}){sub 2} (M=Mn, Co, and Ni) with papx (paps, N,N’-bis(pyridylcarbonyl)-4,4’-diaminodiphenylthioether; papo, N,N’-bis(pyridylcarbonyl)-4,4’-diaminodiphenyl ether), which have been isolated and structurally characterized by X-ray diffraction. Based on powder X-ray diffraction (PXRD) experiments, heating the double-zigzag frameworks underwent structural transformation to give the respective polyrotaxane ones. Moreover, grinding the solid samples of the respective polyrotaxanes in the presence of moisture also resulted in the total conversion to the original double-zigzag frameworks. In this study, we have successfully extended studies to Mn{sup II}, Co{sup II}, and Ni{sup II} frameworks from the previous Zn{sup II}, Cd{sup II}, and Cu{sup II} ones, and interestingly such structural transformation is able to be proven experimentally by powder and single-crystal X-ray diffraction studies as well. - Graphical abstract: 1-D double-zigzag and 2-D polyrotaxane frameworks of M(II)-papx (x=s, o; M=Mn, Co, Ni) frameworks can be interconverted by heating and grinding in the presence of moiture, and such structural transformation has be proven experimentally by powder and single-crystal X-ray diffraction studies.

Seismic fragility analysis of a CANDU containment structure for near-fault ground motions

International Nuclear Information System (INIS)

Choi, In Kil; Choun, Young Sun; Seo, Jeong Moon; Ahn, Seong Moon

2005-01-01

The R. G. 1.60 spectrum used for the seismic design of Korean nuclear power plants provides a generally conservative design basis due to its broadband nature. A survey on some of the Quaternary fault segments near Korean nuclear power plants is ongoing. It is likely that these faults will be identified as active ones. If the faults are confirmed as active ones, it will be necessary to reevaluate the seismic safety of the nuclear power plants located near these faults. The probability based scenario earthquakes were identified as near-field earthquakes. In general, the near-fault ground motion records exhibit a distinctive long period pulse like time history with very high peak velocities. These features are induced by the slip of the earthquake fault. Near-fault ground motions, which have caused much of the damage in recent major earthquakes, can be characterized by a pulse-like motion that exposes the structure to a high input energy at the beginning of the motion. It is necessary to estimate the near-fault ground motion effects on the nuclear power plant structures and components located near the faults. In this study, the seismic fragility analysis of a CANDU containment structure was performed based on the results of nonlinear dynamic time-history analyses

A New Defected Ground Structure for Different Microstrip Circuit Applications

Directory of Open Access Journals (Sweden)

S. Das

2007-04-01

Full Text Available In this paper, a microstrip transmission line combined with a new U-headed dumb-bell defected ground structure (DGS is investigated. The proposed DGS of two U-shape slots connected by a thin transverse slot is placed in the ground plane of a microstrip line. A finite cutoff frequency and attenuation pole is observed and thus, the equivalent circuit of the DGS unit can be represented by a parallel LC resonant circuit in series with the transmission line. A two-cell DGS microstrip line yields a better lowpass filtering characteristics. The simulation is carried out by the MoM based IE3D software and in the experimental measurements a vector network analyzer is used. The effects of the transverse slot width and the distance between arms of the U-slot on the filter response curve are studied. This DGS is utilized for different microstrip circuit applications. The DGS is placed in the ground of a capacitive loaded microstrip line and a very low cutoff frequency is obtained. The DGS is adopted under the coupled lines of a parallel line coupler and an improvement in coupling coefficient is noticed. The proposed DGS is also incorporated in the ground plane under the feed lines and the coupled lines of a bandpass filter to improve separately the stopband and passband performances.

Shape Memory Alloy-Based Periodic Cellular Structures, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — This SBIR Phase II effort will continue to develop and demonstrate an innovative shape memory alloy (SMA) periodic cellular structural technology. Periodic cellular...

Syntheses, structures, and properties of imidazolate-bridged Cu(II)-Cu(II) and Cu(II)-Zn(II) dinuclear complexes of a single macrocyclic ligand with two hydroxyethyl pendants.

Science.gov (United States)

Li, Dongfeng; Li, Shuan; Yang, Dexi; Yu, Jiuhong; Huang, Jin; Li, Yizhi; Tang, Wenxia

2003-09-22

The imidazolate-bridged homodinuclear Cu(II)-Cu(II) complex, [(CuimCu)L]ClO(4).0.5H(2)O (1), and heterodinuclear Cu(II)-Zn(II) complex, [(CuimZnL(-)(2H))(CuimZnL(-)(H))](ClO(4))(3) (2), of a single macrocyclic ligand with two hydroxyethyl pendants, L (L = 3,6,9,16,19,22-hexaaza-6,19-bis(2-hydroxyethyl)tricyclo[22,2,2,2(11,14)]triaconta-1,11,13,24,27,29-hexaene), have been synthesized as possible models for copper-zinc superoxide dismutase (Cu(2),Zn(2)-SOD). Their crystal structures analyzed by X-ray diffraction methods have shown that the structures of the two complexes are markedly different. Complex 1 crystallizes in the orthorhombic system, containing an imidazolate-bridged dicopper(II) [Cu-im-Cu](3+) core, in which the two copper(II) ions are pentacoordinated by virtue of an N4O environment with a Cu.Cu distance of 5.999(2) A, adopting the geometry of distorted trigonal bipyramid and tetragonal pyramid, respectively. Complex 2 crystallizes in the triclinic system, containing two similar Cu-im-Zn cores in the asymmetric unit, in which both the Cu(II) and Zn(II) ions are pentacoordinated in a distorted trigonal bipyramid geometry, with the Cu.Zn distance of 5.950(1)/5.939(1) A, respectively. Interestingly, the macrocyclic ligand with two arms possesses a chairlike (anti) conformation in complex 1, but a boatlike (syn) conformation in complex 2. Magnetic measurements and ESR spectroscopy of complex 1 have revealed the presence of an antiferromagnetic exchange interaction between the two Cu(II) ions. The ESR spectrum of the Cu(II)-Zn(II) heterodinuclear complex 2 displayed a typical signal for mononuclear trigonal bipyramidal Cu(II) complexes. From pH-dependent ESR and electronic spectroscopic studies, the imidazolate bridges in the two complexes have been found to be stable over broad pH ranges. The cyclic voltammograms of the two complexes have been investigated. Both of the two complexes can catalyze the dismutation of superoxide and show rather high activity.

Structural basis for hyperactivity of cN-II mutants

Czech Academy of Sciences Publication Activity Database

Hnízda, Aleš; Škerlová, Jana; Šinalová, Martina; Pachl, Petr; Man, Petr; Novák, Petr; Fábry, Milan; Řezáčová, Pavlína; Veverka, Václav

2015-01-01

Roč. 22, č. 1 (2015), s. 4 ISSN 1211-5894. [Discussions in Structural Molecular Biology. Annual Meeting of the Czech Society for Structural Biology /13./. 19.03.2015-21.03.2015, Nové Hrady] Institutional support: RVO:61388963 ; RVO:68378050 ; RVO:61388971 Keywords : cN-II mutants * enzyme hyperactivity Subject RIV: CE - Biochemistry

Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties

Energy Technology Data Exchange (ETDEWEB)

Yang, Gao-Shan [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Liu, Chong-Bo, E-mail: cbliu@nchu.edu.cn [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Liu, Hong [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Robbins, Julianne; Zhang, Z. John [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Yin, Hong-Shan [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Wen, Hui-Liang [State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047 (China); Wang, Yu-Hua [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China)

2015-05-15

Six new coordination polymers, namely, [Pb(L)(H{sub 2}O)] (1), [Pb(L)(phen)] (2), [Pb{sub 2}(L){sub 2}(4,4′-bipy){sub 0.5}] (3), [Cd(L)(phen)] (4), [Cd(L)(4,4′-bipy)]·H{sub 2}O (5) and [Mn(L)(4,4′-bipy)]·H{sub 2}O (6) have been synthesized by the hydrothermal reaction of 2,2′-[hexafluoroisopropylidenebis(p-phenyleneoxy)]diacetic acid (H{sub 2}L) with Pb(II)/Cd(II)/Mn(II) in the presence of ancillary ligands 4,4′-bipyridine (4,4′-bipy) or 1,10-phenanthroline (phen). Complexes 1 and 4–6 exhibit 2-D structures, and complexes 2–3 display 3-D frameworks, of which L{sup 2−} ligands join metal ions to single-stranded helical chains of 1, 3–6 and double-stranded helical chains of 2. Complexes 2 and 3 also contain double-stranded Metal–O helices. Topology analysis reveals that complexes 1 and 4 both represent 4-connected sql net, 2 represents 6-connected pcu net, 3 exhibits a novel (3,12)-connected net, while 5 and 6 display (3,5)-connected gek1 net. The six complexes exhibit two kinds of inorganic–organic connectivities: I{sup 0}O{sup 2} for 1, 4–6, and I{sup 1}O{sup 2} for 2–3. The photoluminescent properties of 4–5 and the magnetic properties of 6 have been investigated. - Graphical abstract: Six new Pb(II)/Cd(II)/Mn(II) coordination polymers with helical structures based on flexible V-shaped dicarboxylate ligand have been synthesized and structurally characterized. Photoluminescent and magnetic properties have been investigated. - Highlights: • Six novel M(II) coordination polymers with 2,2′-[hexafluoroisopropylidenebis(p-phenyleneoxy)]diacetic acid and N-donor ligands. • Complexes 1–6 show diverse intriguing helical characters. • The luminescent properties of complexes 1–5 were investigated. • Complex 6 shows antiferromagnetic coupling.

Figure-ground segregation can rely on differences in motion direction.

Science.gov (United States)

Kandil, Farid I; Fahle, Manfred

2004-12-01

If the elements within a figure move synchronously while those in the surround move at a different time, the figure is easily segregated from the surround and thus perceived. Lee and Blake (1999) [Visual form created solely from temporal structure. Science, 284, 1165-1168] demonstrated that this figure-ground separation may be based not only on time differences between motion onsets, but also on the differences between reversals of motion direction. However, Farid and Adelson (2001) [Synchrony does not promote grouping in temporally structured displays. Nature Neuroscience, 4, 875-876] argued that figure-ground segregation in the motion-reversal experiment might have been based on a contrast artefact and concluded that (a)synchrony as such was 'not responsible for the perception of form in these or earlier displays'. Here, we present experiments that avoid contrast artefacts but still produce figure-ground segregation based on purely temporal cues. Our results show that subjects can segregate figure from ground even though being unable to use motion reversals as such. Subjects detect the figure when either (i) motion stops (leading to contrast artefacts), or (ii) motion directions differ between figure and ground. Segregation requires minimum delays of about 15 ms. We argue that whatever the underlying cues and mechanisms, a second stage beyond motion detection is required to globally compare the outputs of local motion detectors and to segregate figure from ground. Since analogous changes take place in both figure and ground in rapid succession, this second stage has to detect the asynchrony with high temporal precision.

Surface Structures Formed by a Copper(II Complex of Alkyl-Derivatized Indigo

Directory of Open Access Journals (Sweden)

Akinori Honda

2016-10-01

Full Text Available Assembled structures of dyes have great influence on their coloring function. For example, metal ions added in the dyeing process are known to prevent fading of color. Thus, we have investigated the influence of an addition of copper(II ion on the surface structure of alkyl-derivatized indigo. Scanning tunneling microscope (STM analysis revealed that the copper(II complexes of indigo formed orderly lamellar structures on a HOPG substrate. These lamellar structures of the complexes are found to be more stable than those of alkyl-derivatized indigos alone. Furthermore, 2D chirality was observed.

Structure of photosystem II and substrate binding at room temperature.

Science.gov (United States)

Young, Iris D; Ibrahim, Mohamed; Chatterjee, Ruchira; Gul, Sheraz; Fuller, Franklin; Koroidov, Sergey; Brewster, Aaron S; Tran, Rosalie; Alonso-Mori, Roberto; Kroll, Thomas; Michels-Clark, Tara; Laksmono, Hartawan; Sierra, Raymond G; Stan, Claudiu A; Hussein, Rana; Zhang, Miao; Douthit, Lacey; Kubin, Markus; de Lichtenberg, Casper; Long Vo, Pham; Nilsson, Håkan; Cheah, Mun Hon; Shevela, Dmitriy; Saracini, Claudio; Bean, Mackenzie A; Seuffert, Ina; Sokaras, Dimosthenis; Weng, Tsu-Chien; Pastor, Ernest; Weninger, Clemens; Fransson, Thomas; Lassalle, Louise; Bräuer, Philipp; Aller, Pierre; Docker, Peter T; Andi, Babak; Orville, Allen M; Glownia, James M; Nelson, Silke; Sikorski, Marcin; Zhu, Diling; Hunter, Mark S; Lane, Thomas J; Aquila, Andy; Koglin, Jason E; Robinson, Joseph; Liang, Mengning; Boutet, Sébastien; Lyubimov, Artem Y; Uervirojnangkoorn, Monarin; Moriarty, Nigel W; Liebschner, Dorothee; Afonine, Pavel V; Waterman, David G; Evans, Gwyndaf; Wernet, Philippe; Dobbek, Holger; Weis, William I; Brunger, Axel T; Zwart, Petrus H; Adams, Paul D; Zouni, Athina; Messinger, Johannes; Bergmann, Uwe; Sauter, Nicholas K; Kern, Jan; Yachandra, Vittal K; Yano, Junko

2016-12-15

Light-induced oxidation of water by photosystem II (PS II) in plants, algae and cyanobacteria has generated most of the dioxygen in the atmosphere. PS II, a membrane-bound multi-subunit pigment protein complex, couples the one-electron photochemistry at the reaction centre with the four-electron redox chemistry of water oxidation at the Mn 4 CaO 5 cluster in the oxygen-evolving complex (OEC). Under illumination, the OEC cycles through five intermediate S-states (S 0 to S 4 ), in which S 1 is the dark-stable state and S 3 is the last semi-stable state before O-O bond formation and O 2 evolution. A detailed understanding of the O-O bond formation mechanism remains a challenge, and will require elucidation of both the structures of the OEC in the different S-states and the binding of the two substrate waters to the catalytic site. Here we report the use of femtosecond pulses from an X-ray free electron laser (XFEL) to obtain damage-free, room temperature structures of dark-adapted (S 1 ), two-flash illuminated (2F; S 3 -enriched), and ammonia-bound two-flash illuminated (2F-NH 3 ; S 3 -enriched) PS II. Although the recent 1.95 Å resolution structure of PS II at cryogenic temperature using an XFEL provided a damage-free view of the S 1 state, measurements at room temperature are required to study the structural landscape of proteins under functional conditions, and also for in situ advancement of the S-states. To investigate the water-binding site(s), ammonia, a water analogue, has been used as a marker, as it binds to the Mn 4 CaO 5 cluster in the S 2 and S 3 states. Since the ammonia-bound OEC is active, the ammonia-binding Mn site is not a substrate water site. This approach, together with a comparison of the native dark and 2F states, is used to discriminate between proposed O-O bond formation mechanisms.

New Mn(II, Ni(II, Cd(II, Pb(II complexes with 2-methylbenzimidazole and other ligands. Synthesis, spectroscopic characterization, crystal structure, magnetic susceptibility and biological activity studies

Directory of Open Access Journals (Sweden)

Shayma A. Shaker

2016-11-01

Full Text Available Synthesis and characterization of Mn(II, Ni(II, Cd(II and Pb(II mixed ligand complexes of 2-methylbenzimidazole with other ligands have been reported. The structure of the ligands and their complexes was investigated using elemental analysis, IR, UV–Vis, (1H, 13C NMR spectroscopy, molar conductivity and magnetic susceptibility measurements. In all the studies of complexes, the 2-methylbenzimidazole behaves as a neutral monodentate ligand which is coordinated with the metal ions through the N atom. While benzotriazole behaves as a neutral bidentate ligand which is coordinated with the Ni(II ion through the two N atoms. Moreover, the N-acetylglycine behaves as a bidentate ligand which is coordinated with the Mn(II, Ni(II and Pb(II ions through the N atom and the terminal carboxyl oxygen atom. The magnetic and spectral data indicate the tetrahedral geometry for Mn(II complex, irregular tetrahedral geometry for Pb(II complex and octahedral geometry for Ni(II complex. The X-ray single crystal diffraction method was used to confirm a centrosymmetric dinuclear Cd(II complex as each two metal ions are linked by a pair of thiocyanate N = S bridge. Two 2-methylbenzimidazole N-atom donors and one terminal thiocyanate N atom complete a highly distorted square pyramid geometry around the Cd atom. Besides, different cell types were used to determine the inhibitory effect of Mn(II, Ni(II, Cd(II and Pb(II complexes on cell growth using MTT assay. Cd(II complex showed cytotoxic effect on various types of cancer cell lines with different EC50 values.

Composite Structure Monitoring using Direct Write Sensors, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — This NASA SBIR Phase II project seeks to develop and demonstrate a suite of sensor products to monitor the health of composite structures. Sensors will be made using...

Template Syntheses, Crystal Structures and Supramolecular Assembly of Hexaaza Macrocyclic Copper(II) Complexes

International Nuclear Information System (INIS)

Kim, Taehyung; Kim, Ju Chang; Lough, Alan J.

2013-01-01

Two new hexaaza macrocyclic copper(II) complexes were prepared by a template method and structurally characterized. In the solid state, they were self-assembled by intermolecular interactions to form the corresponding supramolecules 1 and 2, respectively. In the structure of 1, the copper(II) macrocycles are bridged by a tp ligand to form a macrocyclic copper(II) dimer. The dimer extends its structure by intermolecular forces such as hydrogen bonds and C-H···π interactions, resulting in the formation of a double stranded 1D supramolecule. In 2, the basic structure is a monomeric copper(II) macrocycle with deprotonated imidazole pendants. An undulated 1D hydrogen bonded array is achieved through hydrogen bonds between imidazole pendants and secondary amines, where the imidazole pendants act as a hydrogen bond acceptor. The 1D hydrogen bonded supramolecular chain is supported by C-H···π interactions between the methyl groups of acetonitrile ligands and imidazole pendants of the copper(II) macrocycles. In both complexes, the introduction of imidazoles to the macrocycle as a pendant plays an important role for the formation of supramolecules, where they act as intermolecular hydrogen bond donors and/or acceptors, C-H···π and π-π interactions

Eight joint BER II and BESSY II users meeting. Abstracts

International Nuclear Information System (INIS)

2016-01-01

The following topics were dealt with: Accelerator operation and projecs, photon science and instrumentation at BESSY II, status of energy materials in-situ Lab at BESSY II, high resolution spectrometer PEAXIS at BESSY II, sample environment at BESSY II, molecular control mechanisms in the Brr2 RNA helicase for efficient and regulated splicing, the Li conversion reaction of 4CoFe_2O_4 nanoparticles, buried interfaces in lithium ion batteries probed with HAXPES, ARPES studies of the STO(001) 2DEG, all-in/all-out magnetic order in rare earth iridates, oxygen reduction reaction on graphene in Li-air batteries, electronic order in high-T_c superconductors, in-siu observation of novel switching phenomena in highly porous metal-organic frameworks, photoinduced demagnetization and insulator-to-metal transition in ferromagnetic insulating BaFeO_3 thin films, ARPES measurement of the ferroelectric bulk Rashba system GeTe, bisphenol A on Cu(111) and Ag(111), reverse water-gas shift or Sabathier methanation on N(110), structural studies of molecular machines, multi-MHz time-of-flight electronic band-structure imaging of graphene on Ir(111), diffusion pathways in ion conductors, ground-state potential energy surfaces around selected atoms from resonant inelastic X-ray scattering, solar energy in an emerging country, in-situ neutron analysis of electrode materials for electrochemical energy storage, structure and transport properties in thermoelectric skutterudites, investigation of the interphase formation on solid lithium-ion conductors by neutron reflectometry, load partitin and damage characterization of cast AlSi_1_2CuMgNi alloy with ceramic reinforcement, methane adsorption in highly porous metal-organics, structure and magnetic interactions in dimer system Ba_(_3_-_x_)Sr_xCr_2O_8, distribution of S in C-S nanocomposites, current status of HFM-EXED FACITIY; SPIN NEAMTICITY IN s=1/2 frustrated zigzag chaIN β-TeVO_4, electronic properties of U(Ru_0_._9_2Rh_0_._0_8)_2Si_2 in

Soil-structure interaction Vol.3. Influence of ground water

Energy Technology Data Exchange (ETDEWEB)

Costantino, C J

1986-04-01

This study has been performed for the Nuclear Regulatory Commission (NRC) by the Structural Analysis Division of Brookhaven National Laboratory (BNL). The study was conducted during the fiscal year 1965 on the program entitled 'Benchmarking of Structural Engineering Problems' sponsored by NRC. The program considered three separate but complementary problems, each associated with the soil-structure interaction (551) phase of the seismic response analysis of nuclear plant facilities. The reports, all entitled Soil-Structure Interaction, are presented in three separate volumes, namely: Vol. 1 Influence of Layering by AJ Philippacopoulos, Vol. 2 Influence of Lift-Off by C.A. Miller, Vol. 3 Influence of Ground Water by C.J. Costantino. The two problems presented in Volumes 2 and 3 were conducted at the City University of New York (CUNY) under subcontract to BNL. This report, Volume 3 of the report, presents a summary of the first year's effort on the subject of the influence of foundation ground water on the SSI phenomenon. A finite element computer program was developed for the two-phased formulation of the combined soil-water problem. This formulation is based on the Biot dynamic equations of motion for both the solid and fluid phases of a typical soil. Frequency dependent interaction coefficients were generated for the two-dimensional plane problem of a rigid surface footing moving against a saturated linear soil. The results indicate that interaction coefficients are significantly modified as compared to the comparable values for a dry soil, particularly for the rocking mode of response. Calculations were made to study the impact of the modified interaction coefficients on the response of a typical nuclear reactor building. The amplification factors for a stick model placed atop a dry and saturated soil were computed. It was found that pore water caused the rocking response to decrease and translational response to increase over the frequency range of interest, as

On-ground casualty risk reduction by structural design for demise

Science.gov (United States)

Lemmens, Stijn; Funke, Quirin; Krag, Holger

2015-06-01

In recent years, awareness concerning the on-ground risk posed by un-controlled re-entering space systems has increased. On average over the past decade, an object with mass above 800 kg re-enters every week from which only a few, e.g. ESA's GOCE in 2013 and NASA's UARS in 2011, appeared prominent in international media. Space agencies and nations have discussed requirements to limit the on-ground risk for future missions. To meet the requirements, the amount of debris falling back on Earth has to be limited in number, mass and size. Design for demise (D4D) refers to all measures taken in the design of a space object to increase the potential for demise of the object and its components during re-entry. SCARAB (Spacecraft Atmospheric Re-entry and Break-Up) is ESA's high-fidelity tool which analyses the thermal and structural effects of atmospheric re-entry on spacecraft with a finite-element approach. For this study, a model of a representative satellite is developed in SCARAB to serve as test-bed for D4D analyses on a structural level. The model is used as starting point for different D4D approaches based on increasing the exposure of the satellite components to the aero-thermal environment, as a way to speed up the demise. Statistical bootstrapping is applied to the resulting on-ground fragment lists in order to compare the different re-entry scenarios and to determine the uncertainties of the results. Moreover, the bootstrap results can be used to analyse the casualty risk estimator from a theoretical point of view. The risk reductions for the analysed D4D techniques are presented with respect to the reference scenario for the modelled representative satellite.

Structural and IR-spectroscopic characterization of cadmium and lead(II) acesulfamates

Energy Technology Data Exchange (ETDEWEB)

Echeverria, Gustavo A.; Piro, Oscar E. [Univ. Nacional de La Plata (Argentina). Dept. de Fisica y Inst. IFLP (CONICET- CCT-La Plata); Parajon-Costa, Beatriz S.; Baran, Enrique J. [Univ. Nacional de La Plata (Argentina). Centro de Quimica Inorganica (CEQUINOR/CONICET- CCT-La Plata)

2017-07-01

Cadmium and lead(II) acesulfamate, Cd(C{sub 4}H{sub 4}NO{sub 4}S){sub 2} . 2H{sub 2}O and Pb(C{sub 4}H{sub 4}NO{sub 4}S){sub 2}, were prepared by the reaction of acesulfamic acid and the respective metal carbonates in aqueous solution, and characterized by elemental analysis. Their crystal structures were determined by single crystal X-ray diffraction methods. The Cd(II) compound crystallizes in the monoclinic space group P2{sub 1}/c with Z=4 and the corresponding Pb(II) salt in the triclinic space group P anti 1 with Z=2. In both salts, acesulfamate acts both as a bi-dentate ligand through its nitrogen and carbonyl oxygen atoms and also as a mono-dentate ligand through this same oxygen atom, giving rise to polymeric structures; in the Pb(II) salt the ligand also binds the cation through its sulfoxido oxygen atoms. The FTIR spectra of the compounds were recorded and are briefly discussed. Some comparisons with other related acesulfamate and saccharinate complexes are made.

Incommensurate composite crystal structure of scandium-II

International Nuclear Information System (INIS)

Fujihisa, Hiroshi; Gotoh, Yoshito; Yamawaki, Hiroshi; Sakashita, Mami; Takeya, Satoshi; Honda, Kazumasa; Akahama, Yuichi; Kawamura, Haruki

2005-01-01

The long-unknown crystal structure of the high pressure phase scandium-II was solved by powder x-ray diffraction and was found to have tetragonal host channels along the c axis and guest chains that are incommensurate with the host, as well as the high pressure phases of Ba, Sr, Bi, and Sb. The pressure dependences of the lattice constants, the incommensurability, the atomic distances, and the atomic volume were investigated

TCM Analysis of Defected Ground Structures for MIMO Antenna Designs in Mobile Terminals

KAUST Repository

Ghalib, Asim; Sharawi, Mohammad S.

2017-01-01

In this paper, the theory of characteristic modes (TCM) is used for the first time to analyze the behavior of defected ground structures (DGS) when added to antenna designs. A properly designed DGS introduces currents opposite in direction

Copper(II) and palladium(II) complexes with tridentate NSO donor Schiff base ligand: Synthesis, characterization and structures

Science.gov (United States)

Kumar, Sujit Baran; Solanki, Ankita; Kundu, Suman

2017-09-01

Mononuclear copper(II) complex [CuL2] and palladium(II) complexes [Pd(X)L] where X = benzoate(bz) or salicylate(sal) and HL = 2-(methylthio)phenylimino)methyl)phenol, a Schiff base ligand with NSO coordination sites have been synthesized and characterized by microanalyses, IR, UV-Visible spectra, conductivity measurement and magnetic studies. Crystal structures of all the complexes have been solved by single crystal X-ray diffraction studies and showed that there are two molecules in a unit cell in the [CuL2] complex - one molecule has square planar geometry whereas second molecule has distorted square pyramidal geometry and palladium(II) complexes have distorted square planar geometry.

Figure-ground mechanisms provide structure for selective attention

OpenAIRE

Qiu, Fangtu T.; Sugihara, Tadashi; von der Heydt, Rüdiger

2007-01-01

Attention depends on figure-ground organization: figures draw attention, while shapes of the ground tend to be ignored. Recent research has demonstrated mechanisms of figure-ground organization in the visual cortex, but how they relate to the attention process remains unclear. Here we show that the influences of figure-ground organization and volitional (top-down) attention converge in single neurons of area V2. While assignment of border ownership was found for attended as well as for ignore...

a Point Cloud Classification Approach Based on Vertical Structures of Ground Objects

Science.gov (United States)

Zhao, Y.; Hu, Q.; Hu, W.

2018-04-01

This paper proposes a novel method for point cloud classification using vertical structural characteristics of ground objects. Since urbanization develops rapidly nowadays, urban ground objects also change frequently. Conventional photogrammetric methods cannot satisfy the requirements of updating the ground objects' information efficiently, so LiDAR (Light Detection and Ranging) technology is employed to accomplish this task. LiDAR data, namely point cloud data, can obtain detailed three-dimensional coordinates of ground objects, but this kind of data is discrete and unorganized. To accomplish ground objects classification with point cloud, we first construct horizontal grids and vertical layers to organize point cloud data, and then calculate vertical characteristics, including density and measures of dispersion, and form characteristic curves for each grids. With the help of PCA processing and K-means algorithm, we analyze the similarities and differences of characteristic curves. Curves that have similar features will be classified into the same class and point cloud correspond to these curves will be classified as well. The whole process is simple but effective, and this approach does not need assistance of other data sources. In this study, point cloud data are classified into three classes, which are vegetation, buildings, and roads. When horizontal grid spacing and vertical layer spacing are 3 m and 1 m respectively, vertical characteristic is set as density, and the number of dimensions after PCA processing is 11, the overall precision of classification result is about 86.31 %. The result can help us quickly understand the distribution of various ground objects.

Fault Structural Control on Earthquake Strong Ground Motions: The 2008 Wenchuan Earthquake as an Example

Science.gov (United States)

Zhang, Yan; Zhang, Dongli; Li, Xiaojun; Huang, Bei; Zheng, Wenjun; Wang, Yuejun

2018-02-01

Continental thrust faulting earthquakes pose severe threats to megacities across the world. Recent events show the possible control of fault structures on strong ground motions. The seismogenic structure of the 2008 Wenchuan earthquake is associated with high-angle listric reverse fault zones. Its peak ground accelerations (PGAs) show a prominent feature of fault zone amplification: the values within the 30- to 40-km-wide fault zone block are significantly larger than those on both the hanging wall and the footwall. The PGA values attenuate asymmetrically: they decay much more rapidly in the footwall than in the hanging wall. The hanging wall effects can be seen on both the vertical and horizontal components of the PGAs, with the former significantly more prominent than the latter. All these characteristics can be adequately interpreted by upward extrusion of the high-angle listric reverse fault zone block. Through comparison with a low-angle planar thrust fault associated with the 1999 Chi-Chi earthquake, we conclude that different fault structures might have controlled different patterns of strong ground motion, which should be taken into account in seismic design and construction.

Theoretical Calculation and Analysis on the Composite Rock-Bolt Bearing Structure in Burst-Prone Ground

Directory of Open Access Journals (Sweden)

Liang Cheng

2015-01-01

Full Text Available Given the increase in mining depth and intensity, tunnel failure as a result of rock burst has become an important issue in the field of mining engineering in China. Based on the Composite Rock-Bolt Bearing Structure, which is formed due to the interaction of the bolts driven into the surrounding rock, this paper analyzes a rock burst prevention mechanism, establishes a mechanical model in burst-prone ground, deduces the strength calculation formula of the Composite Rock-Bolt Bearing Structure in burst-prone ground, and confirms the rock burst prevention criterion of the Composite Rock-Bolt Bearing Structure. According to the rock burst prevention criterion, the amount of the influence on rock burst prevention ability from the surrounding rock parameters and bolt support parameters is discussed.

FASTRAN II - FATIGUE CRACK GROWTH STRUCTURAL ANALYSIS (UNIX VERSION)

Science.gov (United States)

Newman, J. C.

1994-01-01

Predictions of fatigue crack growth behavior can be made with the Fatigue Crack Growth Structural Analysis (FASTRAN II) computer program. As cyclic loads are applied to a selected crack configuration with an initial crack size, FASTRAN II predicts crack growth as a function of cyclic load history until either a desired crack size is reached or failure occurs. FASTRAN II is based on plasticity-induced crack-closure behavior of cracks in metallic materials and accounts for load-interaction effects, such as retardation and acceleration, under variable-amplitude loading. The closure model is based on the Dugdale model with modifications to allow plastically deformed material to be left along the crack surfaces as the crack grows. Plane stress and plane strain conditions, as well as conditions between these two, can be simulated in FASTRAN II by using a constraint factor on tensile yielding at the crack front to approximately account for three-dimensional stress states. FASTRAN II contains seventeen predefined crack configurations (standard laboratory fatigue crack growth rate specimens and many common crack configurations found in structures); and the user can define one additional crack configuration. The baseline crack growth rate properties (effective stress-intensity factor against crack growth rate) may be given in either equation or tabular form. For three-dimensional crack configurations, such as surface cracks or corner cracks at holes or notches, the fatigue crack growth rate properties may be different in the crack depth and crack length directions. Final failure of the cracked structure can be modelled with fracture toughness properties using either linear-elastic fracture mechanics (brittle materials), a two-parameter fracture criterion (brittle to ductile materials), or plastic collapse (extremely ductile materials). The crack configurations in FASTRAN II can be subjected to either constant-amplitude, variable-amplitude or spectrum loading. The applied

Complexation of 1,3-dimorpholinopropane with Hg(II) and Zn(II) salts: Synthese, crystal structures and antibacterial studies

Czech Academy of Sciences Publication Activity Database

Goudarziafshar, H.; Yousefi, S.; Abbasityula, Y.; Dušek, Michal; Eigner, Václav; Rezaeivala, M.; Özbek, N.

2015-01-01

Roč. 31, č. 6 (2015), s. 1076-1084 ISSN 1001-4861 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : crystal structure * 1,3-dimorpholinopropane * antibacterial activity * Hg(II) complex * Zn(II) complex Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 0.488, year: 2015

Electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clays. Role in U and Hg(II) transformations

Energy Technology Data Exchange (ETDEWEB)

Scherer, Michelle [Univ. of Iowa, Iowa City, IA (United States)

2016-08-31

During this project, we investigated Fe electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clay minerals. We used selective chemical extractions, enriched Fe isotope tracer experiments, computational molecular modeling, and Mössbauer spectroscopy. Our findings indicate that structural Fe(III) in clay minerals is reduced by aqueous Fe(II) and that electron transfer occurs when Fe(II) is sorbed to either basal planes and edge OH-groups of clay mineral. Findings from highly enriched isotope experiments suggest that up to 30 % of the Fe atoms in the structure of some clay minerals exhanges with aqueous Fe(II). First principles calculations using a small polaron hopping approach suggest surprisingly fast electron mobility at room temperature in a nontronite clay mineral and are consistent with temperature dependent Mössbauer data Fast electron mobility suggests that electrons may be able to conduct through the mineral fast enough to enable exchange of Fe between the aqueous phase and clay mineral structure. over the time periods we observed. Our findings suggest that Fe in clay minerals is not as stable as previously thought.

Crystal structure of metallo DNA duplex containing consecutive Watson-Crick-like T-Hg(II)-T base pairs.

Science.gov (United States)

Kondo, Jiro; Yamada, Tom; Hirose, Chika; Okamoto, Itaru; Tanaka, Yoshiyuki; Ono, Akira

2014-02-24

The metallo DNA duplex containing mercury-mediated T-T base pairs is an attractive biomacromolecular nanomaterial which can be applied to nanodevices such as ion sensors. Reported herein is the first crystal structure of a B-form DNA duplex containing two consecutive T-Hg(II)-T base pairs. The Hg(II) ion occupies the center between two T residues. The N3-Hg(II) bond distance is 2.0 Å. The relatively short Hg(II)-Hg(II) distance (3.3 Å) observed in consecutive T-Hg(II)-T base pairs suggests that the metallophilic attraction could exist between them and may stabilize the B-form double helix. To support this, the DNA duplex is largely distorted and adopts an unusual nonhelical conformation in the absence of Hg(II). The structure of the metallo DNA duplex itself and the Hg(II)-induced structural switching from the nonhelical form to the B-form provide the basis for structure-based design of metal-conjugated nucleic acid nanomaterials. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transitory and steady analysis of grounding structures using the LN-FDTD method

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Rodrigo Melo e Silva de; Souza Sobrinho, Carlos Leonidas da S. [Federal University of Para (UFPA), Belem, PA (Brazil). Electrical and Computer Engineering Dept.], Emails: rodrigo@lane.ufpa.br, leonidas@ufpa.br

2007-07-01

This work presents an overview of the LN-FDTD method (FDTD in local and non orthogonal coordinate system) to solve Maxwell's Equations. This method has been used to simulate curved grounding structures. Results are obtained by employing the presented methodology and they are compared to reference equations available in literature. (author)

Probabilistic and deterministic soil structure interaction analysis including ground motion incoherency effects

International Nuclear Information System (INIS)

Elkhoraibi, T.; Hashemi, A.; Ostadan, F.

2014-01-01

Soil-structure interaction (SSI) is a major step for seismic design of massive and stiff structures typical of the nuclear facilities and civil infrastructures such as tunnels, underground stations, dams and lock head structures. Currently most SSI analyses are performed deterministically, incorporating limited range of variation in soil and structural properties and without consideration of the ground motion incoherency effects. This often leads to overestimation of the seismic response particularly the In-Structure-Response Spectra (ISRS) with significant impositions of design and equipment qualification costs, especially in the case of high-frequency sensitive equipment at stiff soil or rock sites. The reluctance to incorporate a more comprehensive probabilistic approach is mainly due to the fact that the computational cost of performing probabilistic SSI analysis even without incoherency function considerations has been prohibitive. As such, bounding deterministic approaches have been preferred by the industry and accepted by the regulatory agencies. However, given the recently available and growing computing capabilities, the need for a probabilistic-based approach to the SSI analysis is becoming clear with the advances in performance-based engineering and the utilization of fragility analysis in the decision making process whether by the owners or the regulatory agencies. This paper demonstrates the use of both probabilistic and deterministic SSI analysis techniques to identify important engineering demand parameters in the structure. A typical nuclear industry structure is used as an example for this study. The system is analyzed for two different site conditions: rock and deep soil. Both deterministic and probabilistic SSI analysis approaches are performed, using the program SASSI, with and without ground motion incoherency considerations. In both approaches, the analysis begins at the hard rock level using the low frequency and high frequency hard rock

Probabilistic and deterministic soil structure interaction analysis including ground motion incoherency effects

Energy Technology Data Exchange (ETDEWEB)

Elkhoraibi, T., E-mail: telkhora@bechtel.com; Hashemi, A.; Ostadan, F.

2014-04-01

Soil-structure interaction (SSI) is a major step for seismic design of massive and stiff structures typical of the nuclear facilities and civil infrastructures such as tunnels, underground stations, dams and lock head structures. Currently most SSI analyses are performed deterministically, incorporating limited range of variation in soil and structural properties and without consideration of the ground motion incoherency effects. This often leads to overestimation of the seismic response particularly the In-Structure-Response Spectra (ISRS) with significant impositions of design and equipment qualification costs, especially in the case of high-frequency sensitive equipment at stiff soil or rock sites. The reluctance to incorporate a more comprehensive probabilistic approach is mainly due to the fact that the computational cost of performing probabilistic SSI analysis even without incoherency function considerations has been prohibitive. As such, bounding deterministic approaches have been preferred by the industry and accepted by the regulatory agencies. However, given the recently available and growing computing capabilities, the need for a probabilistic-based approach to the SSI analysis is becoming clear with the advances in performance-based engineering and the utilization of fragility analysis in the decision making process whether by the owners or the regulatory agencies. This paper demonstrates the use of both probabilistic and deterministic SSI analysis techniques to identify important engineering demand parameters in the structure. A typical nuclear industry structure is used as an example for this study. The system is analyzed for two different site conditions: rock and deep soil. Both deterministic and probabilistic SSI analysis approaches are performed, using the program SASSI, with and without ground motion incoherency considerations. In both approaches, the analysis begins at the hard rock level using the low frequency and high frequency hard rock

Seismic Safety Program: Ground motion and structural response

Energy Technology Data Exchange (ETDEWEB)

1993-05-01

In 1964, John A. Blume & Associates Research Division (Blume) began a broad-range structural response program to assist the Nevada Operations Office of the US Atomic Energy Commission (AEC) in ensuring the continued safe conduct of underground nuclear detonation testing at the Nevada Test Site (NTS) and elsewhere. Blume`s long experience in earthquake engineering provided a general basis for the program, but much more specialized knowledge was required for the AEC`s purposes. Over the next 24 years Blume conducted a major research program to provide essential understanding of the detailed nature of the response of structures to dynamic loads such as those imposed by seismic wave propagation. The program`s results have been embodied in a prediction technology which has served to provide reliable advanced knowledge of the probable effects of seismic ground motion on all kinds of structures, for use in earthquake engineering and in building codes as well as for the continuing needs of the US Department of Energy`s Nevada Operations Office (DOE/NV). This report is primarily an accounting of the Blume work, beginning with the setting in 1964 and the perception of the program needs as envisioned by Dr. John A. Blume. Subsequent chapters describe the structural response program in detail and the structural prediction procedures which resulted; the intensive data acquisition program which, as is discussed at some length, relied heavily on the contributions of other consultant-contractors in the DOE/NV Seismic Safety Support Program; laboratory and field studies to provide data on building elements and structures subjected to dynamic loads from sources ranging from testing machines to earthquakes; structural response activities undertaken for testing at the NTS and for off-NTS underground nuclear detonations; and concluding with an account of corollary studies including effects of natural forces and of related studies on building response.

[Structural features of the pulp ground substance and its significance for acute and chronic pulpitis].

Science.gov (United States)

Davarashvili, Capital Ka Cyrillich; Dgebuadze, M; Melikadze, E; Zhvitiashvili, T; Jandieri, K

2012-12-01

The goal of the research study is an analysis of amorphous material, fibers and cellular elements of the dental pulp and evaluation of their interactions with a variety of fibrouse structures in the norm and inflammation. To solve this problem used dental pulp tissue bioptats (10 cases) of patients with acute and chronic pulpitis and 10 control specimens (orthodontic operations). The material was studied by histological and electron microscopic methods of research. It was determined that in acute pulpitis develope changes promoting dissociation of fibrouse and cellular structures of pulp components, and thus, loss the cementing binding role of the ground substance. Acute pulpitis characterized by the recruitment of mast cells. ; The reorganization and remodeling of ground substance associated with neoangiogenesis, especially capillaries, and the replacement of collagen fibers by the fibrouse structures are major points in chronic pulpitis.

Structure and properties of dichloro(L-proline)cadmium(II) hydrate

Energy Technology Data Exchange (ETDEWEB)

Yukawa, Yasuhiko; Inomata, Yoshie; Takeuchi, Toshio [Jochi Univ., Tokyo (Japan). Faculty of Science and Technology

1983-07-01

An X-ray diffraction study of the title complex has been carried out. The crystal is orthorhombic, with the space group P2/sub 1/2/sub 1/2/sub 1/; Z=4, a=10.021(3), b=13.562(4), c=7.298(3) A. Block-diagonal least-squares refinements have led to the final R value of 0.035. The structure is very similar to that of dichloro(4-hydroxy-L-proline) cadmium(II), which has a one-dimensional polymer bridged by chlorine atoms and a carboxyl group like an infinite folding screen. The thermal behavior is, however, different from that of dichloro(4-hydroxy-L-proline) cadmium(II). The difference is likely to be due to a difference of the crystal structure, whether it contains intermolecular hydrogen bonds or not.

Microstrip linear phase low pass filter based on defected ground structures for partial response modulation

DEFF Research Database (Denmark)

Cimoli, Bruno; Johansen, Tom Keinicke; Olmos, Juan Jose Vegas

2018-01-01

We report a high performance linear phase low pass filter (LPF) designed for partial response (PR) modulations. For the implementation, we adopted microstrip technology and a variant of the standard stepped‐impedance technique. Defected ground structures (DGS) are used for increasing the characte......We report a high performance linear phase low pass filter (LPF) designed for partial response (PR) modulations. For the implementation, we adopted microstrip technology and a variant of the standard stepped‐impedance technique. Defected ground structures (DGS) are used for increasing...... the characteristic impedance of transmission lines. Experimental results prove that the proposed filter can successfully modulate a non‐return‐to‐zero (NRZ) signal into a five levels PR one....

Structural Analysis and Seismic Design for Cold Neutron Laboratory Building

International Nuclear Information System (INIS)

Wu, Sangik; Kim, Y. K.; Kim, H. R.

2007-05-01

This report describes all the major results of the dynamic structural analysis and seismic design for the Cold Neutron Laboratory Building which is classified in seismic class II. The results are summarized of the ground response spectrum as seismic input loads, mechanical properties of subsoil, the buoyancy stability due to ground water, the maximum displacement of the main frame under the seismic load and the member design. This report will be used as a basic design report to maintenance its structural integrity in future

Crystal structure of the coordination polymer [FeIII2{PtII(CN4}3

Directory of Open Access Journals (Sweden)

Maksym Seredyuk

2015-01-01

Full Text Available The title complex, poly[dodeca-μ-cyanido-diiron(IIItriplatinum(II], [FeIII2{PtII(CN4}3], has a three-dimensional polymeric structure. It is built-up from square-planar [PtII(CN4]2− anions (point group symmetry 2/m bridging cationic [FeIIIPtII(CN4]+∞ layers extending in the bc plane. The FeII atoms of the layers are located on inversion centres and exhibit an octahedral coordination sphere defined by six N atoms of cyanide ligands, while the PtII atoms are located on twofold rotation axes and are surrounded by four C atoms of the cyanide ligands in a square-planar coordination. The geometrical preferences of the two cations for octahedral and square-planar coordination, respectively, lead to a corrugated organisation of the layers. The distance between neighbouring [FeIIIPtII(CN4]+∞ layers corresponds to the length a/2 = 8.0070 (3 Å, and the separation between two neighbouring PtII atoms of the bridging [PtII(CN4]2− groups corresponds to the length of the c axis [7.5720 (2 Å]. The structure is porous with accessible voids of 390 Å3 per unit cell.

Sampling of Stochastic Input Parameters for Rockfall Calculations and for Structural Response Calculations Under Vibratory Ground Motion

International Nuclear Information System (INIS)

M. Gross

2004-01-01

The purpose of this scientific analysis is to define the sampled values of stochastic (random) input parameters for (1) rockfall calculations in the lithophysal and nonlithophysal zones under vibratory ground motions, and (2) structural response calculations for the drip shield and waste package under vibratory ground motions. This analysis supplies: (1) Sampled values of ground motion time history and synthetic fracture pattern for analysis of rockfall in emplacement drifts in nonlithophysal rock (Section 6.3 of ''Drift Degradation Analysis'', BSC 2004 [DIRS 166107]); (2) Sampled values of ground motion time history and rock mechanical properties category for analysis of rockfall in emplacement drifts in lithophysal rock (Section 6.4 of ''Drift Degradation Analysis'', BSC 2004 [DIRS 166107]); (3) Sampled values of ground motion time history and metal to metal and metal to rock friction coefficient for analysis of waste package and drip shield damage to vibratory motion in ''Structural Calculations of Waste Package Exposed to Vibratory Ground Motion'' (BSC 2004 [DIRS 167083]) and in ''Structural Calculations of Drip Shield Exposed to Vibratory Ground Motion'' (BSC 2003 [DIRS 163425]). The sampled values are indices representing the number of ground motion time histories, number of fracture patterns and rock mass properties categories. These indices are translated into actual values within the respective analysis and model reports or calculations. This report identifies the uncertain parameters and documents the sampled values for these parameters. The sampled values are determined by GoldSim V6.04.007 [DIRS 151202] calculations using appropriate distribution types and parameter ranges. No software development or model development was required for these calculations. The calculation of the sampled values allows parameter uncertainty to be incorporated into the rockfall and structural response calculations that support development of the seismic scenario for the

Eight joint BER II and BESSY II users meeting. Abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2016-07-01

The following topics were dealt with: Accelerator operation and projecs, photon science and instrumentation at BESSY II, status of energy materials in-situ Lab at BESSY II, high resolution spectrometer PEAXIS at BESSY II, sample environment at BESSY II, molecular control mechanisms in the Brr2 RNA helicase for efficient and regulated splicing, the Li conversion reaction of 4CoFe{sub 2}O{sub 4} nanoparticles, buried interfaces in lithium ion batteries probed with HAXPES, ARPES studies of the STO(001) 2DEG, all-in/all-out magnetic order in rare earth iridates, oxygen reduction reaction on graphene in Li-air batteries, electronic order in high-T{sub c} superconductors, in-siu observation of novel switching phenomena in highly porous metal-organic frameworks, photoinduced demagnetization and insulator-to-metal transition in ferromagnetic insulating BaFeO{sub 3} thin films, ARPES measurement of the ferroelectric bulk Rashba system GeTe, bisphenol A on Cu(111) and Ag(111), reverse water-gas shift or Sabathier methanation on N(110), structural studies of molecular machines, multi-MHz time-of-flight electronic band-structure imaging of graphene on Ir(111), diffusion pathways in ion conductors, ground-state potential energy surfaces around selected atoms from resonant inelastic X-ray scattering, solar energy in an emerging country, in-situ neutron analysis of electrode materials for electrochemical energy storage, structure and transport properties in thermoelectric skutterudites, investigation of the interphase formation on solid lithium-ion conductors by neutron reflectometry, load partitin and damage characterization of cast AlSi{sub 12}CuMgNi alloy with ceramic reinforcement, methane adsorption in highly porous metal-organics, structure and magnetic interactions in dimer system Ba{sub (3-x)}Sr{sub x}Cr{sub 2}O{sub 8}, distribution of S in C-S nanocomposites, current status of HFM-EXED FACITIY; SPIN NEAMTICITY IN s=1/2 frustrated zigzag chaIN β-TeVO{sub 4}, electronic

Ground motion modeling of Hayward fault scenario earthquakes II:Simulation of long-period and broadband ground motions

Energy Technology Data Exchange (ETDEWEB)

Aagaard, B T; Graves, R W; Rodgers, A; Brocher, T M; Simpson, R W; Dreger, D; Petersson, N A; Larsen, S C; Ma, S; Jachens, R C

2009-11-04

We simulate long-period (T > 1.0-2.0 s) and broadband (T > 0.1 s) ground motions for 39 scenarios earthquakes (Mw 6.7-7.2) involving the Hayward, Calaveras, and Rodgers Creek faults. For rupture on the Hayward fault we consider the effects of creep on coseismic slip using two different approaches, both of which reduce the ground motions compared with neglecting the influence of creep. Nevertheless, the scenario earthquakes generate strong shaking throughout the San Francisco Bay area with about 50% of the urban area experiencing MMI VII or greater for the magnitude 7.0 scenario events. Long-period simulations of the 2007 Mw 4.18 Oakland and 2007 Mw 4.5 Alum Rock earthquakes show that the USGS Bay Area Velocity Model version 08.3.0 permits simulation of the amplitude and duration of shaking throughout the San Francisco Bay area, with the greatest accuracy in the Santa Clara Valley (San Jose area). The ground motions exhibit a strong sensitivity to the rupture length (or magnitude), hypocenter (or rupture directivity), and slip distribution. The ground motions display a much weaker sensitivity to the rise time and rupture speed. Peak velocities, peak accelerations, and spectral accelerations from the synthetic broadband ground motions are, on average, slightly higher than the Next Generation Attenuation (NGA) ground-motion prediction equations. We attribute at least some of this difference to the relatively narrow width of the Hayward fault ruptures. The simulations suggest that the Spudich and Chiou (2008) directivity corrections to the NGA relations could be improved by including a dependence on the rupture speed and increasing the areal extent of rupture directivity with period. The simulations also indicate that the NGA relations may under-predict amplification in shallow sedimentary basins.

Figure-ground mechanisms provide structure for selective attention.

Science.gov (United States)

Qiu, Fangtu T; Sugihara, Tadashi; von der Heydt, Rüdiger

2007-11-01

Attention depends on figure-ground organization: figures draw attention, whereas shapes of the ground tend to be ignored. Recent research has revealed mechanisms for figure-ground organization in the visual cortex, but how these mechanisms relate to the attention process remains unclear. Here we show that the influences of figure-ground organization and volitional (top-down) attention converge in single neurons of area V2 in Macaca mulatta. Although we found assignment of border ownership for attended and for ignored figures, attentional modulation was stronger when the attended figure was located on the neuron's preferred side of border ownership. When the border between two overlapping figures was placed in the receptive field, responses depended on the side of attention, and enhancement was generally found on the neuron's preferred side of border ownership. This correlation suggests that the neural network that creates figure-ground organization also provides the interface for the top-down selection process.

Synthesis and spectral characterization of mono- and binuclear copper(II) complexes derived from 2-benzoylpyridine-N4-methyl-3-thiosemicarbazone: Crystal structure of a novel sulfur bridged copper(II) box-dimer

Science.gov (United States)

Jayakumar, K.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra

2015-03-01

Mononuclear and binuclear copper(II) complexes of 2-benzoylpyridine-N4-methyl thiosemicarbazone (HL) were prepared and characterized by a variety of spectroscopic techniques. Structural evidence for the novel sulfur bridged copper(II) iodo binuclear complex is obtained by single crystal X-ray diffraction analysis. The complex [Cu2L2I2], a non-centrosymmetric box dimer, crystallizes in monoclinic C2/c space group and it was found to have distorted square pyramidal geometry (Addison parameter, τ = 0.238) with the square basal plane occupied by the thiosemicarbazone moiety and iodine atom whereas the sulfur atom from the other coordinated thiosemicarbazone moiety occupies the apical position. This is the first crystallographically studied system having non-centrosymmetrical entities bridged via thiolate S atoms with Cu(II)sbnd I bond. The tridentate thiosemicarbazone coordinates in mono deprotonated thionic tautomeric form in all complexes except in sulfato complex, [Cu(HL)(SO4)]·H2O (1) where it binds to the metal centre in neutral form. The magnetic moment values and the EPR spectral studies reflect the binuclearity of some of the complexes. The spin Hamiltonian and bonding parameters are calculated based on EPR studies. In all the complexes g|| > g⊥ > 2.0023 and the g values in frozen DMF are consistent with the dx2-y2 ground state. The thermal stabilities of some of the complexes were also determined.

Flow structure formation in an ion-unmagnetized plasma: The HYPER-II experiments

Science.gov (United States)

Terasaka, K.; Tanaka, M. Y.; Yoshimura, S.; Aramaki, M.; Sakamoto, Y.; Kawazu, F.; Furuta, K.; Takatsuka, N.; Masuda, M.; Nakano, R.

2015-01-01

The HYPER-II device has been constructed in Kyushu University to investigate the flow structure formation in an ion-unmagnetized plasma, which is an intermediate state of plasma and consists of unmagnetized ions and magnetized electrons. High density plasmas are produced by electron cyclotron resonance heating, and the flow field structure in an inhomogeneous magnetic field is investigated with a directional Langmuir probe method and a laser-induced fluorescence method. The experimental setup has been completed and the diagnostic systems have been installed to start the experiments. A set of coaxial electrodes will be introduced to control the azimuthal plasma rotation, and the effect of plasma rotation to generation of rectilinear flow structure will be studied. The HYPER-II experiments will clarify the overall flow structure in the inhomogeneous magnetic field and contribute to understanding characteristic feature of the intermediate state of plasma.

Synthesis, spectroscopic and DNA binding ability of Co{sup II}, Ni{sup II}, Cu{sup II} and Zn{sup II} complexes of Schiff base ligand (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol. X-ray crystal structure determination of cobalt (II) complex

Energy Technology Data Exchange (ETDEWEB)

Yarkandi, Naeema H. [Chemistry Department, Faculty of Applied Science, Umm Al–Qura University, Makkah (Saudi Arabia); El-Ghamry, Hoda A., E-mail: helghamrymo@yahoo.com [Chemistry Department, Faculty of Applied Science, Umm Al–Qura University, Makkah (Saudi Arabia); Chemistry Department, Faculty of Science, Tanta University, Tanta (Egypt); Gaber, Mohamed [Chemistry Department, Faculty of Science, Tanta University, Tanta (Egypt)

2017-06-01

A novel Schiff base ligand, (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol (HL), has been designed and synthesized in addition to its metal chelates [Co(L){sub 2}]·l2H{sub 2}O, [Ni(L)Cl·(H{sub 2}O){sub 2}].5H{sub 2}O, [Cu(L)Cl] and [Zn(L)(CH{sub 3}COO)]. The structures of the isolated compounds have been confirmed and identified by means of different spectral and physicochemical techniques including CHN analysis, {sup 1}H &{sup 13}C NMR, mass spectral analysis, molar conductivity measurement, UV–Vis, infrared, magnetic moment in addition to TGA technique. The infrared spectral results ascertained that the ligand acts as monobasic tridentate binding to the metal centers via deprotonated hydroxyl oxygen, azomethine and imidazole nitrogen atoms. The UV–Vis, magnetic susceptibility and molar conductivity data implied octahedral geometry for Co(II) & Ni(II) complexes, tetrahedral for Zn(II) complex and square planar for Cu(II) complex. X-ray structural analysis of Co(II) complex 1 has been reported and discussed. Moreover, the type of interaction between the ligand & its complexes towards salmon sperm DNA (SS-DNA) has been examined by the measurement of absorption spectra and viscosity which confirmed that the ligand and its complexes interact with DNA via intercalation interaction as concluded from the values of binding constants (K{sub b}). - Highlights: • Synthesis of Co{sup II}, Ni{sup II}, Cu{sup II} and Zn{sup II} complexes of the Schiff base ligand based on 2-(aminomethyl)benzimidazole moiety. • The constitutions and structures of the ligand and complexes were elucidated. • Molecular structure of Co{sup II} complex was confirmed by single crystal X-ray diffraction method. • The ligand and its complexes interact with SS-DNA via intercalation mods.

Influence of ground water on soil-structure interaction

International Nuclear Information System (INIS)

Costantino, C.J.; Lung, R.H.; Graves, H.L.

1987-01-01

The study of structural response to seismic inputs has been extensively studied and, particularly with the advent of the growth of digital computer capability, has lead to the development of numerical methods of analysis which are used as standard tools for the design of structures. One aspect of the soil-structure interaction (SSI) process which has not been developed to the same degree of sophistication is the impact of ground water (or pure water) on the response of the soil-structure system. There are very good reasons for his state of affairs, however, not the least of which is the difficulty of incorporating the true constitutive behavior of saturated soils into the analysis. At the large strain end of the spectrum, the engineer is concerned with the potential development of failure conditions under the structure, and is typically interested in the onset of liquefaction conditions. The current state of the art in this area is to a great extent based on empirical methods of analysis which were developed from investigations of limited failure data from specific sites around the world. Since it is known that analytic solutions are available for only the simplest of configurations, a numerical finite element solution process was developed. Again, in keeping with typical SSI analyses, in order to make the finite element approach yield resonable results, a comparable transmitting boundary formulation was included in the development. The purpose of the transmitting boundary is, of course, to allow for the treatment of extended soil/water half-space problems. For the calculations presented herein, a simple one dimensional transmitting boundary model was developed and utilized

Syntheses, Crystal Structures and Thermal Behaviors of Two Supramolecular Salamo-Type Cobalt(II and Zinc(II Complexes

Directory of Open Access Journals (Sweden)

Gang Li

2017-07-01

Full Text Available This paper reports the syntheses of two new complexes, [Co(L1(H2O2] (1 and [{Zn(L2(μ-OAcZn(n-PrOH}2] (2, from asymmetric halogen-substituted Salamo-type ligands H2L1 and H3L2, respectively. Investigation of the crystal structure of complex 1 reveals that the complex includes one Co(II ion, one (L12− unit and two coordinated water molecules. Complex 1 shows slightly distorted octahedral coordination geometry, forming an infinite 2D supramolecular structure by intermolecular hydrogen bond and π–π stacking interactions. Complex 2 contains four Zn(IIions, two completely deprotonated (L23− moieties, two coordinated μ-OAc− ions and n-propanol molecules. The Zn(II ions in complex 2 display slightly distorted trigonal bipyramidal or square pyramidal geometries.

Sustainability of outdoor school ground smoking bans at secondary schools: a mixed-method study.

Science.gov (United States)

Rozema, A D; Mathijssen, J J P; Jansen, M W J; van Oers, J A M

2018-02-01

Although increasing numbers of countries are implementing outdoor school ground smoking bans at secondary schools, less attention is paid to the post-implementation period even though sustainability of a policy is essential for long-term effectiveness. Therefore, this study assesses the level of sustainability and examines perceived barriers/facilitators related to the sustainability of an outdoor school ground smoking ban at secondary schools. A mixed-method design was used with a sequential explanatory approach. In phase I, 438 online surveys were conducted and in phase II, 15 semi-structured interviews were obtained from directors of relevant schools. ANOVA (phase I) and a thematic approach (phase II) were used to analyze data. Level of sustainability of an outdoor school ground smoking ban was high at the 48% Dutch schools with an outdoor smoking ban. Furthermore, school size was significantly associated with sustainability. The perceived barriers/facilitators fell into three categories: (i) smoking ban implementation factors (side-effects, enforcement, communication, guidelines and collaboration), (ii) school factors (physical environment, school culture, education type and school policy) and (iii) community environment factors (legislation and social environment). Internationally, the spread of outdoor school ground smoking bans could be further promoted. Once implemented, the ban has become 'normal' practice and investments tend to endure. Moreover, involvement of all staff is important for sustainability as they function as role models, have an interrelationship with students, and share responsibility for enforcement. These findings are promising for the sustainability of future tobacco control initiatives to further protect against the morbidity/mortality associated with smoking. © The Author 2017. Published by Oxford University Press on behalf of the European Public Health Association.

The settlement of foundation of existing large structure on soft ground and investigation of its allowable settlement

International Nuclear Information System (INIS)

Okamoto, Toshiro

1987-01-01

In our laboratory a study of siting on quarternary ground is followed to make possible to construct a nuclear power plant on soil ground in Japan, a important subject is to understand bearing capacity, settlement and seismic responce of foundation. So measured data are collected about relation between ground and type of foundation, total settlement and differential settlement of already constructed large structures, and it is done to investigate the real condition and to examine allowable settlement. Investigated structures are mainly foreign nuclear power plant and domestic and foreign high buildings. The higher buildings are, the more raft foundation are for type of foundation and the higher contact pressure are to similar to a nuclear power plant. So discussion is done about mainly raft foundation. It is found that some measured maximum total settlements are larger than already proposed allowable values. So empirical allowable settlement is derived from measured values considering the effect of the width of base slab, contact pressure and foundation ground. Differential settlement is investigated about relation to maximum total settlement, and is formulated considering the width and the rigidity of base slab. Beside the limit of differential settlement is obtained as foundation is damaged, and the limit of maximum total settlement is obtained by combining this and above mentioned relation. Obtained allowable value is largely influenced by the width of base slab, and becomes less severe than some already proposed values. So it is expected that deformation of foundation is rationaly investigated when large structure as nuclear power plant is constructed on soft ground. (author)

Seismic resistance evaluation methods for foundation ground of nuclear power plant and for critical civil engineering structures

International Nuclear Information System (INIS)

1985-01-01

The Ground Integrity Subcommittee was established in September, 1979, in the Japan Society of Civil Engineers to systematize the relation among the survey, test, analysis, evaluation, design and construction of diverse geological features and grounds. The results were put in order in March, 1984. In this paper, the main results of examination by the Aseismatic Design Working Group consisted of three groups are reported. It was decided to evaluate the aseismatic capability of the foundation ground and surrounding slopes of reactor buildings and important outdoor structures so that the function of supporting buildings and installations is not impaired, and that influence is not exerted on the maintenance of the function of buildings and installations. The basic concept, design earthquake force and standard values for the evaluation of the aseismatic stability of the foundation ground and surrounding slopes of reactor buildings are described. The basic concept and the comparison of various methods of aseismatic calculation are reported regarding the evaluation of the aseismatic stability of important outdoor structures in civil engineering field. (Kako, I.)

Using Ground Radar Interferometry for Precise Determining of Deformation and Vertical Deflection of Structures

Science.gov (United States)

Talich, Milan

2017-12-01

The paper describes possibilities of the relatively new technics - ground based radar interferometry for precise determining of deformation of structures. Special focus on the vertical deflection of bridge structures and on the horizontal movements of high-rise buildings and structural objects is presented. The technology of ground based radar interferometry can be used in practice to the contactless determination of deformations of structures with accuracy up to 0.01 mm in real time. It is also possible in real time to capture oscillations of the object with a frequency up to 50 Hz. Deformations can be determined simultaneously in multiple places of the object, for example a bridge structure at points distributed on the bridge deck at intervals of one or more meters. This allows to obtain both overall and detailed information about the properties of the structure during the dynamic load and monitoring the impact of movements either individual vehicles or groups. In the case of high-rise buildings, it is possible to monitor the horizontal vibration of the whole object at its different height levels. It is possible to detect and determine the compound oscillations that occur in some types of buildings. Then prevent any damage or even disasters in these objects. In addition to the necessary theory basic principles of using radar interferometry for determining of deformation of structures are given. Practical examples of determining deformation of bridge structures, water towers reservoirs, factory chimneys and wind power plants are also given. The IBIS-S interferometric radar of the Italian IDS manufacturer was used for the measurements.

Sufficiency Grounded as Sufficiently Free: A Reply to Shlomi Segall

DEFF Research Database (Denmark)

Nielsen, Lasse

2016-01-01

be grounded on (i) any personal value, nor (ii) any impersonal value. Consequently, sufficientarianism is groundless. This article contains a rejoinder to this critique. Its main claim is that the value of autonomy holds strong potential for grounding sufficiency. It argues, firstly, that autonomy carries...... both personal value for its recipient as well as impersonal value, and that both of these values are suitable for grounding sufficiency. It thus follows that we should reject both (i) and (ii). Secondly, although autonomy is presumably the strongest candidate for grounding sufficiency, the article...... provides some counterargument to Segall’s rejection of the other candidates—the impersonal value of virtue; the personal value for the allocator; and the personal value for others. If the arguments are sound, they show that we need not worry about sufficientarianism being groundless....

FASTRAN II - FATIGUE CRACK GROWTH STRUCTURAL ANALYSIS (IBM PC VERSION)

Science.gov (United States)

Newman, J. C.

1994-01-01

Predictions of fatigue crack growth behavior can be made with the Fatigue Crack Growth Structural Analysis (FASTRAN II) computer program. As cyclic loads are applied to a selected crack configuration with an initial crack size, FASTRAN II predicts crack growth as a function of cyclic load history until either a desired crack size is reached or failure occurs. FASTRAN II is based on plasticity-induced crack-closure behavior of cracks in metallic materials and accounts for load-interaction effects, such as retardation and acceleration, under variable-amplitude loading. The closure model is based on the Dugdale model with modifications to allow plastically deformed material to be left along the crack surfaces as the crack grows. Plane stress and plane strain conditions, as well as conditions between these two, can be simulated in FASTRAN II by using a constraint factor on tensile yielding at the crack front to approximately account for three-dimensional stress states. FASTRAN II contains seventeen predefined crack configurations (standard laboratory fatigue crack growth rate specimens and many common crack configurations found in structures); and the user can define one additional crack configuration. The baseline crack growth rate properties (effective stress-intensity factor against crack growth rate) may be given in either equation or tabular form. For three-dimensional crack configurations, such as surface cracks or corner cracks at holes or notches, the fatigue crack growth rate properties may be different in the crack depth and crack length directions. Final failure of the cracked structure can be modelled with fracture toughness properties using either linear-elastic fracture mechanics (brittle materials), a two-parameter fracture criterion (brittle to ductile materials), or plastic collapse (extremely ductile materials). The crack configurations in FASTRAN II can be subjected to either constant-amplitude, variable-amplitude or spectrum loading. The applied

Syntheses, crystal structures and spectroscopic properties of copper(II)-tetracyanometallate(II) complexes with nicotinamide and isonicotinamide ligands

Science.gov (United States)

Sayın, Elvan; Kürkçüoğlu, Güneş Süheyla; Yeşilel, Okan Zafer; Hökelek, Tuncer

2015-09-01

Four new one dimensional (1D) cyanide complexes, namely {[Cu(NH3)4(μ-na)][M‧(CN)4]}n and {[Cu(NH3)2(ina)2M‧(μ-CN)2(CN)2]}n (M‧(II) = Pd (1 and 3) or Pt (2 and 4), na:nicotinamide and ina:isonicotinamide) have been synthesized and characterized by elemental, spectral (FT-IR and Raman), and thermal (TG, DTG and DTA) analyses. The crystal structures of complexes 1-3 have been determined by single crystal X-ray diffraction technique. In complexes 1 and 2, na ligand is coordinated to the adjacent Cu(II) ions as a bridging ligand, giving rise to 1D linear cationic chain and the [M‧(CN)4]2- anionic complex acts as a counter ion. Complexes 3 and 4 are also 1D linear chain in which two cyanide ligands bridged neighboring M‧(II) and Cu(II) ions, while ina ligand is coordinated Cu(II) ion through nitrogen atom of pyridine ring. In the complexes, the Cu(II) ions adopt distorted octahedral geometries, while M‧(II) ions are four coordinated with four carbon atoms from cyanide ligands in square-planar geometries. The adjacent chains are further stacked through intermolecular hydrogen bond, Nsbnd Hṡṡṡπ, Csbnd H⋯M‧ and M‧⋯π interactions to form 3D supramolecular networks. Vibration assignments are given for all the observed bands. In addition, thermal stabilities of the compounds are also discussed.

Structure and membrane organization of photosystem II in green plants

NARCIS (Netherlands)

Hankamer, B; Barber, J; Boekema, EJ

1997-01-01

Photosystem II (PSII) is the pigment protein complex embedded in the thylakoid membrane of higher plants, algae, and cyanobacteria that uses solar energy to drive the photosynthetic water-splitting reaction. This chapter reviews the primary, secondary, tertiary, and quaternary structures of PSII as

Thermal-structural response of EBR-II major components under reactor operational transients

International Nuclear Information System (INIS)

Chang, L.K.; Lee, M.J.

1983-01-01

Until recently, the LMFBR safety research has been focused primarily on severe but highly unlikely accident, such as hypothetical-core-disruptive accidents (HCDA's), and not enough attention has been given to accident prevention, which is less severe but more likely sequence. The objective of the EBR-II operational reliability testing (ORT) is to demonstrate that the reactor can be designed and operated to prevent accident. A series of mild duty cycles and overpower transients were designed for accident prevention tests. An assessment of the EBR-II major plant components has been performed to assure structural integrity of the reactor plant for the ORT program. In this paper, the thermal-structural response and structural evaluation of the reactor vessel, the reactor-vessel cover, the intermediate heat exchanger (IHX) and the superheater are presented

Synthesis and spectral characterization of mono- and binuclear copper(II) complexes derived from 2-benzoylpyridine-N⁴-methyl-3-thiosemicarbazone: crystal structure of a novel sulfur bridged copper(II) box-dimer.

Science.gov (United States)

Jayakumar, K; Sithambaresan, M; Aiswarya, N; Kurup, M R Prathapachandra

2015-03-15

Mononuclear and binuclear copper(II) complexes of 2-benzoylpyridine-N(4)-methyl thiosemicarbazone (HL) were prepared and characterized by a variety of spectroscopic techniques. Structural evidence for the novel sulfur bridged copper(II) iodo binuclear complex is obtained by single crystal X-ray diffraction analysis. The complex [Cu2L2I2], a non-centrosymmetric box dimer, crystallizes in monoclinic C2/c space group and it was found to have distorted square pyramidal geometry (Addison parameter, τ=0.238) with the square basal plane occupied by the thiosemicarbazone moiety and iodine atom whereas the sulfur atom from the other coordinated thiosemicarbazone moiety occupies the apical position. This is the first crystallographically studied system having non-centrosymmetrical entities bridged via thiolate S atoms with Cu(II)I bond. The tridentate thiosemicarbazone coordinates in mono deprotonated thionic tautomeric form in all complexes except in sulfato complex, [Cu(HL)(SO4)]·H2O (1) where it binds to the metal centre in neutral form. The magnetic moment values and the EPR spectral studies reflect the binuclearity of some of the complexes. The spin Hamiltonian and bonding parameters are calculated based on EPR studies. In all the complexes g||>g⊥>2.0023 and the g values in frozen DMF are consistent with the d(x2-y2) ground state. The thermal stabilities of some of the complexes were also determined. Copyright © 2014 Elsevier B.V. All rights reserved.

Structure and diversity of ground mesofauna inUlmus and Populus consortia in the industrial areas of mining and smelting complex of krivyi rig basin

Directory of Open Access Journals (Sweden)

V. V. Kachinskaya

2010-05-01

Full Text Available The structure and biological diversity of ground mesofauna on a consortium level of organisation of ecosystems are considered. Indicators of structural organisation and biodiversity of ground mesofauna were analised in Ulmus and Populus consortia in the conditions of industrial territories of mining and smelting complex of Krivyi Rig Basin. It is established that taxonomical structure of ground mesofauna is characterised by insignificant number and quantity of taxonomical groups. Prevalence of hortobionts and herpetobionts in morpho-ecological structure of the community testifies to their attachment to consortium’s determinants and influence of steppe climate on its structure. Dominance of phytophages and polyphages in trophic structure is caused by a combination of consortium determinants specificity and «a zone source» of the fauna formations. The structural organisation of ground mesofauna in consortia of Ulmus and Populus in the conditions of industrial sites is characterised by simplified taxonomical structure with low biodiversity at all levels.

Energy Levels, wavelengths and hyperfine structure measurements of Sc II

Science.gov (United States)

Hala, Fnu; Nave, Gillian

2018-01-01

Lines of singly ionized Scandium (Sc II) along with other Iron group elements have been observed [1] in the region surrounding the massive star Eta Carinae [2,3] called the strontium filament (SrF). The last extensive analysis of Sc II was the four-decade old work of Johansson & Litzen [4], using low-resolution grating spectroscopy. To update and extend the Sc II spectra, we have made observation of Sc/Ar, Sc/Ne and Sc/Ge/Ar hollow cathode emission spectrum on the NIST high resolution FT700 UV/Vis and 2 m UV/Vis/IR Fourier transform spectrometers (FTS). More than 850 Sc II lines have been measured in the wavelength range of 187 nm to 3.2 μm. connecting a total of 152 energy levels. The present work also focuses to resolve hyperfine structure (HFS) in Sc II lines. We aim to obtain accurate transition wavelengths, improved energy levels and HFS constants of Sc II. The latest results from work in progress will be presented.Reference[1] Hartman H, Gull T, Johansson S and Smith N 2004 Astron. Astrophys. 419 215[2] Smith N, Morse J A and Gull T R 2004 Astrophys. J. 605 405[3] Davidson K and Humphreys R M 1997 Annu. Rev. Astron. Astrophys. 35[4] Johansson S and Litzén U 1980 Phys. Scr. 22 49

Electrochemical, spectroscopic, and photophysical properties of structurally diverse polyazine-bridged Ru(II),Pt(II) and Os(II),Ru(II),Pt(II) supramolecular motifs.

Science.gov (United States)

Knoll, Jessica D; Arachchige, Shamindri M; Wang, Guangbin; Rangan, Krishnan; Miao, Ran; Higgins, Samantha L H; Okyere, Benjamin; Zhao, Meihua; Croasdale, Paul; Magruder, Katherine; Sinclair, Brian; Wall, Candace; Brewer, Karen J

2011-09-19

Five new tetrametallic supramolecules of the motif [{(TL)(2)M(dpp)}(2)Ru(BL)PtCl(2)](6+) and three new trimetallic light absorbers [{(TL)(2)M(dpp)}(2)Ru(BL)](6+) (TL = bpy = 2,2'-bipyridine or phen = 1,10-phenanthroline; M = Ru(II) or Os(II); BL = dpp = 2,3-bis(2-pyridyl)pyrazine, dpq = 2,3-bis(2-pyridyl)quinoxaline, or bpm = 2,2'-bipyrimidine) were synthesized and their redox, spectroscopic, and photophysical properties investigated. The tetrametallic complexes couple a Pt(II)-based reactive metal center to Ru and/or Os light absorbers through two different polyazine BL to provide structural diversity and interesting resultant properties. The redox potential of the M(II/III) couple is modulated by M variation, with the terminal Ru(II/III) occurring at 1.58-1.61 V and terminal Os(II/III) couples at 1.07-1.18 V versus Ag/AgCl. [{(TL)(2)M(dpp)}(2)Ru(BL)](PF(6))(6) display terminal M(dπ)-based highest occupied molecular orbitals (HOMOs) with the dpp(π*)-based lowest unoccupied molecular orbital (LUMO) energy relatively unaffected by the nature of BL. The coupling of Pt to the BL results in orbital inversion with localization of the LUMO on the remote BL in the tetrametallic complexes, providing a lowest energy charge separated (CS) state with an oxidized terminal Ru or Os and spatially separated reduced BL. The complexes [{(TL)(2)M(dpp)}(2)Ru(BL)](6+) and [{(TL)(2)M(dpp)}(2)Ru(BL)PtCl(2)](6+) efficiently absorb light throughout the UV and visible regions with intense metal-to-ligand charge transfer (MLCT) transitions in the visible at about 540 nm (M = Ru) and 560 nm (M = Os) (ε ≈ 33,000-42,000 M(-1) cm(-1)) and direct excitation to the spin-forbidden (3)MLCT excited state in the Os complexes about 720 nm. All the trimetallic and tetrametallic Ru-based supramolecular systems emit from the terminal Ru(dπ)→dpp(π*) (3)MLCT state, λ(max)(em) ≈ 750 nm. The tetrametallic systems display complex excited state dynamics with quenching of the (3)MLCT emission at

I. Structural studies of termite defense secretions. II. Structural studies of natural products of marine nudibranchs. [Kempene, tridachione

Energy Technology Data Exchange (ETDEWEB)

Solheim, B.A.

1977-12-01

Three families of termites have the ability to produce a sticky secretion that envelopes and immobilizes the enemy. In the family Termitidae the secretion contains the diterpenoid hydrocarbons, kempene I and kempene II. The molecular structure of kempene II from the termite, Nasutitermes kempae, is described in detail. Another species of termite, Cubitermes umbratus, contained the diterpenoid hydrocarbon biflora-4,10-19,15-triene in the secretion and this compound is described. Studies were also conducted on the mucous secretion of the pedal gland of the marine nudibranch, Tidachiella diomedea. Tridachione, a substituted ..gamma..-pyrone, was isolated in the pure state and its molecular structure is described in detail. (HLW)

Structural Design and Response in Collision and Grounding

DEFF Research Database (Denmark)

Brown, Alan; Tikka, Kirsi; Daidola, John C.

2000-01-01

on Collision and Grounding of Ships, to be held in Copenhagen, July 1-3,2001, will also present and discuss many of the results of this panel and other related research. The paper discusses four primary areas of panel work: collision and grounding models, data, accident scenarios and design applications....... A probabilistic framework for assessing the crashworthiness of ships is presented. Results obtained from various grounding and collision models are compared to validating cases and to each other. Data necessary for proper model validation and probabilistic accident scenario development are identified. Deformable...

Terrestrial laser scanning to quantify above-ground biomass of structurally complex coastal wetland vegetation

Science.gov (United States)

Owers, Christopher J.; Rogers, Kerrylee; Woodroffe, Colin D.

2018-05-01

Above-ground biomass represents a small yet significant contributor to carbon storage in coastal wetlands. Despite this, above-ground biomass is often poorly quantified, particularly in areas where vegetation structure is complex. Traditional methods for providing accurate estimates involve harvesting vegetation to develop mangrove allometric equations and quantify saltmarsh biomass in quadrats. However broad scale application of these methods may not capture structural variability in vegetation resulting in a loss of detail and estimates with considerable uncertainty. Terrestrial laser scanning (TLS) collects high resolution three-dimensional point clouds capable of providing detailed structural morphology of vegetation. This study demonstrates that TLS is a suitable non-destructive method for estimating biomass of structurally complex coastal wetland vegetation. We compare volumetric models, 3-D surface reconstruction and rasterised volume, and point cloud elevation histogram modelling techniques to estimate biomass. Our results show that current volumetric modelling approaches for estimating TLS-derived biomass are comparable to traditional mangrove allometrics and saltmarsh harvesting. However, volumetric modelling approaches oversimplify vegetation structure by under-utilising the large amount of structural information provided by the point cloud. The point cloud elevation histogram model presented in this study, as an alternative to volumetric modelling, utilises all of the information within the point cloud, as opposed to sub-sampling based on specific criteria. This method is simple but highly effective for both mangrove (r2 = 0.95) and saltmarsh (r2 > 0.92) vegetation. Our results provide evidence that application of TLS in coastal wetlands is an effective non-destructive method to accurately quantify biomass for structurally complex vegetation.

Waste disposal of HYLIFE II structure: Issues and assessment

International Nuclear Information System (INIS)

Lee, J.D.

1992-01-01

Initial analysis has shown that by using 304 stainless steel (SS) a significant fraction (92 wt%) of the structural mass in the initial HYLIFE-II design could be disposed of by shallow burial. And if all the structural components are mixed together and treated as one entity, all of it could be disposed of by shallow burial. Two other types of SSs assessed, Mn-modified 316 and Prime Candidate Alloy (PCA), were found to require disposal by deep geologic burial of most of the structural mass. The presents of Nb and Mo in Mn-modified 316 and Prime Candidate Alloy (PCA), were found to dominate the generation of long term wastes produced and their presence should be avoided

DNA structure in human RNA polymerase II promoters

DEFF Research Database (Denmark)

Pedersen, Anders Gorm; Baldi, Pierre; Chauvin, Yves

1998-01-01

with a very low level of sequence similarity. The sequences, which include both TATA-containing and TATA-less promoters, are aligned by hidden Markov models. Using three different models of sequence-derived DNA bendability, the aligned promoters display a common structural profile with bendability being low...... protein in a manner reminiscent of DNA in a nucleosome. This notion is further supported by the finding that the periodic bendability is caused mainly by the complementary triplet pairs CAG/CTG and GGC/GCC, which previously have been found to correlate with nucleosome positioning. We present models where......The fact that DNA three-dimensional structure is important for transcriptional regulation begs the question of whether eukaryotic promoters contain general structural features independently of what genes they control. We present an analysis of a large set of human RNA polymerase II promoters...

Structure of the P{sub II} signal transduction protein of Neisseria meningitidis at 1.85 Å resolution

Energy Technology Data Exchange (ETDEWEB)

Nichols, Charles E. [Division of Structural Biology, Henry Wellcome Building for Genomic Medicine, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Sainsbury, Sarah; Berrow, Nick S.; Alderton, David [The Oxford Protein Production Facility, Henry Wellcome Building for Genomic Medicine, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Saunders, Nigel J. [The Bacterial Pathogenesis and Functional Genomics Group, The Sir William Dunn School of Pathology, University of Oxford, South Parks Road, Oxford OX1 3RE (United Kingdom); Stammers, David K. [Division of Structural Biology, Henry Wellcome Building for Genomic Medicine, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); The Oxford Protein Production Facility, Henry Wellcome Building for Genomic Medicine, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Owens, Raymond J., E-mail: ray@strubi.ox.ac.uk [The Oxford Protein Production Facility, Henry Wellcome Building for Genomic Medicine, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Division of Structural Biology, Henry Wellcome Building for Genomic Medicine, University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom)

2006-06-01

The structure of the P{sub II} signal transduction protein of N. meningitidis at 1.85 Å resolution is described. The P{sub II} signal transduction proteins GlnB and GlnK are implicated in the regulation of nitrogen assimilation in Escherichia coli and other enteric bacteria. P{sub II}-like proteins are widely distributed in bacteria, archaea and plants. In contrast to other bacteria, Neisseria are limited to a single P{sub II} protein (NMB 1995), which shows a high level of sequence identity to GlnB and GlnK from Escherichia coli (73 and 62%, respectively). The structure of the P{sub II} protein from N. meningitidis (serotype B) has been solved by molecular replacement to a resolution of 1.85 Å. Comparison of the structure with those of other P{sub II} proteins shows that the overall fold is tightly conserved across the whole population of related proteins, in particular the positions of the residues implicated in ATP binding. It is proposed that the Neisseria P{sub II} protein shares functions with GlnB/GlnK of enteric bacteria.

Adaptive Magnetorheological Isolator for Ground Support Equipment, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — The minimization of vibration-induced damage has become a critical issue for rocket launch ground support electronics (GSE). In particular, the effect of high...

Inductance calculation of 3D superconducting structures with ground plane

International Nuclear Information System (INIS)

Teh, C.H.; Kitagawa, M.; Okabe, Y.

1999-01-01

An inductance calculation method, which is based on calculating the current distribution of a fluxoid-trapped superconducting loop by using the expression of momentum and the Maxwell equations, is reconstructed to enable calculation of arbitrary 3D structures which have a ground plane (GP). Calculation of the mutual inductances of the superconductor system is also incorporated into the algorithm. The method of images is used to save computational resources, and the mirror plane is demonstrated to be just at the effective penetration depth below the upper boundary of the GP. The algorithm offers accurate results with reasonable calculation time. (author)

Structural diversity and fluorescence properties of three 2-sulfoterephthalate Cd{sup II}/Zn{sup II} coordination polymers employing 1,4-bisbenzimidazole

Energy Technology Data Exchange (ETDEWEB)

Ren, Yixia, E-mail: renyixia1@163.com; Chai, Hongmei; Tang, Long; Hou, Xiangyang; Wang, Jijiang

2016-02-15

Three novel coordination polymers, namely, [Cd(2-Hstp)(1,4-bbi)(H{sub 2}O){sub 2}]·3H{sub 2}O (1), [Cd{sub 1.5}(2-stp)(1,4-bbi)(H{sub 2}O){sub 2}]·H{sub 2}O (2) and [Zn{sub 2}(2-stp)(μ{sub 2}-OH)(1,4-bbi){sub 1.5}(H{sub 2}O)]·6H{sub 2}O (3) (2-H{sub 3}stp is equal to 2-sulfoterephthalate and 1,4-bisbenzimidazole is equal to 1,4-bbi), have been synthesized by hydrothermal reaction. The structural analyses show that 1 and 2 possess different structural features despite the same raw materials, which are 1D chain structure featuring 6-member-water H-bonds cluster and 3D bbi-pillared wavy-like layer framework, respectively. As changing the metal ion to zinc ion, 3 exhibits 3D stp-pillared layer architecture, which discovers the effect of the central metal ions on the formation of metal–organic frameworks. The fluorescence studies show that the emissions of the coordination polymers are attributed to the ligand π–π* transition, which means they could be potential fluorescence materials. - Graphical abstract: Three new Cd{sup II}/Zn{sup II} 2-sulfoterephthalate (2-H{sub 3}stp) complexes with 1,4-bisbenzimidazole (1,4-bbi) are described. Complex 1 exhibits one-dimensional chain-like structure, 2 is a three-dimensional bbi-pillared wavy-like layer framework, while 3 is a three-dimensional stp-pillared layer architecture. Fluorescence spectra exhibit the π–π* transition of two organic ligands. - Highlights: • Three Cd{sup II}/Mn{sup II} 2-sulfoterephthalate complexes containing 1,4-bisbenzimidazole. • Different structural features despite the same raw materials for 1 and 2. • Fluorescence spectra exhibit the π–π* transition of organic ligands.

A large 3D physical model: a tool to investigate the consequences of ground movements on the surface structures

Directory of Open Access Journals (Sweden)

Hor B.

2010-06-01

Full Text Available Soil subsidence of various extend and amplitude can result from the failure of underground cavities, whether natural (for example caused by the dissolution of rocks by underground water flow or man-made (such as mines. The impact of the ground movements on existing structures (houses, buildings, bridges, etc… is generally dramatic. A large small-scale physical model is developed in order to improve our understanding of the behaviour of the building subjected to ground subsidence or the collapse of cavities. We focus on the soil-structure interaction and on the mitigation techniques allowing reducing the vulnerability of the buildings (structures.

Development of advanced earthquake resistant performance verification on reinforced concrete underground structure. Pt. 2. Verification of the ground modeling methods applied to non-linear soil-structure interaction analysis

International Nuclear Information System (INIS)

Kawai, Tadashi; Kanatani, Mamoru; Ohtomo, Keizo; Matsui, Jun; Matsuo, Toyofumi

2003-01-01

In order to develop an advanced verification method for earthquake resistant performance on reinforced concrete underground structures, the applicability of two different types of soil modeling methods in numerical analysis were verified through non-linear dynamic numerical simulations of the large shaking table tests conducted using the model comprised of free-field ground or soils and a reinforced concrete two-box culvert structure system. In these simulations, the structure was modeled by a beam type element having a tri-linear curve of the relations between curvature and flexural moment. The soil was modeled by the Ramberg-Osgood model as well as an elasto-plastic constitutive model. The former model only employs non-linearity of shear modulus regarding strain and initial stress conditions, whereas the latter can express non-linearity of shear modulus caused by changes of mean effective stress during ground excitation and dilatancy of ground soil. Therefore the elasto-plastic constitutive model could precisely simulate the vertical acceleration and displacement response on ground surface, which were produced by the soil dilations during a shaking event of a horizontal base input in the model tests. In addition, the model can explain distinctive dynamic earth pressure acting on the vertical walls of the structure which was also confirmed to be related to the soil dilations. However, since both these modeling methods could express the shear force on the upper slab surface of the model structure, which plays the predominant role on structural deformation, these modeling methods were applicable equally to the evaluation of seismic performance similar to the model structure of this study. (author)

Investigation of detergent effects on the solution structure of spinach Light Harvesting Complex II

Energy Technology Data Exchange (ETDEWEB)

Cardoso, Mateus B; Smolensky, Dmitriy; Heller, William T; O' Neill, Hugh, E-mail: hellerwt@ornl.gov, E-mail: oneillhm@ornl.gov [Center for Structural Molecular Biology, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

2010-11-01

The properties of spinach light harvesting complex II (LHC II), stabilized in the detergents Triton X-100 (TX100) and n-Octyl-{beta}-D-Glucoside (BOG), were investigated by small-angle neutron scattering (SANS). The LHC II-BOG scattering curve overlaid well with the theoretical scattering curve generated from the crystal structure of LHC II indicating that the protein preparation was in its native functional state. On the other hand, the simulated LHC II curve deviated significantly from the LHC II-TX100 experimental data. Analysis by circular dichroism spectroscopy supported the SANS analysis and showed that LHC II-TX100 is inactivated. This investigation has implications for extracting and stabilizing photosynthetic membrane proteins for the development of biohybrid photoconversion devices.

NMR structures of anti-HIV D-peptides derived from the N-terminus of viral chemokine vMIP-II

International Nuclear Information System (INIS)

Mori, Mayuko; Liu Dongxiang; Kumar, Santosh; Huang Ziwei

2005-01-01

The viral macrophage inflammatory protein-II (vMIP-II) encoded by Kaposi's sarcoma-associated herpesvirus has unique biological activities in that it blocks the cell entry by several different human immunodeficiency virus type 1 (HIV-1) strains via chemokine receptors including CXCR4 and CCR5. In this paper, we report the solution structure of all-D-amino acid peptides derived from the N-terminus of vMIP-II, which have been shown to have strong CXCR4 binding activity and potently inhibit HIV-1 entry via CXCR4, by using long mixing time two-dimensional nuclear Overhauser enhancement spectroscopy experiments. Both of all-D-peptides vMIP-II (1-10) and vMIP-II (1-21), which are designated as DV3 and DV1, respectively, have higher CXCR4 binding ability than their L-peptide counterparts. They are partially structured in aqueous solution, displaying a turn-like structure over residues 5-8. The small temperature coefficients of His-6 amide proton for both peptides also suggest the formation of a small hydrophobic pocket centered on His-6. The structural features of DV3 are very similar to the reported solution structure of all-L-peptide vMIP-II (1-10) [M.P. Crump, E. Elisseeva, J. Gong, I. Clark-Lewis, B.D. Sykes, Structure/function of human herpesvirus-8 MIP-II (1-71) and the antagonist N-terminal segment (1-10), FEBS Lett. 489 (2001) 171], which is consistent with the notion that D- and L-enantiomeric peptides can adopt mirror image conformations. The NMR structures of the D-peptides provide a structural basis to understand their mechanism of action and design new peptidomimetic analogs to further explore the structure-activity relationship of D-peptide ligand binding to CXCR4

76 FR 38203 - Proposed Information Collection; North American Woodcock Singing Ground Survey

Science.gov (United States)

2011-06-29

...] Proposed Information Collection; North American Woodcock Singing Ground Survey AGENCY: Fish and Wildlife... populations. The North American Woodcock Singing Ground Survey is an essential part of the migratory bird.... II. Data OMB Control Number: 1018-0019. Title: North American Woodcock Singing Ground Survey. Service...

The Latent Symptom Structure of the Beck Depression Inventory-II in Outpatients with Major Depression

Science.gov (United States)

Quilty, Lena C.; Zhang, K. Anne; Bagby, R. Michael

2010-01-01

The Beck Depression Inventory-II (BDI-II) is a self-report instrument frequently used in clinical and research settings to assess depression severity. Although investigators have examined the factor structure of the BDI-II, a clear consensus on the best fitting model has not yet emerged, resulting in different recommendations regarding how to best…

Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex

Energy Technology Data Exchange (ETDEWEB)

Tamer, Ömer, E-mail: omertamer@sakarya.edu.tr; Avcı, Davut; Atalay, Yusuf

2015-11-15

A cobalt(II) complex of picolinate was synthesized, and its structure was fully characterized by the applying of X-ray diffraction method as well as FT-IR, FT-Raman and UV–vis spectroscopies. In order to both support the experimental results and convert study to more advanced level, density functional theory calculations were performed by using B3LYP level. Single crystal X-ray structural analysis shows that cobalt(II) ion was located to the center of distorted octahedral geometry. The C=O, C=C and C=N stretching vibrations were found as highly active and strong peaks, inducing the molecular charge transfer within Co(II) complex. The small energy gap between frontier molecular orbital energies was another indicator of molecular charge transfer interactions within Co(II) complex. The nonlinear optical properties of Co(II) complex were investigated at DFT/B3LYP level, and the hypepolarizability parameter was found to be decreased due to the presence of inversion symmetry. The natural bond orbital (NBO) analysis was performed to investigate molecular stability, hyperconjugative interactions, intramolecular charge transfer (ICT) and bond strength for Co(II) complex. Finally, molecular electrostatic potential (MEP) and spin density distributions for Co(II) complex were evaluated. - Highlights: • Co(II) complex of picolinate was prepared. • Its FT-IR, FT-Raman and UV–vis spectra were measured. • DFT calculations were performed to support experimental results. • Small HOMO-LUMO energy gap is an indicator of molecular charge transfer. • Spin density localized on Co(II) as well as O and N atoms.

Grounding-Induced Sectional Forces and Residual Strength of Grounded Ship Hulls

DEFF Research Database (Denmark)

Paik, Jeom Kee; Pedersen, Preben Terndrup

1996-01-01

The aim of the present study is to determine the sectional forces induced by ship grounding and also to assess the residual strength of groundedship hulls. An analytical approach is used to estimate the grounding-induced sectional forces of ships. The extent and location of structural damage due...... to grounding is defined based on the ABS Safe Hull guide. The residual strength of damaged hulls is calculated by using a simple analytical formula. The method is applied to residual strength assessment of a damaged double hull tanker of 38,400 dwt due to grounding....

Evaluation of Soil-Structure Interaction on the Seismic Response of Liquid Storage Tanks under Earthquake Ground Motions

Directory of Open Access Journals (Sweden)

Mostafa Farajian

2017-03-01

Full Text Available Soil-structure interaction (SSI could affect the seismic response of structures. Since liquid storage tanks are vital structures and must continue their operation under severe earthquakes, their seismic behavior should be studied. Accordingly, the seismic response of two types of steel liquid storage tanks (namely, broad and slender, with aspect ratios of height to radius equal to 0.6 and 1.85 founded on half-space soil is scrutinized under different earthquake ground motions. For a better comparison, the six considered ground motions are classified, based on their pulse-like characteristics, into two groups, named far and near fault ground motions. To model the liquid storage tanks, the simplified mass-spring model is used and the liquid is modeled as two lumped masses known as sloshing and impulsive, and the interaction of fluid and structure is considered using two coupled springs and dashpots. The SSI effect, also, is considered using a coupled spring and dashpot. Additionally, four types of soils are used to consider a wide variety of soil properties. To this end, after deriving the equations of motion, MATLAB programming is employed to obtain the time history responses. Results show that although the SSI effect leads to a decrease in the impulsive displacement, overturning moment, and normalized base shear, the sloshing (or convective displacement is not affected by such effects due to its long period.

Structural studies on a non-toxic homologue of type II RIPs from ...

Indian Academy of Sciences (India)

Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure. MS accepted http://www.ias.ac.in/jbiosci. THYAGESHWAR CHANDRAN, ALOK SHARMA and M VIJAYAN. J. Biosci. 40(5), October 2015, 929–941, © Indian Academy of ...

A new Pb{sup II}(ethylenediaminetetraacetate) coordination polymer with a two-dimensional layer structure

Energy Technology Data Exchange (ETDEWEB)

Zhao, D., E-mail: iamzd@hpu.edu.cn; Zhang, R. H.; Li, F. F. [Henan Polytechnic University, Department of Physics and Chemistry (China)

2016-12-15

A new Pb{sup II}−edta{sup 4–} coordination polymer, Pb{sub 2}(edta)(H{sub 2}O){sub 0.76} (edta{sup 4–} = ethylenediaminetetraacetate) was synthesized under hydrothermal condition. Single crystal X-ray analysis reveals that it represents a novel two-dimensional (2D) Pb{sup 2+}–edta{sup 4–} layer structure with a (4,8{sup 2})-topology. Each edta{sup 4–} ligand employs its four carboxylate O and two N atoms to chelate one Pb{sup II} atom (hexa-coordinated) and connects five Pb{sup II} atoms (ennea-coordinated) via its four carboxylate groups to form 2D layer framework. Adjacent layers are packed into the overall structure through vander Waals interactions.

HOLIMO II: a digital holographic instrument for ground-based in situ observations of microphysical properties of mixed-phase clouds

Science.gov (United States)

Henneberger, J.; Fugal, J. P.; Stetzer, O.; Lohmann, U.

2013-11-01

Measurements of the microphysical properties of mixed-phase clouds with high spatial resolution are important to understand the processes inside these clouds. This work describes the design and characterization of the newly developed ground-based field instrument HOLIMO II (HOLographic Imager for Microscopic Objects II). HOLIMO II uses digital in-line holography to in situ image cloud particles in a well-defined sample volume. By an automated algorithm, two-dimensional images of single cloud particles between 6 and 250 μm in diameter are obtained and the size spectrum, the concentration and water content of clouds are calculated. By testing the sizing algorithm with monosized beads a systematic overestimation near the resolution limit was found, which has been used to correct the measurements. Field measurements from the high altitude research station Jungfraujoch, Switzerland, are presented. The measured number size distributions are in good agreement with parallel measurements by a fog monitor (FM-100, DMT, Boulder USA). The field data shows that HOLIMO II is capable of measuring the number size distribution with a high spatial resolution and determines ice crystal shape, thus providing a method of quantifying variations in microphysical properties. A case study over a period of 8 h has been analyzed, exploring the transition from a liquid to a mixed-phase cloud, which is the longest observation of a cloud with a holographic device. During the measurement period, the cloud does not completely glaciate, contradicting earlier assumptions of the dominance of the Wegener-Bergeron-Findeisen (WBF) process.

HOLIMO II: a digital holographic instrument for ground-based in-situ observations of microphysical properties of mixed-phase clouds

Science.gov (United States)

Henneberger, J.; Fugal, J. P.; Stetzer, O.; Lohmann, U.

2013-05-01

Measurements of the microphysical properties of mixed-phase clouds with high spatial resolution are important to understand the processes inside these clouds. This work describes the design and characterization of the newly developed ground-based field instrument HOLIMO II (HOLographic Imager for Microscopic Objects II). HOLIMO II uses digital in-line holography to in-situ image cloud particles in a well defined sample volume. By an automated algorithm, two-dimensional images of single cloud particles between 6 and 250 μm in diameter are obtained and the size spectrum, the concentration and water content of clouds are calculated. By testing the sizing algorithm with monosized beads a systematic overestimation near the resolution limit was found, which has been used to correct the measurements. Field measurements from the high altitude research station Jungfraujoch, Switzerland, are presented. The measured number size distributions are in good agreement with parallel measurements by a fog monitor (FM-100, DMT, Boulder USA). The field data shows that HOLIMO II is capable of measuring the number size distribution with a high spatial resolution and determines ice crystal shape, thus providing a method of quantifying variations in microphysical properties. A case study over a period of 8 h has been analyzed, exploring the transition from a liquid to a mixed-phase cloud, which is the longest observation of a cloud with a holographic device. During the measurement period, the cloud does not completely glaciate, contradicting earlier assumptions of the dominance of the Wegener-Bergeron-Findeisen (WBF) process.

Electronic properties of electron and hole in type-II semiconductor nano-heterostructures

Science.gov (United States)

Rahul, K. Suseel; Souparnika, C.; Salini, K.; Mathew, Vincent

2016-05-01

In this project, we record the orbitals of electron and hole in type-II (CdTe/CdSe/CdTe/CdSe) semiconductor nanocrystal using effective mass approximation. In type-II the band edges of both valance and conduction band are higher than that of shell. So the electron and hole get confined in different layers of the hetero-structure. The energy eigen values and eigen functions are calculated by solving Schrodinger equation using finite difference matrix method. Based on this we investigate the effect of shell thickness and well width on energy and probability distribution of ground state (1s) and few excited states (1p,1d,etc). Our results predict that, type-II quantum dots have significant importance in photovoltaic applications.

Electronic properties of electron and hole in type-II semiconductor nano-heterostructures

Energy Technology Data Exchange (ETDEWEB)

Rahul, K. Suseel [Department of Physics, Central University of Kerala, Riverside Transit Campus, Kasaragod, Kerala. India (India); Department of Physics, Sri Vyasa NSS College, Wadakkancheri, Thrissur, Kerala, PIN:680623. India (India); Souparnika, C. [Department of Physics, Sri Vyasa NSS College, Wadakkancheri, Thrissur, Kerala, PIN:680623. India (India); Salini, K.; Mathew, Vincent, E-mail: vincent@cukerala.ac.in [Department of Physics, Central University of Kerala, Riverside Transit Campus, Kasaragod, Kerala. India (India)

2016-05-06

In this project, we record the orbitals of electron and hole in type-II (CdTe/CdSe/CdTe/CdSe) semiconductor nanocrystal using effective mass approximation. In type-II the band edges of both valance and conduction band are higher than that of shell. So the electron and hole get confined in different layers of the hetero-structure. The energy eigen values and eigen functions are calculated by solving Schrodinger equation using finite difference matrix method. Based on this we investigate the effect of shell thickness and well width on energy and probability distribution of ground state (1s) and few excited states (1p,1d,etc). Our results predict that, type-II quantum dots have significant importance in photovoltaic applications.

Synthesis and characterization of chromium(III), manganese(II), iron(III), cobalt(II), nickel(II), copper(II), cadmium(II) and dioxouranium(VI) complexes of 4(2-pyridyl)-1-(2,4-dihydroxybenzaldehyde)-3-thiosemicarbazone

International Nuclear Information System (INIS)

Abu El-Reash, G.M.; Ibrahim, M.M.; Kenawy; El-Ayaan, Usama; Khattab, M.A.

1994-01-01

A few complexes of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and dioxouranium(VI) with 4(2-pyridyl)-1-(2,4-dihydroxybenzaldehyde)-3-thiosemicarbazone have been synthesised and characterized on the basis of elemental analysis, IR, electronic NMR, and magnetic moment data. An octahedral structure is proposed for the Cr(III), Fe(III), Co(II) and Ni(H 3 PBT) 2 Cl 2 .2H 2 O complexes; a tetrahedral structure for the Mn(II) and Ni 2 (PBT)OAc.H 2 0 complexes and a square planar structure for the Cu(II) complexes. The antimicrobial and antifungal activities of H 3 PBT and of its metal(II) complexes are investigated. The results reveal that H 3 PBT exhibits greater antimicrobial activities than its complexes. (author). 34 refs., 4 figs., 2 tabs

Evaluation of ground motion scaling methods for analysis of structural systems

Science.gov (United States)

O'Donnell, A. P.; Beltsar, O.A.; Kurama, Y.C.; Kalkan, E.; Taflanidis, A.A.

2011-01-01

Ground motion selection and scaling comprises undoubtedly the most important component of any seismic risk assessment study that involves time-history analysis. Ironically, this is also the single parameter with the least guidance provided in current building codes, resulting in the use of mostly subjective choices in design. The relevant research to date has been primarily on single-degree-of-freedom systems, with only a few studies using multi-degree-of-freedom systems. Furthermore, the previous research is based solely on numerical simulations with no experimental data available for the validation of the results. By contrast, the research effort described in this paper focuses on an experimental evaluation of selected ground motion scaling methods based on small-scale shake-table experiments of re-configurable linearelastic and nonlinear multi-story building frame structure models. Ultimately, the experimental results will lead to the development of guidelines and procedures to achieve reliable demand estimates from nonlinear response history analysis in seismic design. In this paper, an overview of this research effort is discussed and preliminary results based on linear-elastic dynamic response are presented. ?? ASCE 2011.

Visualization of soil structure and pore structure modifications by pioneering ground beetles (Cicindelidae) in surface sediments of an artificial catchment

Science.gov (United States)

Badorreck, Annika; Gerke, Horst H.; Weller, Ulrich; Vontobel, Peter

2010-05-01

An artificial catchment was constructed to study initial soil and ecosystem development. As a key process, the pore structure dynamics in the soil at the surface strongly influences erosion, infiltration, matter dynamics, and vegetation establishment. Little is known, however, about the first macropore formation in the very early stage. This presentation focuses on observations of soil pore geometry and its effect on water flow at the surface comparing samples from three sites in the catchment and in an adjacent "younger" site composed of comparable sediments. The surface soil was sampled in cylindrical plastic rings (10 cm³) down to 2 cm depth in three replicates each site and six where caves from pioneering ground-dwelling beetles Cicindelidae were found. The samples were scanned with micro-X-ray computed tomography (at UFZ-Halle, Germany) with a resolution of 0.084 mm. The infiltration dynamics were visualized with neutronradiography (at Paul-Scherer-Institute, Switzerland) on slab-type soil samples in 2D. The micro-tomographies exhibit formation of surface sealing whose thickness and intensity vary with silt and clay content. The CT images show several coarser- and finer-textured micro-layers at the sample surfaces that were formed as a consequence of repeated washing in of finer particles in underlying coarser sediment. In micro-depressions, the uppermost layers consist of sorted fine sand and silt due to wind erosion. Similar as for desert pavements, a vesicular pore structure developed in these sediments on top, but also scattered in fine sand- and silt-enriched micro-layers. The ground-dwelling activity of Cicindelidae beetles greatly modifies the soil structure through forming caves in the first centimetres of the soil. Older collapsed caves, which form isolated pores within mixed zones, were also found. The infiltration rates were severely affected both, by surface crusts and activity of ground-dwelling beetles. The observations demonstrate relatively

Ground state structures and properties of Si3Hn (n= 1–6) clusters

Indian Academy of Sciences (India)

The ground state structures and properties of Si3H (1 ≤ ≤ 6) clusters have been calculated using Car–Parrinello molecular dynamics with simulated annealing and steepest descent optimization methods. We have studied cohesive energy per particle and first excited electronic level gap of the clusters as a function of ...

The n-propyl 3-azido-2,3-dideoxy-β-D-arabino-hexopyranoside: Syntheses, crystal structure, physical properties and stability constants of their complexes with Cu(II), Ni(II) and VO(II)

Science.gov (United States)

Barabaś, Anna; Madura, Izabela D.; Marek, Paulina H.; Dąbrowska, Aleksandra M.

2017-11-01

The structure, conformation and configuration of the n-propyl 3-azido-2,3-dideoxy-β-D-arabino-hexopyranoside (BAra-nPr) were determined by 1H NMR, 13C NMR, and IR spectroscopy, as well as by optical rotation. The crystal structure was confirmed by single-crystal X-ray diffraction studies at room temperature. The compound crystallizes in P21 space group symmetry of the monoclinic system. The molecule has a 4C1 chair conformation with azide group in the equatorial position both in a solution as well as in the crystal. The spatial arrangement of azide group is compared to other previously determined azidosugars. The hydrogen bonds between the hydroxyl group of sugar molecules lead to a ribbon structure observed also for the ethyl homolog. The packing of ribbons is dependent on the alkyl substituent length and with the elongation changes from pseudohexagonal to lamellar. Acidity constants for the n-propyl 3-azido-2,3-dideoxy-β-D-arabino-hexopyranoside (BAra-nPr) in an aqueous solution were evaluated by the spectrophotometric and potentiometric titrations methods. Title compound exhibit blue absorption with the maximum wavelengths in the range of 266 nm and 306 nm. Based on these measurements we showed equilibria existing in a particular solution and a distribution of species which have formed during the titration. We also investigated interactions between Cu(II), Ni(II) and VO(II) and title compound (as ligand L) during complexometric titration. On these bases we identified that in [CuII-BAra-nPr]2+ the ratio of the ligand L to metal ion M(II) was 3:1, while in [NiII-BAra-nPr]2+ and [VOII-BAra-nPr]2+ complexes 2:1 ratios were found. The cumulative stability constants (as log β) occurring in an aqueous solution for the complexes of BAra-nPr with Cu(II), Ni(II) and VO(IV) were 14.57; 11.71 and 4.20, respectively.

Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II

Energy Technology Data Exchange (ETDEWEB)

Boone, Christopher D. [University of Florida, PO Box 100267, Gainesville, FL 32610 (United States); Tu, Chingkuang [University of Florida, PO Box 100245, Gainesville, FL 32610 (United States); McKenna, Robert, E-mail: rmckenna@ufl.edu [University of Florida, PO Box 100267, Gainesville, FL 32610 (United States)

2014-06-01

The structure of human carbonic anhydrase II in complex with cholate has been determined to 1.54 Å resolution. Elucidation of the novel inhibition mechanism of cholate will aid in the development of a nonsulfur-containing, isoform-specific therapeutic agent. The carbonic anhydrases (CAs) are a family of mostly zinc metalloenzymes that catalyze the reversible hydration/dehydration of CO{sub 2} into bicarbonate and a proton. Human isoform CA II (HCA II) is abundant in the surface epithelial cells of the gastric mucosa, where it serves an important role in cytoprotection through bicarbonate secretion. Physiological inhibition of HCA II via the bile acids contributes to mucosal injury in ulcerogenic conditions. This study details the weak biophysical interactions associated with the binding of a primary bile acid, cholate, to HCA II. The X-ray crystallographic structure determined to 1.54 Å resolution revealed that cholate does not make any direct hydrogen-bond interactions with HCA II, but instead reconfigures the well ordered water network within the active site to promote indirect binding to the enzyme. Structural knowledge of the binding interactions of this nonsulfur-containing inhibitor with HCA II could provide the template design for high-affinity, isoform-specific therapeutic agents for a variety of diseases/pathological states, including cancer, glaucoma, epilepsy and osteoporosis.

[Fungal community structure in phase II composting of Volvariella volvacea].

Science.gov (United States)

Chen, Changqing; Li, Tong; Jiang, Yun; Li, Yu

2014-12-04

To understand the fungal community succession during the phase II of Volvariella volvacea compost and clarify the predominant fungi in different fermentation stages, to monitor the dynamic compost at the molecular level accurately and quickly, and reveal the mechanism. The 18S rDNA-denaturing gradient gel electrophoresis (DGGE) and sequencing methods were used to analyze the fungal community structure during the course of compost. The DGGE profile shows that there were differences in the diversity of fungal community with the fermentation progress. The diversity was higher in the stages of high temperature. And the dynamic changes of predominant community and relative intensity was observed. Among the 20 predominant clone strains, 9 were unknown eukaryote and fungi, the others were Eurotiales, Aspergillus sp., Melanocarpus albomyces, Colletotrichum sp., Rhizomucor sp., Verticillium sp., Penicillium commune, Microascus trigonosporus and Trichosporon lactis. The 14 clone strains were detected in the stages of high and durative temperature. The fungal community structure and predominant community have taken dynamic succession during the phase II of Volvariella volvacea compost.

Lead(ii) soaps: crystal structures, polymorphism, and solid and liquid mesophases.

Science.gov (United States)

Martínez-Casado, F J; Ramos-Riesco, M; Rodríguez-Cheda, J A; Redondo-Yélamos, M I; Garrido, L; Fernández-Martínez, A; García-Barriocanal, J; da Silva, I; Durán-Olivencia, M; Poulain, A

2017-07-05

The long-chain members of the lead(ii) alkanoate series or soaps, from octanoate to octadecanoate, have been thoroughly characterized by means of XRD, PDF analysis, DSC, FTIR, ssNMR and other techniques, in all their phases and mesophases. The crystal structures at room temperature of all of the members of the series are now solved, showing the existence of two polymorphic forms in the room temperature crystal phase, different to short and long-chain members. Only nonanoate and decanoate present both forms, and this polymorphism is proven to be monotropic. At higher temperature, these compounds present a solid mesophase, defined as rotator, a liquid crystal phase and a liquid phase, all of which have a similar local arrangement. Since some lead(ii) soaps appear as degradation compounds in oil paintings, the solved crystal structures of lead(ii) soaps can now be used as fingerprints for their detection using X-ray diffraction. Pair distribution function analysis on these compounds is very similar in the same phases and mesophases for the different members, showing the same short range order. This observation suggests that this technique could also be used in the detection of these compounds in disordered phases or in the initial stages of formation in paintings.

Activity report 1990-1992 and proceedings. Volume II

International Nuclear Information System (INIS)

Mayer-Rosa, D.; Waniek, L.; Suhadolc, P.

1993-01-01

A report of the European Seismological Commission (ESC) on 1990-1992 activities and Proceedings of the General Assembly of the ESC are presented in two volumes. Volume II covers the following topics: study of seismic sound, seismotectonic analysis, deep seismic sounding, the three-dimensional structure of the European lithosphere-asthenosphere system, complexity in earthquake occurrence, earthquake hazard, strong and weak earthquake ground motions, macroseismology, microzonation, and applications in earthquake engineering. One paper dealing with the connection between seismicity and the CO 2 - 222 Rn content in spring water has been inputted to INIS. (Z.S.)

Design, fabrication and characterisation of advanced substrate crosstalk suppression structures in silicon on insulator substrates with buried ground planes (GPSOI)

International Nuclear Information System (INIS)

Stefanou, Stefanos

2002-07-01

Substrate crosstalk or coupling has been acknowledged to be a limiting factor in mixed signal RF integration. Although high levels of integration and high frequencies of operation are desirable for mixed mode RF and microwave circuits, they make substrate crosstalk more pronounced and may lead to circuit performance degradation. High signal isolation is dictated by requirements for low power dissipation, reduced number of components and lower integration costs for feasible system-on-chip (SoC) solutions. Substrate crosstalk suppression in ground plane silicon-on-insulator (GPSOI) substrates is investigated in this thesis. Test structures are designed and fabricated on SOI substrates with a buried WSi 2 plane that is connected to ground; hence it is called a ground plane. A Faraday cage structure that exhibits very high degrees of signal isolation is presented and compared to other SOI isolation schemes. The Faraday cage structure is shown to achieve 20 dB increased isolation in the frequency range of 0.5-50 GHz compared to published data for high resistivity (200 Ωcm) thin film SOI substrates with no ground planes, but where capacitive guard rings were used. The measurement results are analysed with the aid of planar electromagnetic simulators and compact lumped element models of all the fabricated test structures are developed. The accuracy of the lumped models is validated against experimental measurements. (author)

Process induced sub-surface damage in mechanically ground silicon wafers

International Nuclear Information System (INIS)

Yang Yu; De Munck, Koen; Teixeira, Ricardo Cotrin; Swinnen, Bart; De Wolf, Ingrid; Verlinden, Bert

2008-01-01

Micro-Raman spectroscopy, scanning electron microcopy, atomic force microscopy and preferential etching were used to characterize the sub-surface damage induced by the rough and fine grinding steps used to make ultra-thin silicon wafers. The roughly and ultra-finely ground silicon wafers were examined on both the machined (1 0 0) planes and the cross-sectional (1 1 0) planes. They reveal similar multi-layer damage structures, consisting of amorphous, plastically deformed and elastically stressed layers. However, the thickness of each layer in the roughly ground sample is much higher than its counterpart layers in the ultra-finely ground sample. The residual stress after rough and ultra-fine grinding is in the range of several hundreds MPa and 30 MPa, respectively. In each case, the top amorphous layer is believed to be the result of sequential phase transformations (Si-I to Si-II to amorphous Si). These phase transformations correspond to a ductile grinding mechanism, which is dominating in ultra-fine grinding. On the other hand, in rough grinding, a mixed mechanism of ductile and brittle grinding causes multi-layer damage and sub-surface cracks

The Exact Ground State of the Frenkel-Kontorova Model with Repeated Parabolic Potential: II. Numerical Treatment

OpenAIRE

Scheidsteger, T.; Urbschat, H.; Griffiths, R. B.; Schellnhuber, H. J.

1997-01-01

A procedure is described for efficiently finding the ground state energy and configuration for a Frenkel-Kontorova model in a periodic potential, consisting of N parabolic segments of identical curvature in each period, through a numerical solution of the convex minimization problem described in the preceding paper. The key elements are the use of subdifferentials to describe the structure of the minimization problem; an intuitive picture of how to solve it, based on motion of quasiparticles;...

Cu(II) and Co(II) complexes of benzimidazole derivative: Structures, catecholase like activities and interaction studies with hydrogen peroxide

Science.gov (United States)

Kumari, Babli; Adhikari, Sangita; Matalobos, Jesús Sanmartín; Das, Debasis

2018-01-01

Present study describes the synthesis and single crystal X-ray structures of two metal complexes of benzimidazole derivative (PBI), viz. the Cu(II) complex, [Cu(PBI)2(NCS)]ClO4 (1) and a Co(II) complex, [Co(PBI)2(NCS)1.75Cl0.25] (2). The Cu(II) complex (1) shows catecholase like activity having Kcat = 1.84 × 104 h-1. Moreover, interactions of the complexes with hydrogen peroxide have been investigated using fluorescence spectroscopy. The interaction constant of 1 and 2 for H2O2 are 6.67 × 102 M-1 and 1.049 × 103 M-1 while their detection limits for H2O2 are 3.37 × 10-7 M and 2.46 × 10-7 M respectively.

Synthesis, structural characterization, and pro-apoptotic activity of 1-indanone thiosemicarbazone platinum(II) and palladium(II) complexes: potential as antileukemic agents.

Science.gov (United States)

Gómez, Natalia; Santos, Diego; Vázquez, Ramiro; Suescun, Leopoldo; Mombrú, Alvaro; Vermeulen, Monica; Finkielsztein, Liliana; Shayo, Carina; Moglioni, Albertina; Gambino, Dinorah; Davio, Carlos

2011-08-01

In the search for alternative chemotherapeutic strategies against leukemia, various 1-indanone thiosemicarbazones, as well as eight novel platinum(II) and palladium(II) complexes, with the formula [MCl₂(HL)] and [M(HL)(L)]Cl, derived from two 1-indanone thiosemicarbazones were synthesized and tested for antiproliferative activity against the human leukemia U937 cell line. The crystal structure of [Pt(HL1)(L1)]Cl·2MeOH, where L1=1-indanone thiosemicarbazone, was solved by X-ray diffraction. Free thiosemicarbazone ligands showed no antiproliferative effect, but the corresponding platinum(II) and palladium(II) complexes inhibited cell proliferation and induced apoptosis. Platinum(II) complexes also displayed selective apoptotic activity in U937 cells but not in peripheral blood monocytes or the human hepatocellular carcinoma HepG2 cell line used to screen for potential hepatotoxicity. Present findings show that, in U937 cells, 1-indanone thiosemicarbazones coordinated to palladium(II) were more cytotoxic than those complexed with platinum(II), although the latter were found to be more selective for leukemic cells suggesting that they are promising compounds with potential therapeutic application against hematological malignancies. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Response analysis of a nuclear containment structure with nonlinear soil-structure interaction under bi-directional ground motion

Science.gov (United States)

Kumar, Santosh; Raychowdhury, Prishati; Gundlapalli, Prabhakar

2015-06-01

Design of critical facilities such as nuclear power plant requires an accurate and precise evaluation of seismic demands, as any failure of these facilities poses immense threat to the community. Design complexity of these structures reinforces the necessity of a robust 3D modeling and analysis of the structure and the soil-foundation interface. Moreover, it is important to consider the multiple components of ground motion during time history analysis for a realistic simulation. Present study is focused on investigating the seismic response of a nuclear containment structure considering nonlinear Winkler-based approach to model the soil-foundation interface using a distributed array of inelastic springs, dashpots and gap elements. It is observed from this study that the natural period of the structure increases about 10 %, whereas the force demands decreases up to 24 % by considering the soil-structure interaction. Further, it is observed that foundation deformations, such as rotation and sliding are affected by the embedment ratio, indicating an increase of up to 56 % in these responses for a reduction of embedment from 0.5 to 0.05× the width of the footing.

Ground waves caused by gas cloud explosions and their effects on nuclear power plant structures

International Nuclear Information System (INIS)

Werkle, H.; Waas, G.

1983-01-01

The response of embedded structures to ground waves caused by the explosion of a gas cloud is studied. In the first step, the free field ground motion is analyzed; then the response of a PWR-building is computed. The analysis of the free-field motion is performed using a two-dimensional plane strain model, whereas the interaction problem of the structure excited by the free-field motion is investigated using an axisymmetric three-dimensional model. The soil is assumed to be viscoelastic and horizontally layered. The equations of motion for the viscoelastic continuum are solved in the frequency domain by a semianalytic method. The travelling surface loads from air pressure waves are represented by superposition of line loads. The superposition takes advantage of the mathematical properties of the Fourier transforms. Explicit ring load solutions are used to solve the three-dimensional interaction problem of a rigid embedded circular foundation excited by a two-dimensional wave field of Rayleigh wave type. (orig./WL)

Evaluation of geologic structure guiding ground water flow south and west of Frenchman Flat, Nevada Test Site

International Nuclear Information System (INIS)

McKee, E.H.

1998-01-01

Ground water flow through the region south and west of Frenchman Flat, in the Ash Meadows subbasin of the Death Valley ground water flow system, is controlled mostly by the distribution of permeable and impermeable rocks. Geologic structures such as faults are instrumental in arranging the distribution of the aquifer and aquitard rock units. Most permeability is in fractures caused by faulting in carbonate rocks. Large faults are more likely to reach the potentiometric surface about 325 meters below the ground surface and are more likely to effect the flow path than small faults. Thus field work concentrated on identifying large faults, especially where they cut carbonate rocks. Small faults, however, may develop as much permeability as large faults. Faults that are penetrative and are part of an anastomosing fault zone are particularly important. The overall pattern of faults and joints at the ground surface in the Spotted and Specter Ranges is an indication of the fracture system at the depth of the water table. Most of the faults in these ranges are west-southwest-striking, high-angle faults, 100 to 3500 meters long, with 10 to 300 /meters of displacement. Many of them, such as those in the Spotted Range and Rock Valley are left-lateral strike-slip faults that are conjugate to the NW-striking right-lateral faults of the Las Vegas Valley shear zone. These faults control the ground water flow path, which runs west-southwest beneath the Spotted Range, Mercury Valley and the Specter Range. The Specter Range thrust is a significant geologic structure with respect to ground water flow. This regional thrust fault emplaces siliceous clastic strata into the north central and western parts of the Specter Range

Investigation of non-corrin cobalt(II)-containing sites in protein structures of the Protein Data Bank.

Science.gov (United States)

Abriata, Luciano Andres

2013-04-01

Protein X-ray structures with non-corrin cobalt(II)-containing sites, either natural or substituting another native ion, were downloaded from the Protein Data Bank and explored to (i) describe which amino acids are involved in their first ligand shells and (ii) analyze cobalt(II)-donor bond lengths in comparison with previously reported target distances, CSD data and EXAFS data. The set of amino acids involved in Co(II) binding is similar to that observed for catalytic Zn(II) sites, i.e. with a large fraction of carboxylate O atoms from aspartate and glutamate and aromatic N atoms from histidine. The computed Co(II)-donor bond lengths were found to depend strongly on structure resolution, an artifact previously detected for other metal-donor distances. Small corrections are suggested for the target bond lengths to the aromatic N atoms of histidines and the O atoms of water and hydroxide. The available target distance for cysteine (Scys) is confirmed; those for backbone O and other donors remain uncertain and should be handled with caution in refinement and modeling protocols. Finally, a relationship between both Co(II)-O bond lengths in bidentate carboxylates is quantified.

Synthesis, structure and fluorescence properties of a novel 3D Sr(II) coordination polymer

Science.gov (United States)

Tan, Yu-Hui; Xu, Qing; Gu, Zhi-Feng; Gao, Ji-Xing; Wang, Bin; Liu, Yi; Yang, Chang-Shan; Tang, Yun-Zhi

2016-09-01

Solvothermal reaction of 2,2‧-bipyridine-5,5‧-dicarboxylic acid (H2bpdc) and SrCl2 affords a novel coordination polymer [Sr(Hbpdc)2]n1. X-ray structure determination shows that 1 exhibits a novel three-dimensional network. The unique Sr II cation sits on a two-fold axis and coordinated by four O-atom donors from four Hbptc- ligands and four N-atom donors from two Hbptc- ligands in distorted dodecahedral geometry. In 1 each Sr II cation connects to six different Hbptc- ligands and each Hbptc- ligand bridges three different Sr II cations which results in the formation of a three-dimensional polymeric structure. Corresponding to the free ligand, the fluorescent emission of complex 1 display remarkable "Einstain" shifts, which may be attributed to the coordination interaction of Sr atoms, thus reduce the rigidity of pyridyl rings.

Silver nanoplates with ground or metastable structures obtained from template-free two-phase aqueous/organic synthesis

Energy Technology Data Exchange (ETDEWEB)

Zhelev, Doncho V., E-mail: dontcho.jelev@nih.gov; Zheleva, Tsvetanka S. [Army Research Laboratory, 2800 Adelphi, Maryland 20783 (United States)

2014-01-28

Silver has unique electrical, catalytic, and plasmonic characteristics and has been widely sought for fabrication of nanostructures. The properties of silver nanostructures are intimately coupled to the structure of silver crystals. Two crystal structures are known for silver: the stable (ground) state cubic face centered 3C-Ag structure and the metastable hexagonal 4H-Ag structure. Recently, Chackraborty et al. [J. Phys.: Condens. Matter 23, 325401 (2011)] discovered a low density, highly reactive metastable hexagonal 2H-Ag structure accessible during electrodeposition of silver nanowires in porous anodic alumina templates. This 2H-Ag structure has enhanced electrical and catalytic characteristics. In the present work we report template-free synthesis of silver nanoplates with the metastable 2H-Ag crystal structure, which appears together with the ground 3C-Ag and the metastable 4H-Ag structures in a two-phase solution synthesis with citric acid as the capping agent. The capacity of citric acid to stabilize both the stable and the metastable structures is explained by its preferential binding to the close packed facets of Ag crystals, which are the (111) planes for 3C-Ag and the (0001) planes for 4H-Ag and 2H-Ag. Nanoplate morphology and structure are characterized using scanning electron microscopy, X-ray diffraction, and transmission electron microscopy. The synthesized nanoplates have thickness from 15 to 17 nm and edge length from 1 to 10 μm. Transmission electron microscopy selected area electron diffraction is used to uniquely identify and distinguish between nanoplates with 2H-Ag or 4H-Ag or 3C-Ag structures.

The magnetic structure on the ground state of the equilateral triangular spin tube

International Nuclear Information System (INIS)

Matsui, Kazuki; Goto, Takayuki; Manaka, Hirotaka; Miura, Yoko

2016-01-01

The ground state of the frustrated equilateral triangular spin tube CsCrF_4 is still hidden behind a veil though NMR spectrum broaden into 2 T at low temperature. In order to investigate the spin structure in an ordered state by "1"9F-NMR, we have determined the anisotropic hyperfine coupling tensors for each three fluorine sites in the paramagnetic state. The measurement field was raised up to 10 T to achieve highest resolution. The preliminary analysis using the obtained hyperfine tensors has shown that the archetypal 120°-type structure in ab-plane does not accord with the NMR spectra of ordered state.

Combining 3D seismic tomography and ground-penetrating radar to reveal the structure of a megalithic burial tomb

Science.gov (United States)

Mendes, Manuela; Caldeira, Bento; Borges, José

2017-04-01

This work describes a case study concerning a prehistoric buried tomb (around 3000 years B.C.) located near Évora (Portugal). This monument is a tomb completely buried with only five visible irregular small stones distributed in a circle of 3 meter in diameter. A multi-approach combining 3D seismic tomography and ground-penetrating radar (GPR) have been applied to identify hidden elements and arrangement of the stones, required prior to any excavation work. The methodology for the 3D seismic data acquisition involves a total of 24 shots recorded by four lines, with twelve fixed receivers each one. For the GPR survey was used a 400 MHz antenna which moves along parallel lines with 50 cm separation, over a 30x30 m2 area that contains the buried tomb; the GPR unit was configured to a horizontal rate of 50 scans per meter (1024 samples/scan) and a time window of 60 ns. This multi-approach procedure allowed defining: (i) the housing of the tomb in the basement structure; (ii) the presence of a hidden corridor; (iii) the description of the internal structure of the walls of the tomb; (iv) the state of preservation of the monument. Acknowledgements: This work is co-financed by the European Union through the European Regional Development Fund under COMPETE 2020 (Operational Program for Competitiveness and Internationalization) through the ICT project (UID / GEO / 04683/2013) under the reference POCI-01-0145 -FEDER-007690.

Analysis of the altitudinal structure of Storm-enhanced density using Total Electron Content data of space-borne and ground-based GPS receivers

Directory of Open Access Journals (Sweden)

Yukari Goi

2013-11-01

Full Text Available The altitudinal structure of Storm-enhanced density (SED was studied using the Total Electron Content (TEC data of the GPS receiver on the Gravity Recovery and Climate Experiment (GRACE satellite and the ground-based GPS receivers. The GRACETEC-data are derived from the GPS receiver on the GRACE satellite. A SED is a high-electron density phenomenon that extends from the Equatorial Ionization Anomaly (EIA toward the north-west in the northern hemisphere during geomagnetic disturbed time. TwoSEDs were observed as TEC variations in the GRACE-TEC data and in the ground-GPS TEC data. The ground-GPS TEC data is the TEC data between the ground GPS receiver and the GPS satellites. The SED observed in the GRACE-TEC data appeared at higher latitudes than that in the ground-GPS TEC data. We concluded detected that the altitudinal structure of the SED would be different between at lower than at higher latitudes due to the effects of the eastward E×B drift.

Theoretical Calculation and Analysis on the Composite Rock-Bolt Bearing Structure in Burst-Prone Ground

OpenAIRE

Cheng, Liang; Zhang, Yidong; Ji, Ming; Cui, Mantang; Zhang, Kai; Zhang, Minglei

2015-01-01

Given the increase in mining depth and intensity, tunnel failure as a result of rock burst has become an important issue in the field of mining engineering in China. Based on the Composite Rock-Bolt Bearing Structure, which is formed due to the interaction of the bolts driven into the surrounding rock, this paper analyzes a rock burst prevention mechanism, establishes a mechanical model in burst-prone ground, deduces the strength calculation formula of the Composite Rock-Bolt Bearing Structur...

Association Between Helicopter vs Ground Emergency Medical Services and Survival for Adults With Major Trauma

Science.gov (United States)

Galvagno, Samuel M.; Haut, Elliott R.; Zafar, S. Nabeel; Millin, Michael G.; Efron, David T.; Koenig, George J.; Baker, Susan P.; Bowman, Stephen M.; Pronovost, Peter J.; Haider, Adil H.

2012-01-01

Context Helicopter emergency medical services and their possible effect on outcomes for traumatically injured patients remain a subject of debate. Because helicopter services are a limited and expensive resource, a methodologically rigorous investigation of its effectiveness compared with ground emergency medical services is warranted. Objective To assess the association between the use of helicopter vs ground services and survival among adults with serious traumatic injuries. Design, Setting, and Participants Retrospective cohort study involving 223 475 patients older than 15 years, having an injury severity score higher than 15, and sustaining blunt or penetrating trauma that required transport to US level I or II trauma centers and whose data were recorded in the 2007–2009 versions of the American College of Surgeons National Trauma Data Bank. Interventions Transport by helicopter or ground emergency services to level I or level II trauma centers. Main Outcome Measures Survival to hospital discharge and discharge disposition. Results A total of 61 909 patients were transported by helicopter and 161 566 patients were transported by ground. Overall, 7813 patients (12.6%) transported by helicopter died compared with 17 775 patients (11%) transported by ground services. Before propensity score matching, patients transported by helicopter to level I and level II trauma centers had higher Injury Severity Scores. In the propensity score–matched multivariable regression model, for patients transported to level I trauma centers, helicopter transport was associated with an improved odds of survival compared with ground transport (odds ratio [OR], 1.16; 95% CI, 1.14–1.17; P<.001; absolute risk reduction [ARR], 1.5%). For patients transported to level II trauma centers, helicopter transport was associated with an improved odds of survival (OR, 1.15; 95% CI, 1.13–1.17; P < .001; ARR, 1.4%). A greater proportion (18.2%) of those transported to level I trauma centers

Electronic and structural ground state of heavy alkali metals at high pressure

Science.gov (United States)

Fabbris, G.; Lim, J.; Veiga, L. S. I.; Haskel, D.; Schilling, J. S.

2015-02-01

Alkali metals display unexpected properties at high pressure, including emergence of low-symmetry crystal structures, which appear to occur due to enhanced electronic correlations among the otherwise nearly free conduction electrons. We investigate the high-pressure electronic and structural ground state of K, Rb, and Cs using x-ray absorption spectroscopy and x-ray diffraction measurements together with a b i n i t i o theoretical calculations. The sequence of phase transitions under pressure observed at low temperature is similar in all three heavy alkalis except for the absence of the o C 84 phase in Cs. Both the experimental and theoretical results point to pressure-enhanced localization of the valence electrons characterized by pseudogap formation near the Fermi level and strong s p d hybridization. Although the crystal structures predicted to host magnetic order in K are not observed, the localization process appears to drive these alkalis closer to a strongly correlated electron state.

Structure, magnetism, and theoretical study of a mixed-valence Co(II)3Co(III)4 heptanuclear wheel: lack of SMM behavior despite negative magnetic anisotropy.

Science.gov (United States)

Chibotaru, Liviu F; Ungur, Liviu; Aronica, Christophe; Elmoll, Hani; Pilet, Guillaume; Luneau, Dominique

2008-09-17

A mixed-valence Co(II)/Co(III) heptanuclear wheel [Co(II)3Co(III)4(L)6(MeO)6] (LH2 = 1,1,1-trifluoro-7-hydroxy-4-methyl-5-aza-hept-3-en-2-one) has been synthesized and its crystal structure determined using single-crystal X-ray diffraction. The valence state of each cobalt ion was established by bond valence sum calculations. Studies of the temperature dependence of the magnetic susceptibility and the field dependence of the magnetization evidence ferromagnetic interactions within the compound. In order to understand the magnetic properties of this Co7 wheel, we performed ab initio calculations for each cobalt fragment at the CASSCF/CASPT2 level, including spin-orbit coupling effects within the SO-RASSI approach. The four Co(III) ions were found to be diamagnetic and to give a significant temperature-independent paramagnetic contribution to the susceptibility. The spin-orbit coupling on the three Co(II) sites leads to separations of approximately 200 cm(-1) between the ground and excited Kramers doublets, placing the Co7 wheel into a weak-exchange limit in which the lowest electronic states are adequately described by the anisotropic exchange interaction between the lowest Kramers doublets on Co(II) sites. Simulation of the exchange interaction was done within the Lines model, keeping the fully ab initio treatment of magnetic anisotropy effects on individual cobalt fragments using a recently developed methodology. A good description of the susceptibility and magnetization was obtained for nearest-neighbor (J1) and next-nearest-neighbor (J2) exchange parameters (1.5 and 5.5 cm(-1), respectively). The strong ferromagnetic interaction between distant cobalt ions arises as a result of low electron-promotion energies in the exchange bridges containing Co(III) ions. The calculations showed a large value of the magnetization along the main magnetic axis (10.1 mu(B)), which is a combined effect of the ferromagnetic exchange interaction and negative magnetic anisotropy on

Preliminary Guideline for the High Temperature Structure Integrity Assessment Procedure Part II. High Temperature Structural Integrity Assessment

Energy Technology Data Exchange (ETDEWEB)

Lee, Jae Han; Kim, J. B.; Lee, H. Y.; Park, C. G.; Joo, Y. S.; Koo, G. H.; Kim, S. H

2007-02-15

A high temperature structural integrity assessment belongs to the Part II of a whole preliminary guideline for the high temperature structure. The main contents of this guideline are the evaluation procedures of the creep-fatigue crack initiation and growth in high temperature condition, the high temperature LBB evaluation procedure, and the inelastic evaluations of the welded joints in SFR structures. The methodologies for the proper inelastic analysis of an SFR structures in high temperatures are explained and the guidelines of inelastic analysis options using ANSYS and ABAQUS are suggested. In addition, user guidelines for the developed NONSTA code are included. This guidelines need to be continuously revised to improve the applicability to the design and analysis of the SFR structures.

Collison and Grounding

DEFF Research Database (Denmark)

Wang, G.; Ji, C.; Kuhala, P.

2006-01-01

COMMITTEE MANDATE Concern for structural arrangements on ships and floating structures with regard to their integrity and adequacy in the events of collision and grounding, with the view towards risk assessment and management. Consideration shall be given to the frequency of occurrence...

Coordination structure of adsorbed Zn(II) at Water-TiO2 interfaces

Energy Technology Data Exchange (ETDEWEB)

He, G.; Pan, G.; Zhang, M.; Waychunas, G.A.

2011-01-15

The local structure of aqueous metal ions on solid surfaces is central to understanding many chemical and biological processes in soil and aquatic environments. Here, the local coordination structure of hydrated Zn(II) at water-TiO{sub 2} interfaces was identified by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) spectroscopy combined with density functional theory (DFT) calculations. A nonintegral coordination number of average {approx}4.5 O atoms around a central Zn atom was obtained by EXAFS analysis. DFT calculations indicated that this coordination structure was consistent with the mixture of 4-coordinated bidentate binuclear (BB) and 5-coordinated bidentate mononuclear (BM) metastable equilibrium adsorption (MEA) states. The BB complex has 4-coordinated Zn, while the monodentate mononuclear (MM) complex has 6-coordinated Zn, and a 5-coordinated adsorbed Zn was found in the BM adsorption mode. DFT calculated energies showed that the lower-coordinated BB and BM modes were thermodynamically more favorable than the higher-coordinated MM MEA state. The experimentally observed XANES fingerprinting provided additional direct spectral evidence of 4- and 5-coordinated Zn-O modes. The overall spectral and computational evidence indicated that Zn(II) can occur in 4-, 5-, and 6-oxygen coordinated sites in different MEA states due to steric hindrance effects, and the coexistence of different MEA states formed the multiple coordination environments.

Stochastic ground motion simulation

Science.gov (United States)

Rezaeian, Sanaz; Xiaodan, Sun; Beer, Michael; Kougioumtzoglou, Ioannis A.; Patelli, Edoardo; Siu-Kui Au, Ivan

2014-01-01

Strong earthquake ground motion records are fundamental in engineering applications. Ground motion time series are used in response-history dynamic analysis of structural or geotechnical systems. In such analysis, the validity of predicted responses depends on the validity of the input excitations. Ground motion records are also used to develop ground motion prediction equations(GMPEs) for intensity measures such as spectral accelerations that are used in response-spectrum dynamic analysis. Despite the thousands of available strong ground motion records, there remains a shortage of records for large-magnitude earthquakes at short distances or in specific regions, as well as records that sample specific combinations of source, path, and site characteristics.

Synthesis, investigation and spectroscopic characterization of piroxicam ternary complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with glycine and DL-phenylalanine

Science.gov (United States)

Mohamed, Gehad G.; El-Gamel, Nadia E. A.

2004-11-01

The ternary piroxicam (Pir; 4-hydroxy-2-methyl- N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide) complexes of Fe(II), Fe(III), Co(II), Ni(II), Cu(II) and Zn(II) with various amino acids (AA) such as glycine (Gly) or DL-phenylalanine (PhA) were prepared and characterized by elemental analyses, molar conductance, IR, UV-Vis, magnetic moment, diffuse reflectance and X-ray powder diffraction. The UV-Vis spectra of Pir and the effect of metal chelation on the different interligand transitions are discussed in detailed manner. IR and UV-Vis spectra confirm that Pir behaves as a neutral bidentate ligand coordinated to the metal ions via the pyridine- N and carbonyl group of the amide moiety. Gly molecule acted as a uninegatively monodentate ligand and coordinate to the metal ions through its carboxylic group, in addition PhA acted as a uninegatively bidentate ligand and coordinate to the metal ions through its carboxylic and amino groups. All the chelates have octahedral geometrical structures while Cu(II)- and Zn(II)-ternary chelates with PhA have square planar geometrical structures. The molar conductance data reveal that most of these chelates are non electrolytes, while Fe(III)-Pir-Gly, Co(II)-, Ni(II)-, Cu(II)- and Zn(II)-Pir-PhA cheletes were 1:1 electrolytes. X-ray powder diffraction is used as a new tool to estimate the crystallinity of chelates as well as to elucidate their geometrical structures.

Ground water work breakdown structure dictionary

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-04-01

This report contains the activities that are necessary to assess in ground water remediation as specified in the UMTRA Project. These activities include the following: site characterization; remedial action compliance and design documentation; environment, health, and safety program; technology assessment; property access and acquisition activities; site remedial actions; long term surveillance and licensing; and technical and management support.

Ground water work breakdown structure dictionary

International Nuclear Information System (INIS)

1995-04-01

This report contains the activities that are necessary to assess in ground water remediation as specified in the UMTRA Project. These activities include the following: site characterization; remedial action compliance and design documentation; environment, health, and safety program; technology assessment; property access and acquisition activities; site remedial actions; long term surveillance and licensing; and technical and management support

Structural modeling of the Vichada impact structure from interpreted ground gravity and magnetic anomalies

International Nuclear Information System (INIS)

Hernandez, Orlando; Khurama, Sait; Alexander, Gretta C

2011-01-01

A prominent positive free-air gravity anomaly mapped over a roughly 50-km diameter basin is consistent with a mascon centered on (4 degrades 30 minutes N, 69 degrades 15 minutes W) in the Vichada Department, Colombia, South America. Ground follow up gravity and magnetic anomalies were modeled confirming the regional free air gravity anomalies. These potential field anomalies infer a hidden complex impact basin structure filled with tertiary sedimentary rocks and recent quaternary deposits. Negative Bouguer anomalies of 8 mgals to 15 mgals amplitude are associated with a concentric sedimentary basin with a varying thickness from 100 m to 500 m in the outer rings to 700 m to 1000 m at the center of the impact crater basin. Strong positive magnetic anomalies of 100 nt to 300 nt amplitude infer the presence of a local Precambrian crystalline basement that was affected by intensive faulting producing tectonic blocks dipping to the center of the structure, showing a typical domino structure of impact craters such as that of Sudbury, Ontario, Canada. Basic to intermediate mineralized veins and dikes with contrasting density and magnetic susceptibility properties could be emplaced along these faulting zones, as inferred from local gravity and magnetic highs. The geologic mapping of the area is limited by the flat topography and absence of outcrops/ geomorphologic units. Nevertheless, local normal faults along the inner ring together with radially sparse irregular blocks over flat terrains can be associated with terraced rims or collapse of the inner crater structure and eject blanket, respectively. A detailed airborne electromagnetic survey is recommended to confirm the gravity and magnetic anomalies together with a seismic program to evaluate the economic implications for energy and mineral exploration of the Vichada impact structure.

The ground-fault detection system for DIII-D

International Nuclear Information System (INIS)

Scoville, J.T.; Petersen, P.I.

1987-10-01

This paper presents a discussion of the ground-fault detection systems on the DIII-D tokamak. The subsystems that must be monitored for an inadvertent ground include the toroidal and poloidal coil systems, the vacuum vessel, and the coil support structures. In general, one point of each coil is tied to coil/power supply ground through a current limiting resistor. For ground protection the current through this resistor is monitored using a dynamically feedback balanced Hall probe transducer from LEM Industries. When large inductive currents flow in closed loops near the tokamak, the result is undesirable magnetic error fields in the plasma region and noise generation on signal cables. Therefore, attention must be paid to avoid closed loops in the design of the coil and vessel support structure. For DIII-D a concept of dual insulating breaks and a single-point ground for all structure elements was used to satisfy this requirement. The integrity of the support structure is monitored by a system which continuously attempts to couple a variable frequency waveform onto these single-point grounds. The presence of an additional ground completes the circuit resulting in current flow. A Rogowski coil is then used to track the unwanted ground path in order to eliminate it. Details of the ground fault detection circuitry, and a description of its operation will be presented. 2 refs., 7 figs

Ground motion effects

Energy Technology Data Exchange (ETDEWEB)

Blume, J A [John A. Blume and Associates, San Francisco, CA (United States)

1969-07-01

Ground motion caused by natural earthquakes or by nuclear explosion causes buildings and other structures to respond in such manner as possibly to have high unit stresses and to be subject to damage or-in some cases-collapse. Even minor damage may constitute a hazard to persons within or adjacent to buildings. The risk of damage may well be the governing restraint on the uses of nuclear energy for peaceful purposes. Theory is advanced regarding structural-dynamic response but real buildings and structures are complex, highly variable, and often difficult to model realistically. This paper discusses the state of knowledge, the art of damage prediction and safety precautions, and shows ground motion effects from explosions of underground nuclear devices in the continental United States including events Salmon, Gasbuggy, Boxcar, Faultless and Benham. (author)

Ground motion effects

International Nuclear Information System (INIS)

Blume, J.A.

1969-01-01

Ground motion caused by natural earthquakes or by nuclear explosion causes buildings and other structures to respond in such manner as possibly to have high unit stresses and to be subject to damage or-in some cases-collapse. Even minor damage may constitute a hazard to persons within or adjacent to buildings. The risk of damage may well be the governing restraint on the uses of nuclear energy for peaceful purposes. Theory is advanced regarding structural-dynamic response but real buildings and structures are complex, highly variable, and often difficult to model realistically. This paper discusses the state of knowledge, the art of damage prediction and safety precautions, and shows ground motion effects from explosions of underground nuclear devices in the continental United States including events Salmon, Gasbuggy, Boxcar, Faultless and Benham. (author)

Liquid Structures and Physical Properties -- Ground Based Studies for ISS Experiments

Science.gov (United States)

Kelton, K. F.; Bendert, J. C.; Mauro, N. A.

2012-01-01

Studies of electrostatically-levitated supercooled liquids have demonstrated strong short- and medium-range ordering in transition metal and alloy liquids, which can influence phase transitions like crystal nucleation and the glass transition. The structure is also related to the liquid properties. Planned ISS experiments will allow a deeper investigation of these results as well as the first investigations of a new type of coupling in crystal nucleation in primary crystallizing liquids, resulting from a linking of the stochastic processes of diffusion with interfacial-attachment. A brief description of the techniques used for ground-based studies and some results relevant to planned ISS investigations are discussed.

Biologically active new Fe(II, Co(II, Ni(II, Cu(II, Zn(II and Cd(II complexes of N-(2-thienylmethylenemethanamine

Directory of Open Access Journals (Sweden)

C. SPÎNU

2008-04-01

Full Text Available Iron(II, cobalt(II, nickel (II, copper (II, zinc(II and cadmium(II complexes of the type ML2Cl2, where M is a metal and L is the Schiff base N-(2-thienylmethylenemethanamine (TNAM formed by the condensation of 2-thiophenecarboxaldehyde and methylamine, were prepared and characterized by elemental analysis as well as magnetic and spectroscopic measurements. The elemental analyses suggest the stoichiometry to be 1:2 (metal:ligand. Magnetic susceptibility data coupled with electronic, ESR and Mössbauer spectra suggest a distorted octahedral structure for the Fe(II, Co(II and Ni(II complexes, a square-planar geometry for the Cu(II compound and a tetrahedral geometry for the Zn(II and Cd(II complexes. The infrared and NMR spectra of the complexes agree with co-ordination to the central metal atom through nitrogen and sulphur atoms. Conductance measurements suggest the non-electrolytic nature of the complexes, except for the Cu(II, Zn(II and Cd(II complexes, which are 1:2 electrolytes. The Schiff base and its metal chelates were screened for their biological activity against Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa and the metal chelates were found to possess better antibacterial activity than that of the uncomplexed Schiff base.

Ground Processing Optimization Using Artificial Intelligence Techniques, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — The ultimate goal is the automation of a large amount of KSC's planning, scheduling, and execution decision making. Phase II will result in a complete full-scale...

Seismic soil-structure interaction with consideration of spatial incoherence of seismic ground motions: A case study

Energy Technology Data Exchange (ETDEWEB)

Tseng, Wen S., E-mail: wen.tseng@rizzoassoc.com [Paul C. Rizzo Associates, Inc., Western Region, 2201 Broadway, Suite 400, Oakland, CA 94612 (United States); Lilhanand, Kiat; Hamasaki, Don; Garcia, Julio A. [Paul C. Rizzo Associates, Inc., Western Region, 2201 Broadway, Suite 400, Oakland, CA 94612 (United States); Srinivasan, Ram [AREVA, NP, Inc., 6399 San Ignacio Avenue, San Jose, CA 95119 (United States)

2014-04-01

This paper presents a case study of seismic soil-structure interaction (SSI) analysis with consideration of spatial incoherence of seismic input ground motions. The SSI analyses were performed using the SASSI computer program for the Auxiliary Control Building (ACB) structure of an existing nuclear power plant on a hard rock site located in the Center and Eastern United States (CEUS) region. The incoherent seismic input motions for the hard rock site used for the analyses were generated using the computer program INCOH that works together with SASSI. The objective of the analyses was to generate maximum seismic response parameters for assessment of potential impact of newly developed site-specific (ground motion) response spectra (SSRS) on the seismic design of the ACB and potential benefits that could be gained by considering spatial incoherence of seismic input motions. Maximum seismic response values for selected response parameters of interest were generated with both SSRS-compatible coherent and incoherent seismic input motions. Comparisons were made of the corresponding maximum response parameter values and in-structure (acceleration) response spectra (ISRS) generated for both the coherent and incoherent motion inputs. These comparisons indicate that, by incorporating incoherence of ground motions in the seismic input, the maximum response values reduces and the ISRS peak amplitudes in the high frequency range (>10 Hz) also reduce from the corresponding response values resulting from the coherent motion input. The amount of ISRS-amplitude reduction increases as the spectral frequency increases, as expected. Such reductions can be as much as 20–50%. This case study demonstrates that, for a CEUS hard rock site where relatively high high-frequency in the seismic input response spectra exist, consideration of spatial incoherence of input motions would result in substantial benefits in reducing the high-frequency seismic responses. Such benefits are especially

Synthesis and structural characterization of nickel(II), cobalt(II), Zinc(II), manganese(II), cadmium(II) and uranium(VI) complexes of α-oximinoacetoacet-o/p-anisidide thiosemicarbazone

International Nuclear Information System (INIS)

Patel, P.S.; Patel, M.M.; Ray, R.M.

1993-01-01

A few metal complexes of α-oximinoacetoacet-o/p-anisidide thiosemicarbazones (OAOATS)/(OAPATS) with Ni(II), Co(II), Zn(II), Mn(II), Hg(II), Cd(II) and UO 2 (II) have been prepared and characterized by elemental analyses, conductivity, differential scanning calorimetry study, thermogravimetric analyses and infrared and electronic spectral measurements in conjunction with magnetic susceptibility measurements at room temperature. They have also been tested for their antimicrobial activities. (author). 24 refs., 2 tabs

Contribution of above- and below-ground plant traits to the structure and function of grassland soil microbial communities.

Science.gov (United States)

Legay, N; Baxendale, C; Grigulis, K; Krainer, U; Kastl, E; Schloter, M; Bardgett, R D; Arnoldi, C; Bahn, M; Dumont, M; Poly, F; Pommier, T; Clément, J C; Lavorel, S

2014-10-01

Abiotic properties of soil are known to be major drivers of the microbial community within it. Our understanding of how soil microbial properties are related to the functional structure and diversity of plant communities, however, is limited and largely restricted to above-ground plant traits, with the role of below-ground traits being poorly understood. This study investigated the relative contributions of soil abiotic properties and plant traits, both above-ground and below-ground, to variations in microbial processes involved in grassland nitrogen turnover. In mountain grasslands distributed across three European sites, a correlative approach was used to examine the role of a large range of plant functional traits and soil abiotic factors on microbial variables, including gene abundance of nitrifiers and denitrifiers and their potential activities. Direct effects of soil abiotic parameters were found to have the most significant influence on the microbial groups investigated. Indirect pathways via plant functional traits contributed substantially to explaining the relative abundance of fungi and bacteria and gene abundances of the investigated microbial communities, while they explained little of the variance in microbial activities. Gene abundances of nitrifiers and denitrifiers were most strongly related to below-ground plant traits, suggesting that they were the most relevant traits for explaining variation in community structure and abundances of soil microbes involved in nitrification and denitrification. The results suggest that consideration of plant traits, and especially below-ground traits, increases our ability to describe variation in the abundances and the functional characteristics of microbial communities in grassland soils. © The Author 2014. Published by Oxford University Press on behalf of the Annals of Botany Company. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Engineering characterization of ground motion. Task I. Effects of characteristics of free-field motion on structural response

Energy Technology Data Exchange (ETDEWEB)

Kennedy, R.P.; Short, S.A.; Merz, K.L.; Tokarz, F.J.; Idriss, I.M.; Power, M.S.; Sadigh, K.

1984-05-01

This report presents the results of the first task of a two-task study on the engineering characterization of earthquake ground motion for nuclear power plant design. The overall objective of this study is to develop recommendations for methods for selecting design response spectra or acceleration time histories to be used to characterize motion at the foundation level of nuclear power plants. Task I of the study develops a basis for selecting design response spectra, taking into account the characteristics of free-field ground motion found to be significant in causing structural damage.

Engineering characterization of ground motion. Task I. Effects of characteristics of free-field motion on structural response

International Nuclear Information System (INIS)

Kennedy, R.P.; Short, S.A.; Merz, K.L.; Tokarz, F.J.; Idriss, I.M.; Power, M.S.; Sadigh, K.

1984-05-01

This report presents the results of the first task of a two-task study on the engineering characterization of earthquake ground motion for nuclear power plant design. The overall objective of this study is to develop recommendations for methods for selecting design response spectra or acceleration time histories to be used to characterize motion at the foundation level of nuclear power plants. Task I of the study develops a basis for selecting design response spectra, taking into account the characteristics of free-field ground motion found to be significant in causing structural damage

Formation keeping of unmanned ground vehicles

Directory of Open Access Journals (Sweden)

Muangmin Kamonwan

2017-01-01

Full Text Available Controlling motions of an unmanned ground vehicle becomes more popular in real world practices. Its application is useful for household chores, military services, medical purposes, and industrial revolutions, etc. An analysis of motions by using the Fundamental Equations of Constrained Motion (FECM is one effective tool to determine the motions. Its conceptualization is done in three-step procedure as follows: (I Determining an unconstrained motion (II Assigning constraint equations and (III Computing a constrained motion. The equations of motion obtained are expressed as liner functions of acceleration. Then other kinematical information of the unmanned ground vehicles can be obtained by integration its acceleration. In this work, the FECM is used as a tool to analyze motions of a group of unmanned ground vehicles in various forms. The simulation results show that control forces obtained from the approach can regulate motions of unmanned ground vehicles to maneuver in desired formations.

Structure of a Complete Mediator-RNA Polymerase II Pre-Initiation Complex.

Science.gov (United States)

Robinson, Philip J; Trnka, Michael J; Bushnell, David A; Davis, Ralph E; Mattei, Pierre-Jean; Burlingame, Alma L; Kornberg, Roger D

2016-09-08

A complete, 52-protein, 2.5 million dalton, Mediator-RNA polymerase II pre-initiation complex (Med-PIC) was assembled and analyzed by cryo-electron microscopy and by chemical cross-linking and mass spectrometry. The resulting complete Med-PIC structure reveals two components of functional significance, absent from previous structures, a protein kinase complex and the Mediator-activator interaction region. It thereby shows how the kinase and its target, the C-terminal domain of the polymerase, control Med-PIC interaction and transcription. Copyright © 2016 Elsevier Inc. All rights reserved.

The ground-beetles (Coleoptera, Carabidae) of Nukatlinskiy watershed

OpenAIRE

G. M. Nahibasheva; Sh. M. Imanaliev

2008-01-01

The article is devoted to studying of ground-beetles fauna of Nukatlinskiy watershed of Republic Dagestan. For the first time the specific structure of ground-beetles this area, the numbering 109 kinds concerning 31 sort is resulted. The analysis of sexual structure of populations and seasonal dynamics of activity ground-beetles is lead.

Flow structures around a flapping wing considering ground effect

Science.gov (United States)

Van Truong, Tien; Kim, Jihoon; Kim, Min Jun; Park, Hoon Cheol; Yoon, Kwang Joon; Byun, Doyoung

2013-07-01

Over the past several decades, there has been great interest in understanding the aerodynamics of flapping flight, namely the two flight modes of hovering and forward flight. However, there has been little focus on the aerodynamic characteristics during takeoff of insects. In a previous study we found that the Rhinoceros Beetle ( Trypoxylusdichotomus) takes off without jumping, which is uncommon for other insects. In this study we built a scaled-up electromechanical model of a flapping wing and investigated fluid flow around the beetle's wing model. In particular, the present dynamically scaled mechanical model has the wing kinematics pattern achieved from the real beetle's wing kinematics during takeoff. In addition, we could systematically change the three-dimensional inclined motion of the flapping model through each stroke. We used digital particle image velocimetry with high spatial resolution, and were able to qualitatively and quantitatively study the flow field around the wing at a Reynolds number of approximately 10,000. The present results provide insight into the aerodynamics and the evolution of vortical structures, as well as the ground effect experienced by a beetle's wing during takeoff. The main unsteady mechanisms of beetles have been identified and intensively analyzed as the stability of the leading edge vortex (LEV) during strokes, the delayed stall during upstroke, the rotational circulation in pronation periods, and wake capture in supination periods. Due to the ground effect, the LEV was enhanced during half downstroke, and the lift force could thus be increased to lift the beetle during takeoff. This is useful for researchers in developing a micro air vehicle that has a beetle-like flapping wing motion.

Complexes of Cu(II), Ni(II), Co(II), oxovanadium(IV) and dioxouranium(VI) with N,N'-ethylenebis (2-hydroxy-4-methylpropiophenoneimine)

International Nuclear Information System (INIS)

Patel, M.M.; Patel, M.R.; Patel, M.N.; Patel, R.P.

1982-01-01

Complexes of Cu(II), Ni(II), Co(II), oxovanadium(IV) and dioxouranium(VI) with the schiff base, N,N'-ethylenebis(2-hydroxy-4-methylpropiophenoneimine)(4-MeOHPEN), have been synthesised and characterised on the basis of elemental analyses, conductivity, magnetic moment, electronic and infrared spectral data. Square-planar structures are suggested for Cu(II), Ni(II) and Co(II) complexes while a distorted square-pyramidal structure is suggested for the oxovanadium(IV) complex. (author)

The structure of the local interstellar medium. VI. New Mg II, Fe II, and Mn II observations toward stars within 100 pc

International Nuclear Information System (INIS)

Malamut, Craig; Redfield, Seth; Linsky, Jeffrey L.; Wood, Brian E.; Ayres, Thomas R.

2014-01-01

We analyze high-resolution spectra obtained with the Space Telescope Imaging Spectrograph onboard the Hubble Space Telescope toward 34 nearby stars (≤100 pc) to record Mg II, Fe II, and Mn II absorption due to the local interstellar medium (LISM). Observations span the entire sky, probing previously unobserved regions of the LISM. The heavy ions studied in this survey produce narrow absorption features that facilitate the identification of multiple interstellar components. We detected one to six individual absorption components along any given sight line, and the number of absorbers roughly correlates with the pathlength. This high-resolution near-ultraviolet (NUV) spectroscopic survey was specifically designed for sight lines with existing far-UV (FUV) observations. The FUV spectra include many intrinsically broad absorption lines (i.e., of low atomic mass ions) and are often observed at medium resolution. The LISM NUV narrow-line absorption component structure presented here can be used to more accurately interpret the archival FUV observations. As an example of this synergy, we present a new analysis of the temperature and turbulence along the line of sight toward ε Ind. The new observations of LISM velocity structure are also critical in the interpretation of astrospheric absorption derived from fitting the saturated H I Lyα profile. As an example, we reanalyze the spectrum of λ And and find that this star likely does have an astrosphere. Two stars in the sample that have circumstellar disks (49 Cet and HD141569) show evidence for absorption due to disk gas. Finally, the substantially increased number of sight lines is used to test and refine the three-dimensional kinematic model of the LISM and search for previously unidentified clouds within the Local Bubble. We find that every prediction made by the Redfield and Linsky kinematic model of the LISM is confirmed by an observed component in the new lines of sight.

Full-scale experimental and numerical study about structural behaviour of a thin-walled cold-formed steel building affected by ground settlements due to land subsidence

Directory of Open Access Journals (Sweden)

J. A. Ortiz

2015-11-01

Full Text Available Land subsidence due to ground water withdrawal is a problem in many places around the world (Poland, 1984. This causes differential ground settlements that affect masonry structures, because these structural materials do not exhibit an adequate performance beyond a certain level of angular distortion. This work presents the experimental and numerical results about a study regarding the performance of a full-scale thin-walled cold-formed steel building affected by ground differential settlements due to land subsidence. The experimental stage consisted in the construction of a test-building to be subjected to differential settlements in laboratory. The numerical stage consisted in performing a numerical non-linear static pull-down analysis simulating the differential ground settlements of the test-building. The results show that the structural performance of the tested building was very suitable in terms of ductility.

Regional analysis of ground and above-ground climate. Part I. Regional suitability of earth-tempering practices: summary and conclusions. Part II. Bioclimatic data

Energy Technology Data Exchange (ETDEWEB)

Labs, K.

The regional suitability of underground construction as a climate-control technique is discussed with reference to (1) a bioclimatic analysis of long-term weather data for 29 locations in the United States to determine appropriate above-ground climate-control techniques, (2) a data base of synthesized ground temperatures for the coterminous United States, and (3) monthly dewpoint ground temperature comparisons for identifying the relative likelihood of condensation, from one region to another. It is concluded that the suitability of earth tempering as a practice and of specific earth-sheltered design stereotypes varies geographically. While the subsurface almost always provides a thermal advantage on its own terms when compared to above-ground climatic data, it can, nonetheless, compromise the effectiveness of other, regionally more important climate-control techniques. Also contained in the report are reviews of above- and below-ground climate mapping schemes related to human comfort and architectural design, and a detailed description of a theoretical model of ground temperature, heat flow, and heat storage in the ground. Strategies of passive climate control are presented in a discussion of the building bioclimatic analysis procedure which has been applied in a computer analysis of 30 years of weather data for each of 29 locations in the United States. 3 references, 12 figures, 14 tables.

The structure of low-latitude Pc3 pulsations observed by CHAMP and on the ground

Directory of Open Access Journals (Sweden)

D. C. Ndiitwani

2009-03-01

Full Text Available The structure of low-latitude continuous pulsations termed Pc3, which are naturally occurring MHD waves in the Earth's magnetosphere, were studied by comparing ground and satellite magnetic field measurements. Data from two induction magnetometers, located at Hermanus and Sutherland in South Africa were used in conjunction with Challenging Minisatellite Payload (CHAMP satellite observations to study a Pc3 event observed on 15 February 2003, at a time when CHAMP was passing over the ground stations. We observed a number of discrete frequency oscillations for the fast mode wave, one of which drives a field line resonance (FLR at characteristic latitude as detected by both ground and satellite measurements. Consequently, our observations confirmed the compressional wave as being the driver of the field line resonance. The toroidal mode frequency observed on CHAMP experienced a Doppler frequency shift due to the rapid motion across the resonance region. Polarization hodograms in the resonance region clearly showed the expected 90° rotation of the field line resonant magnetic field components.

The structure of low-latitude Pc3 pulsations observed by CHAMP and on the ground

Directory of Open Access Journals (Sweden)

D. C. Ndiitwani

2009-03-01

Full Text Available The structure of low-latitude continuous pulsations termed Pc3, which are naturally occurring MHD waves in the Earth's magnetosphere, were studied by comparing ground and satellite magnetic field measurements. Data from two induction magnetometers, located at Hermanus and Sutherland in South Africa were used in conjunction with Challenging Minisatellite Payload (CHAMP satellite observations to study a Pc3 event observed on 15 February 2003, at a time when CHAMP was passing over the ground stations. We observed a number of discrete frequency oscillations for the fast mode wave, one of which drives a field line resonance (FLR at characteristic latitude as detected by both ground and satellite measurements. Consequently, our observations confirmed the compressional wave as being the driver of the field line resonance. The toroidal mode frequency observed on CHAMP experienced a Doppler frequency shift due to the rapid motion across the resonance region. Polarization hodograms in the resonance region clearly showed the expected 90° rotation of the field line resonant magnetic field components.

The resonating group method three cluster approach to the ground state 9 Li nucleus structure

International Nuclear Information System (INIS)

Filippov, G.F.; Pozdnyakov, Yu.A.; Terenetsky, K.O.; Verbitsky, V.P.

1994-01-01

The three-cluster approach for light atomic nuclei is formulated in frame of the algebraic version of resonating group method. Overlap integral and Hamiltonian matrix elements on generating functions are obtained for 9 Li nucleus. All permissible by Pauli principle 9 Li different cluster nucleon permutations were taken into account in the calculations. The results obtained can be easily generalised on any three-cluster system up to 12 C. Matrix elements obtained in the work were used in the variational calculations of the ground state energetic and geometric 9 Li characteristics. It is shown that 9 Li ground state is not adequate to the shell model limit and has pronounced three-cluster structure. (author). 16 refs., 4 tab., 2 figs

Ground Reaction Forces Generated During Rhythmical Squats as a Dynamic Loads of the Structure

Science.gov (United States)

Pantak, Marek

2017-10-01

Dynamic forces generated by moving persons can lead to excessive vibration of the long span, slender and lightweight structure such as floors, stairs, stadium stands and footbridges. These dynamic forces are generated during walking, running, jumping and rhythmical body swaying in vertical or horizontal direction etc. In the paper the mathematical models of the Ground Reaction Forces (GRFs) generated during squats have been presented. Elaborated models was compared to the GRFs measured during laboratory tests carried out by author in wide range of frequency using force platform. Moreover, the GRFs models were evaluated during dynamic numerical analyses and dynamic field tests of the exemplary structure (steel footbridge).

Sorption Mechanisms of Cesium on Cu II2Fe II(CN) 6and Cu II3[Fe III(CN) 6] 2Hexacyanoferrates and Their Relation to the Crystalline Structure

Science.gov (United States)

Ayrault, S.; Jimenez, B.; Garnier, E.; Fedoroff, M.; Jones, D. J.; Loos-Neskovic, C.

1998-12-01

CuII2FeII(CN)6·xH2O and CuII3[FeIII(CN)6]2·xH2O can be prepared with reproducible chemical compositions and structures after careful washing. They have cubicFmoverline3mstructures with iron vacancies. In CuII2FeII(CN)6, copper occupies two different sites: Cu1 in position 4blinked to Fe through the CN groups, and Cu2 not linked to the CN groups and partially occupying the interstitial 24epositions. The second type of site is not present in CuII3[FeIII(CN)6]2. Sorption kinetics and isotherms were determined for cesium on both hexacyanoferrates by batch experiments. On CuII3[FeIII(CN)6]2, the maximum uptake is only 0.073 Cs/Fe (at./at.). On CuII2FeII(CN)6, the uptake reaches 1.5 Cs/Fe. The sorption kinetics include at least two steps: at1/2variation until approximately 72 h and then a slow evolution studied up to 6 months. The sorption mechanism is complex. The main process seems to be diffusion of ion pairs, followed by a reorganization of the solid, resulting in one or more new solid phases. The presence of the Cu2 site seems to play a favorable role in the sorption. Owing to its good midterm stability and the first rapid step of exchange, CuII2FeII(CN)6·xH2O seems to be one of the most promising compounds for the recovery of cesium from nuclear liquid wastes.

Structure Learning and Statistical Estimation in Distribution Networks - Part II

Energy Technology Data Exchange (ETDEWEB)

Deka, Deepjyoti [Univ. of Texas, Austin, TX (United States); Backhaus, Scott N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chertkov, Michael [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-02-13

Limited placement of real-time monitoring devices in the distribution grid, recent trends notwithstanding, has prevented the easy implementation of demand-response and other smart grid applications. Part I of this paper discusses the problem of learning the operational structure of the grid from nodal voltage measurements. In this work (Part II), the learning of the operational radial structure is coupled with the problem of estimating nodal consumption statistics and inferring the line parameters in the grid. Based on a Linear-Coupled(LC) approximation of AC power flows equations, polynomial time algorithms are designed to identify the structure and estimate nodal load characteristics and/or line parameters in the grid using the available nodal voltage measurements. Then the structure learning algorithm is extended to cases with missing data, where available observations are limited to a fraction of the grid nodes. The efficacy of the presented algorithms are demonstrated through simulations on several distribution test cases.

Synthesis, structure and some properties of a manganese(II) benzoate containing diimine

Science.gov (United States)

Paul, Pranajit; Roy, Subhadip; Sarkar, Sanjoy; Chowdhury, Shubhamoy; Purkayastha, R. N. Dutta; Raghavaiah, Pallepogu; McArdle, Patrick; Deb, Lokesh; Devi, Sarangthem Indira

2015-12-01

A new monomeric manganese(II) benzoate complex containing nitrogen donor 2,2‧-bipyridine, [Mn(OBz)2(bipy)(H2O)] (OBz = benzoate, bipy = 2,2‧-bipyridine) has been synthesized from aqueous methanol medium and characterized by analytical, spectroscopic and single crystal X-ray diffraction studies. The compound exhibits moderate to appreciable antimicrobial activity. The complex crystallizes in space group P21/n. Mn(II) atom is ligated by two N atoms of bipyridine, three O atoms from a monodentate and a bidentate benzoate ligand and a water molecule forming distorted octahedral structure. The coordinated water molecule forms intramolecular hydrogen bonds and links the monomer molecules into hydrogen bonded dimer. The hydrogen bonded dimers are involved in intermolecular C-H···O and π-π stacking interactions. Density functional theory (DFT) computation was carried out to compute the frequencies of relevant vibrational modes and electronic properties, the results are in compliance with the experimentally obtained structural and spectral data.

Required number of records for ASCE/SEI 7 ground-motion scaling procedure

Science.gov (United States)

Reyes, Juan C.; Kalkan, Erol

2011-01-01

The procedures and criteria in 2006 IBC (International Council of Building Officials, 2006) and 2007 CBC (International Council of Building Officials, 2007) for the selection and scaling ground-motions for use in nonlinear response history analysis (RHA) of structures are based on ASCE/SEI 7 provisions (ASCE, 2005, 2010). According to ASCE/SEI 7, earthquake records should be selected from events of magnitudes, fault distance, and source mechanisms that comply with the maximum considered earthquake, and then scaled so that the average value of the 5-percent-damped response spectra for the set of scaled records is not less than the design response spectrum over the period range from 0.2Tn to 1.5Tn sec (where Tn is the fundamental vibration period of the structure). If at least seven ground-motions are analyzed, the design values of engineering demand parameters (EDPs) are taken as the average of the EDPs determined from the analyses. If fewer than seven ground-motions are analyzed, the design values of EDPs are taken as the maximum values of the EDPs. ASCE/SEI 7 requires a minimum of three ground-motions. These limits on the number of records in the ASCE/SEI 7 procedure are based on engineering experience, rather than on a comprehensive evaluation. This study statistically examines the required number of records for the ASCE/SEI 7 procedure, such that the scaled records provide accurate, efficient, and consistent estimates of" true" structural responses. Based on elastic-perfectly-plastic and bilinear single-degree-of-freedom systems, the ASCE/SEI 7 scaling procedure is applied to 480 sets of ground-motions. The number of records in these sets varies from three to ten. The records in each set were selected either (i) randomly, (ii) considering their spectral shapes, or (iii) considering their spectral shapes and design spectral-acceleration value, A(Tn). As compared to benchmark (that is, "true") responses from unscaled records using a larger catalog of ground

Near-Field Ground Motion Modal versus Wave Propagation Analysis

Directory of Open Access Journals (Sweden)

Artur Cichowicz

2010-01-01

Full Text Available The response spectrum generally provides a good estimate of the global displacement and acceleration demand of far-field ground motion on a structure. However, it does not provide accurate information on the local shape or internal deformation of the response of the structure. Near-field pulse-like ground motion will propagate through the structure as waves, causing large, localized deformation. Therefore, the response spectrum alone is not a sufficient representation of near-field ground motion features. Results show that the drift-response technique based on a continuous shear-beam model has to be employed here to estimate structure-demand parameters when structure is exposed to the pulse like ground motion. Conduced modeling shows limited applicability of the drift spectrum based on the SDOF approximation. The SDOF drift spectrum approximation can only be applied to structures with smaller natural periods than the dominant period of the ground motion. For periods larger than the dominant period of ground motion the SDOF drift spectra model significantly underestimates maximum deformation. Strong pulse-type motions are observed in the near-source region of large earthquakes; however, there is a lack of waveforms collected from small earthquakes at very close distances that were recorded underground in mines. The results presented in this paper are relevant for structures with a height of a few meters, placed in an underground excavation. The strong ground motion sensors recorded mine-induced earthquakes in a deep gold mine, South Africa. The strongest monitored horizontal ground motion was caused by an event of magnitude 2 at a distance of 90 m with PGA 123 m/s2, causing drifts of 0.25%–0.35%. The weak underground motion has spectral characteristics similar to the strong ground motion observed on the earth's surface; the drift spectrum has a maximum value less than 0.02%.

Two new Zn(II) and Cd(II) coordinastion polymers based on amino-tetrazole and phenylcarboxylate: Syntheses, topological structures and photoluminescent properties

International Nuclear Information System (INIS)

Liu, Dong-Sheng; Sui, Yan; Chen, Weng-Tong; Huang, Jian-Gen; Chen, Jian-Zhong; Huang, Chang-Cang

2012-01-01

Two Zn(II) and Cd(II) compounds with the in-situ generated ligand of 5-amino-tetrazolate (atz − ) were prepared from the hydrothermal reactions of the corresponding Cd or Zn(II) salts with phenylcarboxylate, and characterized by elemental analysis, IR spectroscopy, and TGA. The results of X-ray crystallographic analysis reveal that compound [Zn 2 (BZA)(atz) 2 (OH)] n (1) (BZA=benzoic acid) presents a two-dimensional (2D) “hcb” topological network constructed from the ZnN 2 O 2 tetrahedra. In compound [Cd 6 (atz) 6 (PTA) 3 ] n (2) (PTA=terephthalic acid), the identical [Cd 3 (atz) 3 )] 3+ n clusters are connected by atz ligands to generate a 2D cationic layer, and the neighboring cationic layers are pillared by PTA giving birth to 3D network. After simplifying, the complicated 3D network of 2 can be presented as an unprecedented (4, 4, 10)-connected trinodal topology. The formations of the structures show a good example that using the combination of the in-situ generated ligand and other coligand synthetic strategy can construct interesting topological structures. The thermal stabilities and fluorescent properties of the complexes have also been studied. - Graphical abstract: Two d 10 metal complexes have been synthesized by employing mixed-ligand synthetic approach. Complex 1 presents a 2D “hcb” topological network. Complex 2 shows an unprecedented (4, 4, 10)-connected trinodal topology. Highlights: ► Coligand synthetic strategy was applied to obtain new MOFs with useful properties. ► Two new Zn(II) and Cd(II) complexes were constructed from the mixed-ligand. ► Topologically, compound 2 presented an unprecedented (4, 4, 10)-connected trinodal topology. ► The two compounds may be excellent candidates for potential photoactive material.

A Simple Response Evaluation Method for Base-Isolation Building-Connection Hybrid Structural System under Long-Period and Long-Duration Ground Motion

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Kohei Hayashi

2018-02-01

Full Text Available An innovative hybrid control building system of base-isolation and building-connection has been proposed in the previous study. This system has two advantages, (i to resist an impulsive earthquake input through the base-isolation system and (ii to withstand a long-duration earthquake input through the building-connection system. A simple response evaluation method without the need of non-linear time–history response analysis is proposed here for this hybrid building system under a long-period and long-duration ground motion. An analytical expression is derived in the plastic deformation of an elastic–perfectly plastic single-degree-of-freedom (SDOF model with viscous damping under the multi-impulse, which is the representative of long-period and long-duration ground motions. A transformation procedure of a base-isolation building-connection hybrid structural system into an SDOF model is proposed by introducing two steps, one is the reduction of the main base-isolated building to an SDOF system, and the other is the reduction of the connecting oil dampers supported on a free-wall to an oil damper with a newly introduced compensation factor on a rigid wall. Application of the analytical expression of the plastic deformation to the reduced SDOF model including the compensation factor on the connecting oil dampers enables the development of a simplified, but rather accurate response evaluation method. The time–history response analysis of the multi-degree-of-freedom model and the comparison with the proposed simplified formula make clear the accuracy and reliability of the proposed simplified response evaluation method.

Synthesis, spectroscopic and DNA binding ability of CoII, NiII, CuII and ZnII complexes of Schiff base ligand (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol. X-ray crystal structure determination of cobalt (II) complex.

Science.gov (United States)

Yarkandi, Naeema H; El-Ghamry, Hoda A; Gaber, Mohamed

2017-06-01

A novel Schiff base ligand, (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol (HL), has been designed and synthesized in addition to its metal chelates [Co(L) 2 ]·l2H 2 O, [Ni(L)Cl·(H 2 O) 2 ].5H 2 O, [Cu(L)Cl] and [Zn(L)(CH 3 COO)]. The structures of the isolated compounds have been confirmed and identified by means of different spectral and physicochemical techniques including CHN analysis, 1 H & 13 C NMR, mass spectral analysis, molar conductivity measurement, UV-Vis, infrared, magnetic moment in addition to TGA technique. The infrared spectral results ascertained that the ligand acts as monobasic tridentate binding to the metal centers via deprotonated hydroxyl oxygen, azomethine and imidazole nitrogen atoms. The UV-Vis, magnetic susceptibility and molar conductivity data implied octahedral geometry for Co(II) & Ni(II) complexes, tetrahedral for Zn(II) complex and square planar for Cu(II) complex. X-ray structural analysis of Co(II) complex 1 has been reported and discussed. Moreover, the type of interaction between the ligand & its complexes towards salmon sperm DNA (SS-DNA) has been examined by the measurement of absorption spectra and viscosity which confirmed that the ligand and its complexes interact with DNA via intercalation interaction as concluded from the values of binding constants (K b ). Copyright © 2017 Elsevier B.V. All rights reserved.

Tin( ii ) ketoacidoximates: synthesis, X-ray structures and processing to tin( ii ) oxide

KAUST Repository

Khanderi, Jayaprakash

2015-10-21

Tin(ii) ketoacidoximates of the type [HONCRCOO]Sn (R = Me 1, CHPh 2) and (MeONCMeCOO)Sn] NH·2HO 3 were synthesized by reacting pyruvate- and hydroxyl- or methoxylamine RONH (R = H, Me) with tin(ii) chloride dihydrate SnCl·2HO. The single crystal X-ray structure reveals that the geometry at the Sn atom is trigonal bipyramidal in 1, 2 and trigonal pyramidal in 3. Inter- or intramolecular hydrogen bonding is observed in 1-3. Thermogravimetric (TG) analysis shows that the decomposition of 1-3 to SnO occurs at ca. 160 °C. The evolved gas analysis during TG indicates complete loss of the oximato ligand in one step for 1 whereas a small organic residue is additionally removed at temperatures >400 °C for 2. Above 140 °C, [HONC(Me)COO]Sn (1) decomposes in air to spherical SnO particles of size 10-500 nm. Spin coating of 1 on Si or a glass substrate followed by heating at 200 °C results in a uniform film of SnO. The band gap of the produced SnO film and nanomaterial was determined by diffuse reflectance spectroscopy to be in the range of 3.0-3.3 eV. X-ray photoelectron spectroscopy indicates surface oxidation of the SnO film to SnO in ambient atmosphere.

Applications in soil-structure interactions. Final report, June 1979

International Nuclear Information System (INIS)

Jhaveri, D.P.

1979-01-01

Complex phenomenon of soil-structure interaction was assessed. Relationships between the characteristics of the earthquake ground motions, the local soil and geologic conditions, and the response of the structures to the ground motions were studied. (I) The use of the explicit finite-difference method to study linear elastic soil-structure interaction is described. A linear two-dimensional study of different conditions that influence the dynamic compliance and scattering properties of foundations is presented. (II) The FLUSH computer code was used to compute the soil-structure interaction during SIMQUAKE 1B, an experimental underground blast excitation of a 1/12-scale model of a nuclear containment structure. Evaluation was performed using transient excitation, applied to a finite-difference grid. Dynamic foundation properties were studied. Results indicate that the orientation and location of the source relative to the site and the wave environment at the site may be important parameters to be considered. Differences between the computed and experimental recorded responses are indicated, and reasons for the discrepancy are suggested. (III) A case study that examined structural and ground response data tabulated and catalogued from tests at the Nevada Test Site for its applicability to the soil-structure interaction questions of interest is presented. Description, methods, and evaluation of data on soil-structure interaction from forced vibration tests are presented. A two-dimensional finite-difference grid representing a relatively rigid structure resting on uniform ground was analyzed and monitored. Fourier spectra of monitored time histories were also evaluated and are presented. Results show clear evidence of soil-structure interaction and significant agreement with theory. 128 figures, 18 tables

Unprecedented Hexanuclear Cobalt(II Nonsymmetrical Salamo-Based Coordination Compound: Synthesis, Crystal Structure, and Photophysical Properties

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Zong-Li Ren

2018-03-01

Full Text Available A novel hexanuclear Co(II coordination compound with a nonsymmetrical Salamo-type bisoxime ligandH4L, namely [{Co3(HL(MeO(MeOH2(OAc2}2]·2MeOH, was prepared and characterized by elemental analyses, UV–vis, IR and fluorescence spectra, and X-ray single-crystal diffraction analysis. Each Co(II is hexacoordinated, and possesses a distorted CoO6 or CoO4N2 octahedrons. The Co(II coordination compound possesses a self-assembled infinite 2D supramolecular structure with the help of the intermolecular C–H···O interactions. Meanwhile, the photophysical properties of the Co(II coordination compound were studied.

Temperature and emission-line structure at the edges of H II regions

International Nuclear Information System (INIS)

Mallik, D.C.V.

1975-01-01

Models of ionization fronts located at the edges of expanding H ii regions are presented. These fronts are of the weak D-type and are preceded by shocks in the H i clouds. Since the energy input time is smaller than the cooling time, the gas is found to heat up to a high temperature immediately following ionization. At the trailing edge of the front, the temperature decreases and the ionized gas merges with the main bulk of the nebula where the physical processes are in equilibrium. The emission in O ii and N ii lines is greatly enhanced because of the high temperature at the front. The emission in these and other important lines is calculated and compared with Hβ. Effects of different velocities of flow, of different exciting stars, and of different gas densities on the structure of the fronts are also investigated

Ormosil Beads for Insulation of Ground Cryogenic Storage Tanks, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — Organically modified silica (Ormosil) aerogel beads developed at Aspen Aerogels, Inc. offer several advantages for retrofitting perlite insulation in NASA's ground...

Entrepreneurial Orientation of Community College Workforce Divisions and the Impact of Organizational Structure: A Grounded Theory Study

Science.gov (United States)

Schiefen, Kathleen M.

2010-01-01

This research focused on how organizational structure of community colleges influenced the entrepreneurial orientation of deans, directors, vice presidents, and vice chancellors of workforce units. Using grounded theory methodology, the researcher identified three emergent theories applicable to both integrated and separate workforce units. These…

Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding

International Nuclear Information System (INIS)

Vaezeslami, Soheila; Jia, Xiaofei; Vasileiou, Chrysoula; Borhan, Babak; Geiger, James H.

2008-01-01

A water network stabilizes the structure of cellular retionic acid binding protein II. The structural integrity of cellular retinoic acid-binding protein II (CRABPII) has been investigated using the crystal structures of CRABPII mutants. The overall fold was well maintained by these CRABPII mutants, each of which carried multiple different mutations. A water-mediated network is found to be present across the large binding cavity, extending from Arg111 deep inside the cavity to the α2 helix at its entrance. This chain of interactions acts as a ‘pillar’ that maintains the integrity of the protein. The disruption of the water network upon loss of Arg111 leads to decreased structural integrity of the protein. A water-mediated network can be re-established by introducing the hydrophilic Glu121 inside the cavity, which results in a rigid protein with the α2 helix adopting an altered conformation compared with wild-type CRABPII

Infrasonic induced ground motions

Science.gov (United States)

Lin, Ting-Li

On January 28, 2004, the CERI seismic network recorded seismic signals generated by an unknown source. Our conclusion is that the acoustic waves were initiated by an explosive source near the ground surface. The meteorological temperature and effective sound speed profiles suggested existence of an efficient near-surface waveguide that allowed the acoustic disturbance to propagate to large distances. An explosion occurring in an area of forest and farms would have limited the number of eyewitnesses. Resolution of the source might be possible by experiment or by detailed analysis of the ground motion data. A seismo-acoustic array was built to investigate thunder-induced ground motions. Two thunder events with similar N-wave waveforms but different horizontal slownesses are chosen to evaluate the credibility of using thunder as a seismic source. These impulsive acoustic waves excited P and S reverberations in the near surface that depend on both the incident wave horizontal slowness and the velocity structure in the upper 30 meters. Nineteen thunder events were chosen to further investigate the seismo-acoustic coupling. The consistent incident slowness differences between acoustic pressure and ground motions suggest that ground reverberations were first initiated somewhat away from the array. Acoustic and seismic signals were used to generate the time-domain transfer function through the deconvolution technique. Possible non-linear interaction for acoustic propagation into the soil at the surface was observed. The reverse radial initial motions suggest a low Poisson's ratio for the near-surface layer. The acoustic-to-seismic transfer functions show a consistent reverberation series of the Rayleigh wave type, which has a systematic dispersion relation to incident slownesses inferred from the seismic ground velocity. Air-coupled Rayleigh wave dispersion was used to quantitatively constrain the near-surface site structure with constraints afforded by near-surface body

Investigation of the relationship between ground and engineering ...

Indian Academy of Sciences (India)

In order to investigate possible ground motion amplification in earthquake resistant building design, relationship between the ground and engineering bedrock must be ensured. In order to provide this relation, structure, basic characteristics, and thickness of the ground are investigated. In this context, calculating ground ...

Synthesis and crystal structure of two lead (II) complexes with 1,10-phenanthroline ligand

International Nuclear Information System (INIS)

Olivera, Fiorella L.; Santillan, Guillermo A.

2012-01-01

Two coordination complexes have been synthesized by the reaction of lead nitrate (II) with 1,10-phenanthroline in methanol/water. The crystals of these complexes were obtained by using the diffusion method and structurally characterized by X-ray single crystal diffraction. Both complexes crystallized in the monoclinic space group P2 1 /c. The analysis by crystal X-ray diffraction reveals that in both complexes the coordination around the lead (II) ion is a distorted octahedral structure where the ion is bonded to the heterocyclic nitrogen atoms of chelating ligand 1,10-phenanthroline, three oxygen atoms of three nitrate groups and one oxygen from the water molecule. The difference between the complexes lies in the way of nitrate ion in presence of carboxylic acid aromatics. In addition, the crystal structure of complexes can be regarded as a 3D coordination polymer through Pb-O weak interactions, hydrogen bonds and π-π stacking interactions. (author).

Materials science in microelectronics II the effects of structure on properties in thin films

CERN Document Server

Machlin, Eugene

2005-01-01

The subject matter of thin-films - which play a key role in microelectronics - divides naturally into two headings: the processing / structure relationship, and the structure / properties relationship. Part II of 'Materials Science in Microelectronics' focuses on the latter of these relationships, examining the effect of structure on the following: Electrical properties Magnetic properties Optical properties Mechanical properties Mass transport properties Interface and junction properties Defects and properties Captures the importance of thin films to microelectronic development Examines the cause / effect relationship of structure on thin film properties.

Mn(HPO3): A new manganese (II) phosphite with a condensed structure

International Nuclear Information System (INIS)

Chung, U-Chan; Mesa, Jose L.; Pizarro, Jose L.; Jubera, Veronique; Lezama, Luis; Arriortua, Maria I.; Rojo, Teofilo

2005-01-01

A new manganese (II) phosphite with the formula Mn(HPO 3 ) has been synthesised under mild hydrothermal conditions and autogenous pressure. Large pink coloured single crystals were obtained, allowing the resolution of the structure by x-ray diffraction. Mn(HPO 3 ) crystallises in the P2 1 /c monoclinic space group with a=8.036(3) A, b=8.240(3) A, c=10.410(3) A, β=124.73(3) deg. and Z=8. The structure consists of a three-dimensional, compact framework of edge sharing MnO 6 octahedra linked to phosphite groups via oxygens. The presence of the phosphite anion has been confirmed by IR spectroscopy. Mn(HPO 3 ) presents a high thermal stability limit of 580 deg. C, before rapid transformation to Mn 2 P 2 O 7 occurs. Photoluminescence and diffuse reflectance spectroscopy studies show the presence of high spin Mn(II) in significantly distorted octahedral coordination with Dq and Racah parameters of Dq=820, B=910 and C=3135 cm -1 . The ESR spectra, performed at different temperatures, are isotropic with a g-value of 2.00(1). Magnetic measurements indicate global antiferromagnetic interactions with a ferromagnetic transition at 15 K, attributed to a canting of the antiferromagneticaly aligned spins. - Graphical abstract: Crystal structure of Mn(HPO 3 )

Synthesis, crystal structure of and DFT calculations on bisglycinato-bis[p-(hydroxymethylpyridine]nickel(II

Directory of Open Access Journals (Sweden)

FANG FANG JIAN

2010-09-01

Full Text Available The main aim of this study was to investigate the relationship between mIn tA new Ni(II complex of bisglycinato-bis[p-(hydroxylmethylpy-ridine] was synthesized and characterized by elemental analysis, IR, UV–Vis spectroscopy and X-ray single crystal diffraction analysis. The thermal stability of the title complex was also determined. The complex adopts a distorted octahedral geometry and possesses inversion symmetry with the Ni(II ion as the center of inversion. Density function theory (DFT calculations of the structure, electronic absorption spectra, electron structure and natural population analysis (NPA at the B3LYP/LANL2DZ level of theory were performed. The predicted geometric parameters and electronic spectra were compared with the experimental values and they supported each other. The NPA results indicate that the electronic transitions were mainly derived from the contribution of an intra-ligand (IL transition, a ligand-to-metal charge transfer (LMCT transition and a d-d transition. The electron structure calculations suggest that the central Ni(II ion uses its 4s and 3d orbitals to form covalent bonds with coordinated N and O atoms. The calculated bond orders are also consistent with the thermal decomposition results. Based on vibrational analysis, the thermodynamic properties of the title complex were predicted and the correlative equations between these thermodynamic properties and temperature are also reported.

Seismic response of the EBR-II to the Mt. Borah earthquake

International Nuclear Information System (INIS)

Gale, J.G.; Lehto, W.K.

1985-01-01

On October 28, 1983, an earthquake of magnitude 7.3 occurred in the mountains of central Idaho at a distance of 114-km from the ANL-West site. The earthquake tripped the seismic sensors in the EBR-II reactor shutdown system causing a reactor scram. Visual and operability checks of structures, components, and systems showed no indication of damage or system abnormalities and reactor restart was initiated. As a result of the earthquake, questions arose as to the magnitude of the actual stress levels in critical components and what value of ground acceleration could be experienced without damage to reactor structures. EBR-II was designed prior to implementation of present day requirements for seismic qualification and appropriate analyses had not been conducted. A lumped-mass, finite element model of the primary tank, support structure, and the reactor was generated and analyzed using the response spectrum technique. The analysis showed that the stress levels in the primary tank system were very low during the Mount Borah earthquake and that the system could experience seismic loadings three to four times those of the Mount Borah earthquake without exceeding yield stresses in any of the components

Influence of crystal structure on the CoII diffusion behavior in the Zn1-xCoxO system

International Nuclear Information System (INIS)

Peiteado, M.; Makovec, D.; Villegas, M.; Caballero, A.C.

2008-01-01

The solid state interaction of the Zn 1-x Co x O nominal system is investigated by means of diffusion couples and analysis of co-precipitated samples. The formation of a homogeneous Co:ZnO solid solution is found to be determined by the crystal structure from which Co II ions diffuse into the wurtzite lattice. No diffusion is observed whenever the CoO rock-salt structure is formed from the Co II precursor. On the contrary, the diffusion from the Co 3 O 4 spinel phase is feasible but has a limited temperature range defined by the reduction at a high temperature of Co III -Co II , since this process again leads to the formation of the rock-salt structure. However, when using a highly reactive and homogeneous co-precipitated starting powder, neither the spinel phase nor the rock-salt structure is formed, and a Co II :ZnO solid solution is obtained, which remains stable up to high temperatures. - Graphical abstract: Maximum diffusion distance for the ZnO-CoO x couple as a function of temperature. Dashed gray lines represent the temperature values at which the transformations between CoO and Co 3 O 4 compounds take place

Aerodynamic forces and flow structures of the leading edge vortex on a flapping wing considering ground effect

International Nuclear Information System (INIS)

Truong, Tien Van; Yoon, Kwang Joon; Byun, Doyoung; Kim, Min Jun; Park, Hoon Cheol

2013-01-01

The aim of this work is to provide an insight into the aerodynamic performance of the beetle during takeoff, which has been estimated in previous investigations. We employed a scaled-up electromechanical model flapping wing to measure the aerodynamic forces and the three-dimensional flow structures on the flapping wing. The ground effect on the unsteady forces and flow structures were also characterized. The dynamically scaled wing model could replicate the general stroke pattern of the beetle's hind wing kinematics during takeoff flight. Two wing kinematic models have been studied to examine the influences of wing kinematics on unsteady aerodynamic forces. In the first model, the angle of attack is asymmetric and varies during the translational motion, which is the flapping motion of the beetle's hind wing. In the second model, the angle of attack is constant during the translational motion. The instantaneous aerodynamic forces were measured for four strokes during the beetle's takeoff by the force sensor attached at the wing base. Flow visualization provided a general picture of the evolution of the three-dimensional leading edge vortex (LEV) on the beetle hind wing model. The LEV is stable during each stroke, and increases radically from the root to the tip, forming a leading-edge spiral vortex. The force measurement results show that the vertical force generated by the hind wing is large enough to lift the beetle. For the beetle hind wing kinematics, the total vertical force production increases 18.4% and 8.6% for the first and second strokes, respectively, due to the ground effect. However, for the model with a constant angle of attack during translation, the vertical force is reduced during the first stroke. During the third and fourth strokes, the ground effect is negligible for both wing kinematic patterns. This finding suggests that the beetle's flapping mechanism induces a ground effect that can efficiently lift its body from the ground during takeoff

ESF GROUND SUPPORT - STRUCTURAL STEEL ANALYSIS

Energy Technology Data Exchange (ETDEWEB)

T. Misiak

1996-06-26

The purpose and objective of this analysis are to expand the level of detail and confirm member sizes for steel sets included in the Ground Support Design Analysis, Reference 5.20. This analysis also provides bounding values and details and defines critical design attributes for alternative configurations of the steel set. One possible configuration for the steel set is presented. This analysis covers the steel set design for the Exploratory Studies Facility (ESF) entire Main Loop 25-foot diameter tunnel.

Intercomparison of Vertical Structure of Storms Revealed by Ground-Based (NMQ and Spaceborne Radars (CloudSat-CPR and TRMM-PR

Directory of Open Access Journals (Sweden)

Veronica M. Fall

2013-01-01

Full Text Available Spaceborne radars provide great opportunities to investigate the vertical structure of clouds and precipitation. Two typical spaceborne radars for such a study are the W-band Cloud Profiling Radar (CPR and Ku-band Precipitation Radar (PR, which are onboard NASA’s CloudSat and TRMM satellites, respectively. Compared to S-band ground-based radars, they have distinct scattering characteristics for different hydrometeors in clouds and precipitation. The combination of spaceborne and ground-based radar observations can help in the identification of hydrometeors and improve the radar-based quantitative precipitation estimation (QPE. This study analyzes the vertical structure of the 18 January, 2009 storm using data from the CloudSat CPR, TRMM PR, and a NEXRAD-based National Mosaic and Multisensor QPE (NMQ system. Microphysics above, within, and below the melting layer are studied through an intercomparison of multifrequency measurements. Hydrometeors’ type and their radar scattering characteristics are analyzed. Additionally, the study of the vertical profile of reflectivity (VPR reveals the brightband properties in the cold-season precipitation and its effect on the radar-based QPE. In all, the joint analysis of spaceborne and ground-based radar data increases the understanding of the vertical structure of storm systems and provides a good insight into the microphysical modeling for weather forecasts.

Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of NiII-LnIII-WV Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.

Science.gov (United States)

Vieru, Veacheslav; Pasatoiu, Traian D; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F

2016-12-05

The polynuclear compounds containing anisotropic metal ions often exhibit efficient barriers for blocking of magnetization at fairly arbitrary geometries. However, at variance with mononuclear complexes, which usually become single-molecule magnets (SMM) under the sole requirement of a highly axial crystal field at the metal ion, the factors influencing the SMM behavior in polynuclear complexes, especially, with weakly axial magnetic ions, still remain largely unrevealed. As an attempt to clarify these conditions, we present here the synthesis, crystal structures, magnetic behavior, and ab initio calculations for a new series of Ni II -Ln III -W V trimetallics, [(CN) 7 W(CN)Ni(H 2 O)(valpn)Ln(H 2 O) 4 ]·H 2 O (Ln = Y 1, Eu 2, Gd 3, Tb 4, Dy 5, Lu 6). The surprising finding is the absence of the magnetic blockage even for compounds involving strongly anisotropic Dy III and Tb III metal ions. This is well explained by ab initio calculations showing relatively large transversal components of the g-tensor in the ground exchange Kramers doublets of 1 and 4 and large intrinsic tunneling gaps in the ground exchange doublets of 3 and 5. In order to get more insight into this behavior, another series of earlier reported compounds with the same trinuclear [W V Ni II Ln III ] core structure, [(CN) 7 W(CN)Ni(dmf)(valdmpn)Ln(dmf) 4 ]·H 2 O (Ln = Gd III 7, Tb III 8a, Dy III 9, Ho III 10), [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Tb(dmf) 2.5 (H 2 O) 1.5 ]·H 2 O·0.5dmf 8b, and [(CN) 7 W(CN)Ni(H 2 O)(valdmpn)Er(dmf) 3 (H 2 O) 1 ]·H 2 O·0.5dmf 11, has been also investigated theoretically. In this series, only 8b exhibits SMM behavior which is confirmed by the present ab initio calculations. An important feature for the entire series is the strong ferromagnetic coupling between Ni(II) and W(V), which is due to an almost perfect trigonal dodecahedron geometry of the octacyano wolframate fragment. The reason why only 8b is an SMM is explained by positive zero-field splitting on the nickel

Development of Optimal Viscous Dampers for RC Structures in Near Field Ground Motions

International Nuclear Information System (INIS)

Puthanpurayil, Arun M.; Reynolds, Paul

2008-01-01

Recent researches show that more than 50% of the economic loss in earthquakes is due to damage of non-structural elements: $8 billion loss in the 1989 Loma Prieta earthquake and $18.5 billion in the 1994 Northridge earthquake. An approach to reduce the economic loss during a seismic event without compromising the structural safety aspect is to incorporate special mechanical devices like fluid viscous dampers in the parent structural system. A recent study carried out to assess the efficacy of viscous dampers in reducing nonstructural damage of low, medium and high rise structures shows that; linear dampers are well suited for low rise category whereas the medium and high rise category requires nonlinear dampers. In this paper an analytical approach is adopted to derive the optimal combination of damper design parameters for all the three categories of structure subjected to near field ground motion. Linear time history analysis by direct time integration was carried out for the linear viscous dampers, while the parameters of the nonlinear viscous dampers were obtained using nonlinear modal time history analysis (Fast Nonlinear analysis). The results of the study are presented in the form of a set of design curves which can be used for the initial selection of parameters for Damper design

Early Site Permit Demonstration Program: Guidelines for determining design basis ground motions

International Nuclear Information System (INIS)

1993-01-01

This report develops and applies a methodology for estimating strong earthquake ground motion. The motivation was to develop a much needed tool for use in developing the seismic requirements for structural designs. An earthquake's ground motion is a function of the earthquake's magnitude, and the physical properties of the earth through which the seismic waves travel from the earthquake fault to the site of interest. The emphasis of this study is on ground motion estimation in Eastern North America (east of the Rocky Mountains), with particular emphasis on the Eastern United States and southeastern Canada. Eastern North America is a stable continental region, having sparse earthquake activity with rare occurrences of large earthquakes. While large earthquakes are of interest for assessing seismic hazard, little data exists from the region to empirically quantify their effects. The focus of the report is on the attributes of ground motion in Eastern North America that are of interest for the design of facilities such as nuclear power plants. This document, Volume II, contains Appendices 2, 3, 5, 6, and 7 covering the following topics: Eastern North American Empirical Ground Motion Data; Examination of Variance of Seismographic Network Data; Soil Amplification and Vertical-to-Horizontal Ratios from Analysis of Strong Motion Data From Active Tectonic Regions; Revision and Calibration of Ou and Herrmann Method; Generalized Ray Procedure for Modeling Ground Motion Attenuation; Crustal Models for Velocity Regionalization; Depth Distribution Models; Development of Generic Site Effects Model; Validation and Comparison of One-Dimensional Site Response Methodologies; Plots of Amplification Factors; Assessment of Coupling Between Vertical ampersand Horizontal Motions in Nonlinear Site Response Analysis; and Modeling of Dynamic Soil Properties

A Compact Wideband Dual-Polarized Antenna with Harmonic Suppression Using Nonuniform Defected Ground Structure

Directory of Open Access Journals (Sweden)

Lana Damaj

2015-01-01

Full Text Available A wideband dual-polarized coplanar waveguide (CPW fed antenna integrating a wide stop-band filter is presented. The designed filter is based on a nonuniform defected ground structure (DGS in order to obtain a wide stop-band and a compact size. This filter is used to reject harmonics and spurious radiation arising from the RF front end. The complete structure (antenna and filter has been optimized to have a compact size of 0.6×0.6λ02 (λ0 being the free-space wavelength at the lowest operating frequency. The realized antenna operates in the frequency range between 2.7 GHz and 5.9 GHz (bandwidth of about 74%. The isolation between feeding ports is more than 18 dB. The complete structure has a wide stop-band characteristic (103% for harmonic rejection. The simulated numerical results have been confirmed with measurements.

Macrocyclic receptor showing extremely high Sr(II)/Ca(II) and Pb(II)/Ca(II) selectivities with potential application in chelation treatment of metal intoxication.

Science.gov (United States)

Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Tóth, Éva; de Blas, Andrés; Platas-Iglesias, Carlos; Rodríguez-Blas, Teresa

2011-04-18

Herein we report a detailed investigation of the complexation properties of the macrocyclic decadentate receptor N,N'-Bis[(6-carboxy-2-pyridil)methyl]-4,13-diaza-18-crown-6 (H(2)bp18c6) toward different divalent metal ions [Zn(II), Cd(II), Pb(II), Sr(II), and Ca(II)] in aqueous solution. We have found that this ligand is especially suited for the complexation of large metal ions such as Sr(II) and Pb(II), which results in very high Pb(II)/Ca(II) and Pb(II)/Zn(II) selectivities (in fact, higher than those found for ligands widely used for the treatment of lead poisoning such as ethylenediaminetetraacetic acid (edta)), as well as in the highest Sr(II)/Ca(II) selectivity reported so far. These results have been rationalized on the basis of the structure of the complexes. X-ray crystal diffraction, (1)H and (13)C NMR spectroscopy, as well as theoretical calculations at the density functional theory (B3LYP) level have been performed. Our results indicate that for large metal ions such as Pb(II) and Sr(II) the most stable conformation is Δ(δλδ)(δλδ), while for Ca(II) our calculations predict the Δ(λδλ)(λδλ) form being the most stable one. The selectivity that bp18c6(2-) shows for Sr(II) over Ca(II) can be attributed to a better fit between the large Sr(II) ions and the relatively large crown fragment of the ligand. The X-ray crystal structure of the Pb(II) complex shows that the Δ(δλδ)(δλδ) conformation observed in solution is also maintained in the solid state. The Pb(II) ion is endocyclically coordinated, being directly bound to the 10 donor atoms of the ligand. The bond distances to the donor atoms of the pendant arms (2.55-2.60 Å) are substantially shorter than those between the metal ion and the donor atoms of the crown moiety (2.92-3.04 Å). This is a typical situation observed for the so-called hemidirected compounds, in which the Pb(II) lone pair is stereochemically active. The X-ray structures of the Zn(II) and Cd(II) complexes show that

trans-Bis(N,N-diethylethylenediaminenickel(II dibromide

Directory of Open Access Journals (Sweden)

James P. Donahue

2011-01-01

Full Text Available The structure of the title compound, [Ni(C6H16N22]Br2 or [Ni(Et2en2]Br2 (Et2en is asymmetric N,N-diethylethylenediamine, containing an NiII atom (site symmetry overline{1} in square-planar NiN4 coordination, is described and contrasted with related structures containing NiII in octahedral coordination with axial X− ligands (X− = variable anions. The dialkylated N atom has an appreciably longer bond length to the NiII atom [1.9666 (13 Å] than does the unsubstituted N atom [1.9202 (14 Å]. The Ni—N bond lengths in [Ni(Et2en2]Br2 are significantly shorter than corresponding values in tetragonally distorted [Ni(Et2en2X2] compounds (X = −O2CCF3, OH2, or −NCS, which have a triplet ground state. The electronic configuration in these axially ligated [Ni(Et2en2X2] compounds populates the metal-based dx2-y2 orbital, which is Ni—N antibonding in character. Each Et2en ligand in each [Ni(Et2en2]2+ cation forms a pair of N—H...Br hydrogen bonds to the Br− anions, one above and below the NiN4 square plane. Thus, a ribbon of alternating Br− pairs and [Ni(Et2en2]2+ cations that are canted at 65° relative to one another is formed by hydrogen bonds.

Results of detailed ground geophysical surveys for locating and differentiating waste structures in waste management area 'A' at Chalk River Laboratories, Ontario

International Nuclear Information System (INIS)

Tomsons, D.K.; Street, P.J.; Lodha, G.S.

1999-01-01

Waste Management Area 'A' (WMA 'A'), located in the outer area of the Chalk River Laboratories (CRL) was in use as a waste burial site from 1946 to 1955. Waste management structures include debris-filled trenches, concrete bunkers and miscellaneous contaminated solid materials, and ditches and pits used for liquid dispersal. In order to update historical records, it was proposed to conduct detailed ground geophysical surveys to define the locations of waste management structures in WMA 'A', assist in planning of the drilling and sampling program to provide ground truth for the geophysics investigation and to predict the nature and locations of unknown/undefined shallow structures. A detailed ground geophysical survey grid was established with a total of 127 grid lines, oriented NNE and spaced one metre apart. The geophysical surveys were carried out during August and September, 1996. The combination of geophysical tools used included the Geonics EM61 metal detector, the GSM-19 magnetometer/gradiometer and a RAMAC high frequency ground penetrating radar system. The geophysical surveys were successful in identifying waste management structures and in characterizing to some extent, the composition of the waste. The geophysical surveys are able to determine the presence of most of the known waste management structures, especially in the western and central portions of the grid which contain the majority of the metallic waste. The eastern portion of the grid has a completely different geophysical character. While historical records show that trenches were dug, they are far less evident in the geophysical record. There is clear evidence for a trench running between lines 30E and 63E at 70 m. There are indications from the radar survey of other trench-like structures in the eastern portion. EM61 data clearly show that there is far less metallic debris in the eastern portion. The geophysical surveys were also successful in identifying previously unknown locations of waste

Picosecond kinetics of the electron-hole layers formation in wide-bandgap II-VI type-II heterostructures

Energy Technology Data Exchange (ETDEWEB)

Filatov, E.V.; Zaitsev, S.V.; Tartakovskii, I.I.; Maksimov, A.A. [Institute of Solid State Physics, Russian Academy of Sciences, 142432 Chernogolovka, Moscow region (Russian Federation); Yakovlev, D.R. [A.F. Ioffe Physico-Technical Institute, Russian Academy of Sciences, 194021 St. Petersburg (Russian Federation); Experimentelle Physik II, Technische Universitaet Dortmund (Germany); Waag, A. [Institute of Semiconductor Technology, Braunschweig Technical University, 38106 Braunschweig (Germany)

2010-06-15

Considerable slowdown of luminescence kinetics of the direct optical transition was discovered in ZnSe/BeTe type-II heterostructures under high levels of optical pumping. The effect is attributed to forming of a potential barrier for holes in the ZnSe layer due to band bending at high densities of spatially separated carriers. That results in a longer time of the photoexcited holes energy relaxation to their ground state in the BeTe layer. The decrease of overlapping of electron and hole wavefunctions in the ZnSe layer in thick ZnSe/BeTe structures at high levels of optical excitation reveals an additional important effect, that leads to sufficient retardation of radiative recombination time for photoexcited carriers (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Two interpenetrating Cu{sup II}/Ni{sup II}-coordinated polymers based on an unsymmetrical bifunctional N/O-tectonic: Syntheses, structures and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Liu, Yong-Liang [College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002 (China); Department of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Comprehensive Utilization of Tailings Resources, Shang Luo University, Shang Luo 726000 (China); Wu, Ya-Pan [College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002 (China); Li, Dong-Sheng, E-mail: lidongsheng1@126.com [College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002 (China); Dong, Wen-Wen [College of Materials & Chemical Engineering, China Three Gorges University, Yichang 443002 (China); Zhou, Chun-Sheng [Department of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Comprehensive Utilization of Tailings Resources, Shang Luo University, Shang Luo 726000 (China)

2015-03-15

Two new interpenetrating Cu{sup II}/Ni{sup II} coordination polymers, based on a unsymmetrical bifunctional N/O-tectonic 3-(pyrid-4′-yl)-5-(4″-carbonylphenyl)-1,2,4-triazolyl (H{sub 2}pycz), ([Cu-(Hpycz){sub 2}]·2H{sub 2}O){sub n} (1) and ([Ni(Hpycz){sub 2}]·H{sub 2}O){sub n} (2), have been solvothermally synthesized and structure characterization. Single crystal X-ray analysis indicates that compound 1 shows 2-fold parallel interpenetrated 4{sup 4}-sql layers with the same handedness. The overall structure of 1 is achiral—in each layer of doubly interpenetrating nets, the two individual nets have the opposite handedness to the corresponding nets in the adjoining layers—while 2 features a rare 8-fold interpenetrating 6{sup 6}-dia network that belongs to class IIIa interpenetration. In addition, compounds 1 and 2 both show similar paramagnetic characteristic properties. - Graphical abstract: Two new Cu(II)/Ni(II) coordination polymers present 2D parallel 2-fold interpenetrated 4{sup 4}-sql layers and a rare 3D 8-fold interpenetrating 6{sup 6}-dia network. In addition, magnetic susceptibility measurements show similar paramagnetic characteristic for two complexes. - Highlights: • A new unsymmetrical bifunctional N/O-tectonic as 4-connected spacer. • A 2-fold parallel interpenetrated sql layer with the same handedness. • A rare 8-fold interpenetrating dia network (class IIIa)

New manganese (II) structures derived from 2,6-dichlorobenzoic acid: Syntheses, crystal structures and magnetism

International Nuclear Information System (INIS)

Esteves, D.; Tedesco, J.C.D.; Pedro, S.S.; Cruz, C.; Reis, M.S.; Brandão, P.

2014-01-01

One novel coordination polymer [Mn 2 (μ-2,6-DCBA) 3 (μ 2 -CH 3 CO 2 ) 2 (2H 2 O)]·2H 2 O (2,6-DCBA = 2,6-dichlorobenzoato) (compound 1) has been synthesized by self-assembly of bridging ligand 2,6-dichlorobenzoic acid and manganese acetate tetrahydrate. Single crystal X-ray diffraction analysis reveals that this compound crystallizes in space group P2 1 /c with a = 10.1547(7), b = 24.5829(2), c = 12.6606(2) Å, β = 93.707(3), V = 3153.9(3) Å 3 and Z = 4. The Mn(II) ions are connected by 2,6-DCBA and acetate group in μ-bridging mode to form 1D chains. Two water molecules are in the inter-layer space forming strong hydrogen bonds originating 2D layer structure. The preparation of this compound is very sensitive to the synthesis conditions, mainly to the solution pH and solvent yielding other two compounds 2 and 3. In compound 1 Mn(II) atoms in octahedral coordination are arranged in a zig–zag chain, with a trimeric structure repeated periodically along the chain, giving two exchange parameters: J 1 related to a syn–syn bond; and J 2 related to a bond of type anti–anti. A theoretical model was developed and then fitted to the magnetic susceptibility data, revealing an antiferromagnetic arrangement along the chain

The effect of high-frequency ground motion on the MAPLE-X10 reactor

International Nuclear Information System (INIS)

Bhan, S.; Dunbar, S.

1989-06-01

The effect of high-frequency ground motion on structures and equipment in nuclear reactors is examined by subjecting simple linear models to selected recorded ground motions which exhibit low and high frequencies. Computed damage measures indicate that high-frequency short-duration ground motion, such as that observed in eastern North America, have a minimal effect on structures with low natural frequencies. Response spectra of high-frequency ground motion indicate that higher forces are induced in structures with high natural frequencies as compared to those induced by low-frequency ground motion. However, reported observations of earthquake damage in eastern North America suggest that high-frequency ground motion causes little of no damage to structures. This may be due to the energy absorption capability of structures. It is concluded that the response spectrum representative of ground motion observed in eastern North America may give an over-conservative measure of the response of structures with high natural frequencies, since it does not account for the typically observed short duration of high-frequency ground motion and for the energy absorption capability of structures. Detailed nonlinear analysis of specific structures with high natural frequencies should be performed to better predict the actual response. Recommendations for a nonlinear analysis of typical structures with high natural frequencies are made

Synthesis and characterization of polychelates of Cu(II), Ni(II), Co(II), Mn(II), Zn(II), oxovanadium(IV) and dioxouranium(VI) with 2,4-dihydroxybenzaldehyde-urea-formaldehyde polymer

International Nuclear Information System (INIS)

Patel, G.C.; Pancholi, H.B.; Patel, M.M.

1991-01-01

Polychelates of Cu(II), Ni(II), Co(II), Mn(II), Zn(II), oxovandium(IV) and dioxouranium(VI) with 2,4-dihydroxybenzaldehyde (2,4-DB)-urea(U)-formaldehyde(F) polymer (2,4-DBUF) have been prepared. Elemental analyses of the polychelates indicate a metal:ligand ratio of 1:2. The structures of the polychelates have been assigned on the basis of their elemental analyses, IR, reflectance spectra, magnetic moment, thermal data and their electrical conductivity behaviour. (author). 1 tab., 18 refs

Structure of the Hydrated Platinum(II) Ion And the Cis-Diammine-Platinum(II) Complex in Acidic Aqueous Solution: An EXAFS Study

Energy Technology Data Exchange (ETDEWEB)

Jalilehvand, F.; Laffin, L.J.

2009-05-18

Careful analysis of Pt L{sub 3}-edge extended X-ray absorption fine structure (EXAFS) spectra shows that the hydrated platinum(II) ion in acidic (HClO{sub 4}) aqueous solution binds four water molecules with the Pt-O bond distance 2.01(2) {angstrom} and one (or two) in the axial position at 2.39(2) {angstrom}. The weak axial water coordination is in accordance with the unexpectedly small activation volume previously reported for water exchange in an interchange mechanism with associative character. The hydrated cis-diammineplatinum(II) complex has a similar coordination environment with two ammine and two aqua ligands strongly bound with Pt-O/N bond distances of 2.01(2) {angstrom} and, in addition, one (or two) axial water molecule at 2.37(2) {angstrom}. This result provides a new basis for theoretical computational studies aiming to connect the function of the anticancer drug cis-platin to its ligand exchange reactions, where usually four-coordinated square planar platinum(II) species are considered as the reactant and product. {sup 195}Pt NMR spectroscopy has been used to characterize the Pt(II) complexes.

Ground vibration test results for Drones for Aerodynamic and Structural Testing (DAST)/Aeroelastic Research Wing (ARW-1R) aircraft

Science.gov (United States)

Cox, T. H.; Gilyard, G. B.

1986-01-01

The drones for aerodynamic and structural testing (DAST) project was designed to control flutter actively at high subsonic speeds. Accurate knowledge of the structural model was critical for the successful design of the control system. A ground vibration test was conducted on the DAST vehicle to determine the structural model characteristics. This report presents and discusses the vibration and test equipment, the test setup and procedures, and the antisymmetric and symmetric mode shape results. The modal characteristics were subsequently used to update the structural model employed in the control law design process.

Determination of Ni(II) crystal structure by powder x-ray diffraction ...

African Journals Online (AJOL)

X-ray powder diffraction pattern was used to determine the length of the unit cell, “a”, the lattice structure type, and the number of atoms per unit cell of Ni(II) crystal. The “a” value was determined to be 23.66 ± 0.005 Å, particle size of 34.87 nm, volume 13.24 Å and Strain value ε = 9.8 x 10-3. The cell search on PXRD patterns ...

Ground motion modeling of the 1906 San Francisco earthquake II: Ground motion estimates for the 1906 earthquake and scenario events

Energy Technology Data Exchange (ETDEWEB)

Aagaard, B; Brocher, T; Dreger, D; Frankel, A; Graves, R; Harmsen, S; Hartzell, S; Larsen, S; McCandless, K; Nilsson, S; Petersson, N A; Rodgers, A; Sjogreen, B; Tkalcic, H; Zoback, M L

2007-02-09

We estimate the ground motions produced by the 1906 San Francisco earthquake making use of the recently developed Song et al. (2008) source model that combines the available geodetic and seismic observations and recently constructed 3D geologic and seismic velocity models. Our estimates of the ground motions for the 1906 earthquake are consistent across five ground-motion modeling groups employing different wave propagation codes and simulation domains. The simulations successfully reproduce the main features of the Boatwright and Bundock (2005) ShakeMap, but tend to over predict the intensity of shaking by 0.1-0.5 modified Mercalli intensity (MMI) units. Velocity waveforms at sites throughout the San Francisco Bay Area exhibit characteristics consistent with rupture directivity, local geologic conditions (e.g., sedimentary basins), and the large size of the event (e.g., durations of strong shaking lasting tens of seconds). We also compute ground motions for seven hypothetical scenarios rupturing the same extent of the northern San Andreas fault, considering three additional hypocenters and an additional, random distribution of slip. Rupture directivity exerts the strongest influence on the variations in shaking, although sedimentary basins do consistently contribute to the response in some locations, such as Santa Rosa, Livermore, and San Jose. These scenarios suggest that future large earthquakes on the northern San Andreas fault may subject the current San Francisco Bay urban area to stronger shaking than a repeat of the 1906 earthquake. Ruptures propagating southward towards San Francisco appear to expose more of the urban area to a given intensity level than do ruptures propagating northward.

Communication, concepts and grounding.

Science.gov (United States)

van der Velde, Frank

2015-02-01

This article discusses the relation between communication and conceptual grounding. In the brain, neurons, circuits and brain areas are involved in the representation of a concept, grounding it in perception and action. In terms of grounding we can distinguish between communication within the brain and communication between humans or between humans and machines. In the first form of communication, a concept is activated by sensory input. Due to grounding, the information provided by this communication is not just determined by the sensory input but also by the outgoing connection structure of the conceptual representation, which is based on previous experiences and actions. The second form of communication, that between humans or between humans and machines, is influenced by the first form. In particular, a more successful interpersonal communication might require forms of situated cognition and interaction in which the entire representations of grounded concepts are involved. Copyright © 2014 Elsevier Ltd. All rights reserved.

Representation of bidirectional ground motions for design spectra in building codes

Science.gov (United States)

Stewart, Jonathan P.; Abrahamson, Norman A.; Atkinson, Gail M.; Beker, Jack W.; Boore, David M.; Bozorgnia, Yousef; Campbell, Kenneth W.; Comartin, Craig D.; Idriss, I.M.; Lew, Marshall; Mehrain, Michael; Moehle, Jack P.; Naeim, Farzad; Sabol, Thomas A.

2011-01-01

The 2009 NEHRP Provisions modified the definition of horizontal ground motion from the geometric mean of spectral accelerations for two components to the peak response of a single lumped mass oscillator regardless of direction. These maximum-direction (MD) ground motions operate under the assumption that the dynamic properties of the structure (e.g., stiffness, strength) are identical in all directions. This assumption may be true for some in-plan symmetric structures, however, the response of most structures is dominated by modes of vibration along specific axes (e.g., longitudinal and transverse axes in a building), and often the dynamic properties (especially stiffness) along those axes are distinct. In order to achieve structural designs consistent with the collapse risk level given in the NEHRP documents, we argue that design spectra should be compatible with expected levels of ground motion along those principal response axes. The use of MD ground motions effectively assumes that the azimuth of maximum ground motion coincides with the directions of principal structural response. Because this is unlikely, design ground motions have lower probability of occurrence than intended, with significant societal costs. We recommend adjustments to make design ground motions compatible with target risk levels.

Trans-ligand-dependent arrangement (bent or linear) of Pt II-bound dialkylcyanamide ligands: Molecular structure of trans-dichloro(dimethylcyanamide)(dimethyl sulfoxide)platinum(II)

Science.gov (United States)

Anisimova, Tatyana B.; Bokach, Nadezhda A.; Fritsky, Igor O.; Haukka, Matti

2011-11-01

The title compound, trans-[PtCl 2(NCNMe 2)(Me 2SO)], is the first example of the structurally characterized Pt II species having the nitrile and the sulfoxide ligands in the trans-position to each other. The most significant feature of this structure is the non-linear arrangement of the Pt sbnd N1 sbnd C1 fragment providing the rare case of the bent form of the dialkylcyanamide ligand.

The use of quadratic forms in the calculation of ground state electronic structures

International Nuclear Information System (INIS)

Keller, Jaime; Weinberger, Peter

2006-01-01

There are many examples in theoretical physics where a fundamental quantity can be considered a quadratic form ρ=Σ i ρ i =vertical bar Ψ vertical bar 2 and the corresponding linear form Ψ=Σ i ψ i is highly relevant for the physical problem under study. This, in particular, is the case of the density and the wave function in quantum mechanics. In the study of N-identical-fermion systems we have the additional feature that Ψ is a function of the 3N configuration space coordinates and ρ is defined in three-dimensional real space. For many-electron systems in the ground state the wave function and the Hamiltonian are to be expressed in terms of the configuration space (CS), a replica of real space for each electron. Here we present a geometric formulation of the CS, of the wave function, of the density, and of the Hamiltonian to compute the electronic structure of the system. Then, using the new geometric notation and the indistinguishability and equivalence of the electrons, we obtain an alternative computational method for the ground state of the system. We present the method and discuss its usefulness and relation to other approaches

Structure of the ent-Copalyl Diphosphate Synthase PtmT2 from Streptomyces platensis CB00739, a Bacterial Type II Diterpene Synthase.

Science.gov (United States)

Rudolf, Jeffrey D; Dong, Liao-Bin; Cao, Hongnan; Hatzos-Skintges, Catherine; Osipiuk, Jerzy; Endres, Michael; Chang, Chin-Yuan; Ma, Ming; Babnigg, Gyorgy; Joachimiak, Andrzej; Phillips, George N; Shen, Ben

2016-08-31

Terpenoids are the largest and most structurally diverse family of natural products found in nature, yet their presence in bacteria is underappreciated. The carbon skeletons of terpenoids are generated through carbocation-dependent cyclization cascades catalyzed by terpene synthases (TSs). Type I and type II TSs initiate cyclization via diphosphate ionization and protonation, respectively, and protein structures of both types are known. Most plant diterpene synthases (DTSs) possess three α-helical domains (αβγ), which are thought to have arisen from the fusion of discrete, ancestral bacterial type I TSs (α) and type II TSs (βγ). Type II DTSs of bacterial origin, of which there are no structurally characterized members, are a missing piece in the structural evolution of TSs. Here, we report the first crystal structure of a type II DTS from bacteria. PtmT2 from Streptomyces platensis CB00739 was verified as an ent-copalyl diphosphate synthase involved in the biosynthesis of platensimycin and platencin. The crystal structure of PtmT2 was solved at a resolution of 1.80 Å, and docking studies suggest the catalytically active conformation of geranylgeranyl diphosphate (GGPP). Site-directed mutagenesis confirmed residues involved in binding the diphosphate moiety of GGPP and identified DxxxxE as a potential Mg(2+)-binding motif for type II DTSs of bacterial origin. Finally, both the shape and physicochemical properties of the active sites are responsible for determining specific catalytic outcomes of TSs. The structure of PtmT2 fundamentally advances the knowledge of bacterial TSs, their mechanisms, and their role in the evolution of TSs.

A Mixed Prediction Model of Ground Subsidence for Civil Infrastructures on Soft Ground

Directory of Open Access Journals (Sweden)

Kiyoshi Kobayashi

2012-01-01

Full Text Available The estimation of ground subsidence processes is an important subject for the asset management of civil infrastructures on soft ground, such as airport facilities. In the planning and design stage, there exist many uncertainties in geotechnical conditions, and it is impossible to estimate the ground subsidence process by deterministic methods. In this paper, the sets of sample paths designating ground subsidence processes are generated by use of a one-dimensional consolidation model incorporating inhomogeneous ground subsidence. Given the sample paths, the mixed subsidence model is presented to describe the probabilistic structure behind the sample paths. The mixed model can be updated by the Bayesian methods based upon the newly obtained monitoring data. Concretely speaking, in order to estimate the updating models, Markov Chain Monte Calro method, which is the frontier technique in Bayesian statistics, is applied. Through a case study, this paper discussed the applicability of the proposed method and illustrated its possible application and future works.

Prediction of new ground-state crystal structure of T a2O5

Science.gov (United States)

Yang, Yong; Kawazoe, Yoshiyuki

2018-03-01

Tantalum pentoxide (T a2O5 ) is a wide-gap semiconductor which has important technological applications. Despite the enormous efforts from both experimental and theoretical studies, the ground-state crystal structure of T a2O5 is not yet uniquely determined. Based on first-principles calculations in combination with evolutionary algorithm, we identify a triclinic phase of T a2O5 , which is energetically much more stable than any phases or structural models reported previously. Characterization of the static and dynamical properties of the phase reveals the common features shared with previous metastable phases of T a2O5 . In particular, we show that the d spacing of ˜3.8 Å found in the x-ray diffraction patterns of many previous experimental works is actually the radius of the second Ta-Ta coordination shell as defined by radial distribution functions.

GASPAR II: Technical reference and user guide

International Nuclear Information System (INIS)

Strenge, D.L.; Bander, T.J.; Soldat, J.K.

1987-03-01

This report describes the computer program GASPAR II used by the staff of the US Nuclear Regulatory Commission to perform environmental dose analyses for releases of radioactive effluents from nuclear power plants into the atmosphere. The analyses estimate radiation dose to individuals and population groups from inhalation, ingestion (terrestrial foods), and external-exposure (ground and plume) pathways. The calculated doses provide information for National Environmental Policy Act (NEPA) evaluations and for determining compliance with Appendix I of 10 CFR 50 (the ''ALARA'' philosophy). The report also instructs the user in preparing input to the program, describes the mathematical models that are used, and supplies detailed information on program structure and parameters used to modify the program. 20 refs., 11 figs., 77 tabs

[Environmental investigation of ground water contamination at Wright-Patterson Air Force Base, Ohio

International Nuclear Information System (INIS)

1992-04-01

This Removal Action System Design has been prepared as a Phase I Volume for the implementation of the Phase II removal action at Wright-Patterson Air Force Base (WPAFB) near Dayton, Ohio. The objective of the removal action is to prevent, to the extent practicable, the migration of ground water contaminated with chlorinated volatile organic compounds (VOCS) across the southwest boundary of Area C. The Phase 1, Volume 9 Removal Action System Design compiles the design documents prepared for the Phase II Removal Action. These documents, which are presented in Appendices to Volume 9, include: Process Design, which presents the 30 percent design for the ground water treatment system (GWTS); Design Packages 1 and 2 for Earthwork and Road Construction, and the Discharge Pipeline, respectively; no drawings are included in the appendix; Design Package 3 for installation of the Ground Water Extraction Well(s); Design Package 4 for installation of the Monitoring Well Instrumentation; and Design Package 5 for installation of the Ground Water Treatment System; this Design Package is incorporated by reference because of its size

Isolation and structure elucidation of neuropeptides of the AKH/RPCH family in long-horned grasshoppers (Ensifera).

Science.gov (United States)

Gäde, G

1992-11-01

An identical neuropeptide was isolated by reversed-phase high-performance liquid chromatography from the corpora cardiaca of the king cricket, Libanasidus vittatus, and the two armoured ground crickets, Heterodes namaqua and Acanthoproctus cervinus. The crude gland extracts had adipokinetic activity in migratory locusts, hypertrehalosaemic activity in American cockroaches and a slight hypertrehalosaemic, but no adipokinetic, effect in armoured ground crickets. The primary structure of this neuropeptide was determined by pulsed-liquid phase sequencing employing Edman chemistry after enzymically deblocking the N-terminal 5-oxopyrrolidine-2-carboxylic acid residue. The C-terminus was also blocked, as indicated by the lack of digestion by carboxypeptidase A. The peptide was assigned the structure [symbol: see text]Glu-Leu-Asn-Phe-Ser-Thr-Gly-TrpNH2, previously designated Scg-AKH-II. The corpora cardiaca of the cricket Gryllodes sigillatus contained a neuropeptide which differed in retention time from the one isolated from the king and armoured ground crickets. The structure was assigned as [symbol: see text]Glu-Val-Asn-Phe-Ser-Thr-Gly-TrpNH2, previously designated Grb-AKH. This octapeptide caused hyperlipaemia in its donor species. The presence of the same peptide, Scg-AKH-II, in the two primitive infraorders of Ensifera, and the different peptide, Grb-AKH, in the most advanced infraorder of Ensifera, supports the evolutionary trends assigned formerly from morphological and physiological evidence.

Crystal structure of dichloridobis(dimethyl N-cyanodithioiminocarbonatecobalt(II

Directory of Open Access Journals (Sweden)

Mouhamadou Birame Diop

2016-01-01

Full Text Available The structure of the mononuclear title complex, [{(H3CS2C=NC[triple-bond] N}2CoCl2], consists of a CoII atom coordinated in a distorted tetrahedral manner by two Cl− ligands and the terminal N atoms of two dimethyl N-cyanodithioiminocarbonate ligands. The two organic ligands are almost coplanar, with a dihedral angle of 5.99 (6° between their least-squares planes. The crystal packing features pairs of inversion-related complexes that are held together through C—H...Cl and C—H...S interactions and π–π stacking [centroid-to-centroid distance = 3.515 (su? Å]. Additional C—H...Cl and C—H...S interactions, as well as Cl...S contacts < 3.6 Å, consolidate the crystal packing.

Ground failure in the 2001 Mw 8.4 southern Peru earthquake

Science.gov (United States)

Rondinel-Oviedo, Efrain Alejandro

On June 23rd 2001 a moment magnitude (M W) 8.4, earthquake shook the southern portion of Peru. This rare large-magnitude event provided a unique opportunity to develop a suite of high quality case histories and also to test and calibrate existing geotechnical earthquake engineering analysis procedures and models against observations from the earthquake. The work presented in this thesis is focused on three topics pertaining to ground failure (i.e., the permanent deformation of the ground resulting from an earthquake) observed during the event: (1) surface ground damage in small basin geometries, (2) seismic compression, and (3) performance of a concrete faced rockfill dam (CFRD) dam. Surface ground strain damage patterns in small basin geometries has previously been typically studied at the large (i.e., geological) scale, but not at the scale of civil engineering infrastructure. During seismic events basin geometries containing soft material confined by stiffer material trap the seismic waves and generate surface waves that travel on the ground along the soft material. Numerical modeling shows that surface waves are generated at basin edges and travel on the ground creating higher duration, higher response (peak ground acceleration, PGA), higher energy (Arias Intensity) and higher angular distortion, especially in zones close to the edges. The impedance contrast between the stiff material and the soft material, and the dip angle play an important role in basin response. Seismic compression (i.e., the shaking induced densification of unsaturated soil) was observed in many highway embankments in the region of the earthquake. In many instances, this phenomenon was exasperated by soil-structure interaction with adjacent bridge or culvert structures. Numerical modeling conducted as part of this research showed (i) a significantly different response when the structure (culvert) is considered, (ii) impedance contrast plays a role in the system responses, and (iii) low

Structure and Function of p97 and Pex1/6 Type II AAA+ Complexes.

Science.gov (United States)

Saffert, Paul; Enenkel, Cordula; Wendler, Petra

2017-01-01

Protein complexes of the Type II AAA+ (ATPases associated with diverse cellular activities) family are typically hexamers of 80-150 kDa protomers that harbor two AAA+ ATPase domains. They form double ring assemblies flanked by associated domains, which can be N-terminal, intercalated or C-terminal to the ATPase domains. Most prominent members of this family include NSF (N-ethyl-maleimide sensitive factor), p97/VCP (valosin-containing protein), the Pex1/Pex6 complex and Hsp104 in eukaryotes and ClpB in bacteria. Tremendous efforts have been undertaken to understand the conformational dynamics of protein remodeling type II AAA+ complexes. A uniform mode of action has not been derived from these works. This review focuses on p97/VCP and the Pex1/6 complex, which both structurally remodel ubiquitinated substrate proteins. P97/VCP plays a role in many processes, including ER- associated protein degradation, and the Pex1/Pex6 complex dislocates and recycles the transport receptor Pex5 from the peroxisomal membrane during peroxisomal protein import. We give an introduction into existing knowledge about the biochemical and cellular activities of the complexes before discussing structural information. We particularly emphasize recent electron microscopy structures of the two AAA+ complexes and summarize their structural differences.

Equilibrium vortex structures of type-II/1 superconducting films with washboard pinning landscapes

Science.gov (United States)

Wei, C. A.; Xu, X. B.; Xu, X. N.; Wang, Z. H.; Gu, M.

2018-05-01

We numerically study the equilibrium vortex structures of type-II/1 superconducting films with a periodic quasi-one-dimensional corrugated substrate. We show as a function of substrate period and pinning strength that, the vortex system displays a variety of vortex phases including arrays consisted of vortex clumps with different morphologies, ordered vortex stripes parallel and perpendicular to pinning troughs, and ordered one-dimensional vortex chains. Our simulations are helpful in understanding the structural modulations for extensive systems with both competing interactions and competing periodicities.

Structural Distortion Stabilizing the Antiferromagnetic and Semiconducting Ground State of BaMn2As2

Directory of Open Access Journals (Sweden)

Ekkehard Krüger

2016-09-01

Full Text Available We report evidence that the experimentally found antiferromagnetic structure as well as the semiconducting ground state of BaMn 2 As 2 are caused by optimally-localized Wannier states of special symmetry existing at the Fermi level of BaMn 2 As 2 . In addition, we find that a (small tetragonal distortion of the crystal is required to stabilize the antiferromagnetic semiconducting state. To our knowledge, this distortion has not yet been established experimentally.

Synthesis of High-Frequency Ground Motion Using Information Extracted from Low-Frequency Ground Motion

Science.gov (United States)

Iwaki, A.; Fujiwara, H.

2012-12-01

Broadband ground motion computations of scenario earthquakes are often based on hybrid methods that are the combinations of deterministic approach in lower frequency band and stochastic approach in higher frequency band. Typical computation methods for low-frequency and high-frequency (LF and HF, respectively) ground motions are the numerical simulations, such as finite-difference and finite-element methods based on three-dimensional velocity structure model, and the stochastic Green's function method, respectively. In such hybrid methods, LF and HF wave fields are generated through two different methods that are completely independent of each other, and are combined at the matching frequency. However, LF and HF wave fields are essentially not independent as long as they are from the same event. In this study, we focus on the relation among acceleration envelopes at different frequency bands, and attempt to synthesize HF ground motion using the information extracted from LF ground motion, aiming to propose a new method for broad-band strong motion prediction. Our study area is Kanto area, Japan. We use the K-NET and KiK-net surface acceleration data and compute RMS envelope at four frequency bands: 0.5-1.0 Hz, 1.0-2.0 Hz, 2.0-4.0 Hz, .0-8.0 Hz, and 8.0-16.0 Hz. Taking the ratio of the envelopes of adjacent bands, we find that the envelope ratios have stable shapes at each site. The empirical envelope-ratio characteristics are combined with low-frequency envelope of the target earthquake to synthesize HF ground motion. We have applied the method to M5-class earthquakes and a M7 target earthquake that occurred in the vicinity of Kanto area, and successfully reproduced the observed HF ground motion of the target earthquake. The method can be applied to a broad band ground motion simulation for a scenario earthquake by combining numerically-computed low-frequency (~1 Hz) ground motion with the empirical envelope ratio characteristics to generate broadband ground motion

Virtual sensors for active noise control in acoustic-structural coupled enclosures using structural sensing: part II--Optimization of structural sensor placement.

Science.gov (United States)

Halim, Dunant; Cheng, Li; Su, Zhongqing

2011-04-01

The work proposed an optimization approach for structural sensor placement to improve the performance of vibro-acoustic virtual sensor for active noise control applications. The vibro-acoustic virtual sensor was designed to estimate the interior sound pressure of an acoustic-structural coupled enclosure using structural sensors. A spectral-spatial performance metric was proposed, which was used to quantify the averaged structural sensor output energy of a vibro-acoustic system excited by a spatially varying point source. It was shown that (i) the overall virtual sensing error energy was contributed additively by the modal virtual sensing error and the measurement noise energy; (ii) each of the modal virtual sensing error system was contributed by both the modal observability levels for the structural sensing and the target acoustic virtual sensing; and further (iii) the strength of each modal observability level was influenced by the modal coupling and resonance frequencies of the associated uncoupled structural/cavity modes. An optimal design of structural sensor placement was proposed to achieve sufficiently high modal observability levels for certain important panel- and cavity-controlled modes. Numerical analysis on a panel-cavity system demonstrated the importance of structural sensor placement on virtual sensing and active noise control performance, particularly for cavity-controlled modes.

Correlation of reactivity with structural factors in a series of Fe(II) substituted cobalt ferrites

International Nuclear Information System (INIS)

Sileo, Elsa E.; Garcia Rodenas, Luis; Paiva-Santos, Carlos O.; Stephens, Peter W.; Morando, Pedro J.; Blesa, Miguel A.

2006-01-01

A series of powdered cobalt ferrites, Co x Fe 3- x O 4 with 0.66≤x II , were synthesized by a mild procedure, and their Fe and Co site occupancies and structural characteristics were explored using X-ray anomalous scattering and the Rietveld refinement method. The dissolution kinetics, measured in 0.1 M oxalic acid aqueous solution at 70 deg. C, indicate in all cases the operation of a contracting volume rate law. The specific rates increased with the Fe II content following approximately a second-order polynomial expression. This result suggests that the transfer of Fe III controls the dissolution rate, and that the leaching of a first layer of ions Co II and Fe II leaves exposed a surface enriched in slower dissolving octahedral Fe III ions. Within this model, inner vicinal lattice Fe II accelerates the rate of Fe III transfer via internal electron hopping. A chain mechanism, involving successive electron transfers, fits the data very well. - Graphical abstract: The electron exchange between octahedral Fe II and Fe III ions has important consequences on the specific dissolution rates. Display Omitted

Structure of the Ni(II) complex of Escherichia coli peptide deformylase and suggestions on deformylase activities depending on different metal(II) centres.

Science.gov (United States)

Yen, Ngo Thi Hai; Bogdanović, Xenia; Palm, Gottfried J; Kühl, Olaf; Hinrichs, Winfried

2010-02-01

Crystal structures of polypeptide deformylase (PDF) of Escherichia coli with nickel(II) replacing the native iron(II) have been solved with chloride and formate as metal ligands. The chloro complex is a model for the correct protonation state of the hydrolytic hydroxo ligand and the protonated status of the Glu133 side chain as part of the hydrolytic mechanism. The ambiguity that recently some PDFs have been identified with Zn(2+) ion as the active-site centre whereas others are only active with Fe(2+) (or Co(2+), Ni(2+) is discussed with respect to Lewis acid criteria of the metal ion and substrate activation by the CD loop.

Modal-pushover-based ground-motion scaling procedure

Science.gov (United States)

Kalkan, Erol; Chopra, Anil K.

2011-01-01

Earthquake engineering is increasingly using nonlinear response history analysis (RHA) to demonstrate the performance of structures. This rigorous method of analysis requires selection and scaling of ground motions appropriate to design hazard levels. This paper presents a modal-pushover-based scaling (MPS) procedure to scale ground motions for use in a nonlinear RHA of buildings. In the MPS method, the ground motions are scaled to match to a specified tolerance, a target value of the inelastic deformation of the first-mode inelastic single-degree-of-freedom (SDF) system whose properties are determined by the first-mode pushover analysis. Appropriate for first-mode dominated structures, this approach is extended for structures with significant contributions of higher modes by considering elastic deformation of second-mode SDF systems in selecting a subset of the scaled ground motions. Based on results presented for three actual buildings-4, 6, and 13-story-the accuracy and efficiency of the MPS procedure are established and its superiority over the ASCE/SEI 7-05 scaling procedure is demonstrated.

Structural myocardial changes in chronic heart failure of II functional class based on overweight and abdominal obesity

Directory of Open Access Journals (Sweden)

V. Z. Netyazhenko

2014-04-01

Full Text Available Abstract. 153 patients with CHF of II functional class, with normal weight, overweight and abdominal obesity I-III degrees Examined. Studied structural myocardial changes at CHF depending on the degree of excess weight. Structural changes of the heart, the extent and type of myocardial hypertrophy of left ventricle depending on the availability of overweight and obesity were revealed. Actuality. Chronic heart failure (CHF is characterized by a high mortality rate and frequency of hospitalization of patients, a significant decline in their quality of life and significant financial burden. CHF is a medical and social problem that a certain dominant in the near future all over the world, because the average life expectancy of patients with the diagnosis ranges from 1,7 to 7 years and the long-term observation is evidence of the increased risk of death, that 5 year more than four times the initial value. The main etiological factors of occurrence, progression and adverse exit of CHF are age, coronary heart disease (CHD, arterial hypertension, valvular heart disease, diabetes and obesity. In general, structural changes of heart in obesity can be divided into the following main components: left ventricle hypertrophy, changes in the structural composition of cardiac tissue, heart obesity, change of the sizes of the right ventricle and left atrium (PL, valvular heart disease. Research objective: to establish the structural changes of CHF of II functional class depending on the availability of overweight and abdominal type of obesity various degrees. Material and methods: 153 patients with CHF of II functional class were examined. Etiological factors of development CHF were hypertensive disease, chronic forms of CAD and the combination of these pathologies. The diagnosis of CHF installed according to WHO criteria, the European society of cardiology and the Association of cardiologists of Ukraine, and classified according to functional classification of

Synthesis and Ligand Non-Innocence of Thiolate-Ligated (N4S) Iron(II) and Nickel(II) Bis(imino)pyridine Complexes

Science.gov (United States)

Widger, Leland R.; Jiang, Yunbo; Siegler, Maxime; Kumar, Devesh; Latifi, Reza; de Visser, Sam P.; Jameson, Guy N.L.; Goldberg, David P.

2013-01-01

The known iron(II) complex [FeII(LN3S)(OTf)] (1) was used as starting material to prepare the new biomimetic (N4S(thiolate)) iron(II) complexes [FeII(LN3S)(py)](OTf) (2) and [FeII(LN3S)(DMAP)](OTf) (3), where LN3S is a tetradentate bis(imino)pyridine (BIP) derivative with a covalently tethered phenylthiolate donor. These complexes were characterized by X-ray crystallography, UV-vis, 1H NMR, and Mössbauer spectroscopy, as well as electrochemistry. A nickel(II) analogue, [NiII(LN3S)](BF4) (5), was also synthesized and characterized by structural and spectroscopic methods. Cyclic voltammetric studies showed 1 – 3 and 5 undergo a single reduction process with E1/2 between −0.9 to −1.2 V versus Fc+/Fc. Treatment of 3 with 0.5% Na/Hg amalgam gave the mono-reduced complex [Fe(LN3S)(DMAP)]0 (4), which was characterized by X-ray crystallography, UV-vis, EPR (g = [2.155, 2.057, 2.038]) and Mössbauer (δ = 0.33 mm s−1; ΔEQ = 2.04 mm s−1) spectroscopies. Computational methods (DFT) were employed to model complexes 3 – 5. The combined experimental and computational studies show that 1 – 3 are 5-coordinate, high-spin (S = 2) FeII complexes, whereas 4 is best described as a 5-coordinate, intermediate-spin (S = 1) FeII complex antiferromagnetically coupled to a ligand radical. This unique electronic configuration leads to an overall doublet spin (Stotal = ½) ground state. Complexes 2 and 3 are shown to react with O2 to give S-oxygenated products, as previously reported for 1. In contrast, the mono-reduced 4 appears to react with O2 to give a mixture of S- and Fe-oxygenates. The nickel(II) complex 5 does not react with O2, and even when the mono-reduced nickel complex is produced, it appears to undergo only outer-sphere oxidation with O2. PMID:23992096

The crystal structure of paramagnetic copper(ii) oxalate (CuC2O4):

DEFF Research Database (Denmark)

Christensen, Axel Nørlund; Lebech, Bente; Andersen, Niels Hessel

2014-01-01

Synthetic copper(ii) oxalate, CuC2O4, was obtained in a precipitation reaction between a copper(ii) solution and an aqueous solution of oxalic acid. The product was identified from its conventional X-ray powder patterns which match that of the copper mineral Moolooite reported to have...... the composition CuC2O4·0.44H2O. Time resolved in situ investigations of the thermal decomposition of copper(ii) oxalate using synchrotron X-ray powder diffraction showed that in air the compound converts to Cu2O at 215 °C and oxidizes to CuO at 345 °C. Thermo gravimetric analysis performed in an inert Ar....... The crystal structure consists of a random stacking of CuC2O4 micro-crystallites where half the Cu-atoms are placed at (2a) and the other half at (2b) positions with the corresponding oxalate molecules centred around the corresponding (2b) and (2a) site positions, respectively. The diffraction patterns...

(II) COMPLEX COMPOUND

African Journals Online (AJOL)

user

electrochemical sensors, as well as in various chromatographic ... were carried out using Jenway pH meter Model 3320 and a conductivity ... Figure 1: the proposed molecular structure of the copper (II) Schiff base complex. M = Cu (II) or Mn (II).

Evolved H II regions

International Nuclear Information System (INIS)

Churchwell, E.

1975-01-01

A probable evolutionary sequence of H II regions based on six distinct types of observed objects is suggested. Two examples which may deviate from this idealized sequence, are discussed. Even though a size-mean density relation of H II regions can be used as a rough indication of whether a nebula is very young or evolved, it is argued that such a relation is not likely to be useful for the quantitative assignment of ages to H II regions. Evolved H II regions appear to fit into one of four structural types: rings, core-halos, smooth structures, and irregular or filamentary structures. Examples of each type are given with their derived physical parameters. The energy balance in these nebulae is considered. The mass of ionized gas in evolved H II regions is in general too large to trace the nebula back to single compact H II regions. Finally, the morphological type of the Galaxy is considered from its H II region content. 2 tables, 2 figs., 29 refs

Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

Science.gov (United States)

Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D.

2016-08-01

This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

Directory of Open Access Journals (Sweden)

Thomas M. Vlasic

2016-08-01

Full Text Available This work uses density functional theory (DFT to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane, at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

Energy Technology Data Exchange (ETDEWEB)

Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D., E-mail: alejandro.rey@mcgill.ca [Department of Chemical Engineering, McGill University, Montreal H3A 0C5 (Canada)

2016-08-15

This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles

Directory of Open Access Journals (Sweden)

Mayank Aggarwal

2014-03-01

Full Text Available Human carbonic anhydrases (CAs are zinc metalloenzymes that catalyze the hydration and dehydration of CO2 and HCO3−, respectively. The reaction follows a ping-pong mechanism, in which the rate-limiting step is the transfer of a proton from the zinc-bound solvent (OH−/H2O in/out of the active site via His64, which is widely believed to be the proton-shuttling residue. The decreased catalytic activity (∼20-fold lower with respect to the wild type of a variant of CA II in which His64 is replaced with Ala (H64A CA II can be enhanced by exogenous proton donors/acceptors, usually derivatives of imidazoles and pyridines, to almost the wild-type level. X-ray crystal structures of H64A CA II in complex with four imidazole derivatives (imidazole, 1-methylimidazole, 2-methylimidazole and 4-methylimidazole have been determined and reveal multiple binding sites. Two of these imidazole binding sites have been identified that mimic the positions of the `in' and `out' rotamers of His64 in wild-type CA II, while another directly inhibits catalysis by displacing the zinc-bound solvent. The data presented here not only corroborate the importance of the imidazole side chain of His64 in proton transfer during CA catalysis, but also provide a complete structural understanding of the mechanism by which imidazoles enhance (and inhibit when used at higher concentrations the activity of H64A CA II.

Calcium-manganese oxides as structural and functional models for active site in oxygen evolving complex in photosystem II: lessons from simple models.

Science.gov (United States)

Najafpour, Mohammad Mahdi

2011-01-01

The oxygen evolving complex in photosystem II which induces the oxidation of water to dioxygen in plants, algae and certain bacteria contains a cluster of one calcium and four manganese ions. It serves as a model to split water by sunlight. Reports on the mechanism and structure of photosystem II provide a more detailed architecture of the oxygen evolving complex and the surrounding amino acids. One challenge in this field is the development of artificial model compounds to study oxygen evolution reaction outside the complicated environment of the enzyme. Calcium-manganese oxides as structural and functional models for the active site of photosystem II are explained and reviewed in this paper. Because of related structures of these calcium-manganese oxides and the catalytic centers of active site of the oxygen evolving complex of photosystem II, the study may help to understand more about mechanism of oxygen evolution by the oxygen evolving complex of photosystem II. Copyright © 2010 Elsevier B.V. All rights reserved.

Adding Theoretical Grounding to Grounded Theory: Toward Multi-Grounded Theory

OpenAIRE

Göran Goldkuhl; Stefan Cronholm

2010-01-01

The purpose of this paper is to challenge some of the cornerstones of the grounded theory approach and propose an extended and alternative approach for data analysis and theory development, which the authors call multi-grounded theory (MGT). A multi-grounded theory is not only empirically grounded; it is also grounded in other ways. Three different grounding processes are acknowledged: theoretical, empirical, and internal grounding. The authors go beyond the pure inductivist approach in GT an...

Structural elucidation of the polysaccharide moiety of a glycopeptide (GLPCW-II) from Ganoderma lucidum fruiting bodies.

Science.gov (United States)

Ye, LiBin; Zhang, JingSong; Ye, XiJun; Tang, QingJiu; Liu, YanFang; Gong, ChunYu; Du, XiuJui; Pan, YingJie

2008-03-17

A water-soluble glycopeptide (GLPCW-II) was isolated from the fruiting bodies of Ganoderma lucidum by DEAE-Sepharose Fast-Flow and Sephacryl S-300 High Resolution Chromatography. The glycopeptide had a molecular weight of 1.2x10(4)Da (determined by HPLC), and consisted of approximately 90% carbohydrate and approximately 8% protein as determined using the phenol-sulfuric acid method and the BCA protein assay reagent kit, respectively. The polysaccharide moiety was composed mainly of D-Glc, L-Fuc, and D-Gal in the ratio of 1.00:1.09:4.09. To facilitate structure-activity studies, the structure of the GLPCW-II polysaccharide moiety was elucidated using 1H and 13C NMR spectroscopy including COSY, TOCSY, HMBC, HSQC, and ROESY, combined with GC-MS of methylated derivatives, and shown to consist of repeating units with the following structure: [Formula: see text].

Lightning and surge protection of large ground facilities

Science.gov (United States)

Stringfellow, Michael F.

1988-04-01

The vulnerability of large ground facilities to direct lightning strikes and to lightning-induced overvoltages on the power distribution, telephone and data communication lines are discussed. Advanced electrogeometric modeling is used for the calculation of direct strikes to overhead power lines, buildings, vehicles and objects within the facility. Possible modes of damage, injury and loss are discussed. Some appropriate protection methods for overhead power lines, structures, vehicles and aircraft are suggested. Methods to mitigate the effects of transients on overhead and underground power systems as well as within buildings and other structures are recommended. The specification and location of low-voltage surge suppressors for the protection of vulnerable hardware such as computers, telecommunication equipment and radar installations are considered. The advantages and disadvantages of commonly used grounding techniques, such as single point, multiple and isolated grounds are compared. An example is given of the expected distribution of lightning flashes to a large airport, its buildings, structures and facilities, as well as to vehicles on the ground.

II-VI semiconductor compounds

CERN Document Server

1993-01-01

For condensed matter physicists and electronic engineers, this volume deals with aspects of II-VI semiconductor compounds. Areas covered include devices and applications of II-VI compounds; Co-based II-IV semi-magnetic semiconductors; and electronic structure of strained II-VI superlattices.

Structures of the Mycobacterium tuberculosis GlpX protein (class II fructose-1,6-bisphosphatase): implications for the active oligomeric state, catalytic mechanism and citrate inhibition.

Science.gov (United States)

Wolf, Nina M; Gutka, Hiten J; Movahedzadeh, Farahnaz; Abad-Zapatero, Celerino

2018-04-01

The crystal structures of native class II fructose-1,6-bisphosphatase (FBPaseII) from Mycobacterium tuberculosis at 2.6 Å resolution and two active-site protein variants are presented. The variants were complexed with the reaction product fructose 6-phosphate (F6P). The Thr84Ala mutant is inactive, while the Thr84Ser mutant has a lower catalytic activity. The structures reveal the presence of a 222 tetramer, similar to those described for fructose-1,6/sedoheptulose-1,7-bisphosphatase from Synechocystis (strain 6803) as well as the equivalent enzyme from Thermosynechococcus elongatus. This homotetramer corresponds to a homologous oligomer that is present but not described in the crystal structure of FBPaseII from Escherichia coli and is probably conserved in all FBPaseIIs. The constellation of amino-acid residues in the active site of FBPaseII from M. tuberculosis (MtFBPaseII) is conserved and is analogous to that described previously for the E. coli enzyme. Moreover, the structure of the active site of the partially active (Thr84Ser) variant and the analysis of the kinetics are consistent with the previously proposed catalytic mechanism. The presence of metabolites in the crystallization medium (for example citrate and malonate) and in the corresponding crystal structures of MtFBPaseII, combined with their observed inhibitory effect, could suggest the existence of an uncharacterized inhibition of this class of enzymes besides the allosteric inhibition by adenosine monophosphate observed for the Synechocystis enzyme. The structural and functional insights derived from the structure of MtFBPaseII will provide critical information for the design of lead inhibitors, which will be used to validate this target for future chemical intervention.

Structural, spectral, DFT and biological studies on macrocyclic mononuclear ruthenium (II) complexes

Science.gov (United States)

Muthukkumar, M.; Kamal, C.; Venkatesh, G.; Kaya, C.; Kaya, S.; Enoch, Israel V. M. V.; Vennila, P.; Rajavel, R.

2017-11-01

Macrocyclic mononuclear ruthenium (II) complexes have been synthesized by condensation method [Ru (L1, L2, L3) Cl2] L1 = (C36 H31 N9), L2= (C42H36N8), L3= (C32H32 N8)]. These ruthenium complexes have been established by elemental analyses and spectroscopic techniques (Fourier transform infrared spectroscopy (FT-IR), 1H- nuclear magnetic resonance (NMR), 13C- NMR and Electrospray ionization mass spectrometry (ESI-MS)). The coordination mode of the ligand has been confirmed and the octahedral geometry around the ruthenium ion has been revealed. Binding affinity and binding mode of ruthenium (II) complexes with Bovine serum Albumin (BSA) have been characterized by Emission spectra analysis. UV-Visible and fluorescence spectroscopic techniques have also been utilized to examine the interaction between ligand and its complexes L1, L2, & L3 with BSA. Chemical parameters and molecular structure of Ru (II) complexes L1H, L2H, & L3H have been determined by DFT coupled with B3LYP/6-311G** functional in both the gaseous and aqueous phases.

Structural relationships among the multiple forms of DNA-dependent RNA polymerase II from cultured parsley cells

International Nuclear Information System (INIS)

Link, G.; Bogorad, L.; Kidd, G.H.; Richter, G.

1978-01-01

DNA-dependent RNA polymerase II (or B) was purified from cultured parsley cells, and its molecular structure was examined in detail. Upon centrifugation through glycerol gradients, RNA polymerase II sediments as a single band with an apparent sedimentation constant of 15S. No contamination with RNA polymerases I or III could be detected when the activity of purified RNA polymerase II was assayed in the presence of high concentrations of α-amanitin. Analysis of purified RNA polymerase II be nondenaturing and denaturing polyacrylamide gel electrophoresis revealed that this enzyme exists in multiple forms. They were designated II(O), II(A), and II(B). It is suggested that each form has a subunit of Mr = 140000 as well as smaller polypeptides in common. They differ, however, in the molecular weights of their largest subunits which is 220000 in form II(O), 200000 in form II(A), and 180000 in form II(B). These large subunits were labelled with 125 I, digested with trypsin, and tryptic digests were compared by two-dimensional analysis on thin-layer plates (Elder et al. (1977) J. Biol. Chem. 252, 6510-6515). Fingerprints of tryptic digests from the polypeptides with Mr = 220000, Mr = 200000, and Mr = 180000 were similar. It is, therefore, suggested that these subunits are stucturally related. A tryptic digest was also produced from the subunit with Mr = 140000. Its fingerprint was found to yield a considerably different distribution of peptides as compared to those from the three large subunits. (orig.) [de

Ground-motion modeling of the 1906 San Francisco Earthquake, part II: Ground-motion estimates for the 1906 earthquake and scenario events

Science.gov (United States)

Aagaard, Brad T.; Brocher, T.M.; Dolenc, D.; Dreger, D.; Graves, R.W.; Harmsen, S.; Hartzell, S.; Larsen, S.; McCandless, K.; Nilsson, S.; Petersson, N.A.; Rodgers, A.; Sjogreen, B.; Zoback, M.L.

2008-01-01

We estimate the ground motions produce by the 1906 San Francisco earthquake making use of the recently developed Song et al. (2008) source model that combines the available geodetic and seismic observations and recently constructed 3D geologic and seismic velocity models. Our estimates of the ground motions for the 1906 earthquake are consistent across five ground-motion modeling groups employing different wave propagation codes and simulation domains. The simulations successfully reproduce the main features of the Boatwright and Bundock (2005) ShakeMap, but tend to over predict the intensity of shaking by 0.1-0.5 modified Mercalli intensity (MMI) units. Velocity waveforms at sites throughout the San Francisco Bay Area exhibit characteristics consistent with rupture directivity, local geologic conditions (e.g., sedimentary basins), and the large size of the event (e.g., durations of strong shaking lasting tens of seconds). We also compute ground motions for seven hypothetical scenarios rupturing the same extent of the northern San Andreas fault, considering three additional hypocenters and an additional, random distribution of slip. Rupture directivity exerts the strongest influence on the variations in shaking, although sedimentary basins do consistently contribute to the response in some locations, such as Santa Rosa, Livermore, and San Jose. These scenarios suggest that future large earthquakes on the northern San Andreas fault may subject the current San Francisco Bay urban area to stronger shaking than a repeat of the 1906 earthquake. Ruptures propagating southward towards San Francisco appear to expose more of the urban area to a given intensity level than do ruptures propagating northward.

Structural information on the coordination compounds formed by manganese(II), cobalt(II), nickel(II), zinc(II), cadmium(II) and mercury(II) thiocyanates with 4-cyanopyridine N-oxide from their magnetic moments, electronic and infrared spectra

Science.gov (United States)

Ahuja, I. S.; Yadava, C. L.; Singh, Raghuvir

1982-05-01

Coordination compounds formed by the interaction of 4-cyanopyridine. N-oxide (4-CPO), a potentially bidentate ligand, with manganese(II), cobalt(II), nickel(II), zinc(II), cadmium(II) and rnercury(II) thiocyanates have been prepared and characterized from their elemental analyses, magnetic susceptibilities, electronic and infrared spectral studies down to 200 cm -1 in the solid state. The compounds isolated are: Mn(4-CPO) 2(NCS) 2, Co(4-CPO) 2(NCS) 2,Ni(4-CPO) 2(NCS) 2,Zn(4-CPO) 2(NCS) 2, Cd(4-CPO)(NCS) 2 and Hg(4-CPO) 2(SCN) 2. It is shown that 4-CPO acts as a terminal N-oxide oxygen bonded monodentate ligand in all the metal(II) thiocyanate complexes studied. Tentative stereochemistries of the complexes in the solid state are discussed. The ligand field parameters 10 Dq, B, β and λ calculated for the manganese(II), cobalt(II) and nickel(II) complexes are consistent with their proposed stereochemistries.

Two-dimensional layer architecture assembled by Keggin polyoxotungstate, Cu(II)-EDTA complex and sodium linker: Synthesis, crystal structures, and magnetic properties

International Nuclear Information System (INIS)

Liu Hong; Xu Lin; Gao Guanggang; Li Fengyan; Yang Yanyan; Li Zhikui; Sun Yu

2007-01-01

Reaction of Keggin polyoxotungstate with copper(II)-EDTA (EDTA=ethylenediamine tetraacetate) complex under mild conditions led to the formation of hybrid inorganic-organic compounds Na 4 (OH)[(Cu 2 EDTA)PW 12 O 40 ].17H 2 O (1) and Na 4 [(Cu 2 EDTA)SiW 12 O 40 ].19H 2 O (2). The single-crystal X-ray diffraction analyses reveal their two structural features: (1) one-dimensional chain structure consisting of Keggin polyoxotungstate and copper(II)-EDTA complex; (2) Two-dimensional layer architecture assembled by the one-dimensional chain structure and sodium linker. The results of magnetic measurements in the temperature range 300-2 K indicated the existence of ferromagnetic exchange interactions between the Cu II ions for both compounds. In addition, TGA analysis, IR spectra, and electrochemical properties were also investigated to well characterize these two compounds. - Graphical abstract: Two new polyoxometalate-based hybrids, Na 4 (OH)[Cu 2 (EDTA)PW 12 O 40 ].17H 2 O (1) and Na 4 [Cu 2 (EDTA)SiW 12 O 40 ].19H 2 O (2), have been synthesized and structurally characterized, which consist of one-dimensional chain structure assembled by Keggin polyoxotungstate and copper(II)-EDTA complex. The chains are further connected to form two-dimensional layer architecture assembled by the one-dimensional chain structure and sodium linker

Structural characterization of copper(II) binding to α-synuclein: Insights into the bioinorganic chemistry of Parkinson's disease

Science.gov (United States)

Rasia, Rodolfo M.; Bertoncini, Carlos W.; Marsh, Derek; Hoyer, Wolfgang; Cherny, Dmitry; Zweckstetter, Markus; Griesinger, Christian; Jovin, Thomas M.; Fernández, Claudio O.

2005-01-01

The aggregation of α-synuclein (AS) is characteristic of Parkinson's disease and other neurodegenerative synucleinopathies. We demonstrate here that Cu(II) ions are effective in accelerating AS aggregation at physiologically relevant concentrations without altering the resultant fibrillar structures. By using numerous spectroscopic techniques (absorption, CD, EPR, and NMR), we have located the primary binding for Cu(II) to a specific site in the N terminus, involving His-50 as the anchoring residue and other nitrogen/oxygen donor atoms in a square planar or distorted tetragonal geometry. The carboxylate-rich C terminus, originally thought to drive copper binding, is able to coordinate a second Cu(II) equivalent, albeit with a 300-fold reduced affinity. The NMR analysis of AS–Cu(II) complexes reveals the existence of conformational restrictions in the native state of the protein. The metallobiology of Cu(II) in Parkinson's disease is discussed by a comparative analysis with other Cu(II)-binding proteins involved in neurodegenerative disorders. PMID:15767574

Solar Type II Radio Bursts and IP Type II Events

Science.gov (United States)

Cane, H. V.; Erickson, W. C.

2005-01-01

We have examined radio data from the WAVES experiment on the Wind spacecraft in conjunction with ground-based data in order to investigate the relationship between the shocks responsible for metric type II radio bursts and the shocks in front of coronal mass ejections (CMEs). The bow shocks of fast, large CMEs are strong interplanetary (IP) shocks, and the associated radio emissions often consist of single broad bands starting below approx. 4 MHz; such emissions were previously called IP type II events. In contrast, metric type II bursts are usually narrowbanded and display two harmonically related bands. In addition to displaying complete dynamic spectra for a number of events, we also analyze the 135 WAVES 1 - 14 MHz slow-drift time periods in 2001-2003. We find that most of the periods contain multiple phenomena, which we divide into three groups: metric type II extensions, IP type II events, and blobs and bands. About half of the WAVES listings include probable extensions of metric type II radio bursts, but in more than half of these events, there were also other slow-drift features. In the 3 yr study period, there were 31 IP type II events; these were associated with the very fastest CMEs. The most common form of activity in the WAVES events, blobs and bands in the frequency range between 1 and 8 MHz, fall below an envelope consistent with the early signatures of an IP type II event. However, most of this activity lasts only a few tens of minutes, whereas IP type II events last for many hours. In this study we find many examples in the radio data of two shock-like phenomena with different characteristics that occur simultaneously in the metric and decametric/hectometric bands, and no clear example of a metric type II burst that extends continuously down in frequency to become an IP type II event. The simplest interpretation is that metric type II bursts, unlike IP type II events, are not caused by shocks driven in front of CMEs.

Ground motion prediction needs for nuclear engineering design

International Nuclear Information System (INIS)

Hadjian, A.H.

1985-01-01

The basic design philosophy of nuclear power plants stipulates that the risk to the public be as low as reasonably achievable. As a result of this philosophy, the seismic design of nuclear power plants has tended, over time, to diverge from that of other engineered structures. The emphasis at the present time is to specify ground motion at a nuclear facility site as realistically as possible and to design all safety-related structures to respond to the specified ground motion in the elastic range. The characteristics of this realistic design ground motion are discussed and present prediction needs identified

Using Simulated Ground Motions to Constrain Near-Source Ground Motion Prediction Equations in Areas Experiencing Induced Seismicity

Science.gov (United States)

Bydlon, S. A.; Dunham, E. M.

2016-12-01

Recent increases in seismic activity in historically quiescent areas such as Oklahoma, Texas, and Arkansas, including large, potentially induced events such as the 2011 Mw 5.6 Prague, OK, earthquake, have spurred the need for investigation into expected ground motions associated with these seismic sources. The neoteric nature of this seismicity increase corresponds to a scarcity of ground motion recordings within 50 km of earthquakes Mw 3.0 and greater, with increasing scarcity at larger magnitudes. Gathering additional near-source ground motion data will help better constraints on regional ground motion prediction equations (GMPEs) and will happen over time, but this leaves open the possibility of damaging earthquakes occurring before potential ground shaking and seismic hazard in these areas are properly understood. To aid the effort of constraining near-source GMPEs associated with induced seismicity, we integrate synthetic ground motion data from simulated earthquakes into the process. Using the dynamic rupture and seismic wave propagation code waveqlab3d, we perform verification and validation exercises intended to establish confidence in simulated ground motions for use in constraining GMPEs. We verify the accuracy of our ground motion simulator by performing the PEER/SCEC layer-over-halfspace comparison problem LOH.1 Validation exercises to ensure that we are synthesizing realistic ground motion data include comparisons to recorded ground motions for specific earthquakes in target areas of Oklahoma between Mw 3.0 and 4.0. Using a 3D velocity structure that includes a 1D structure with additional small-scale heterogeneity, the properties of which are based on well-log data from Oklahoma, we perform ground motion simulations of small (Mw 3.0 - 4.0) earthquakes using point moment tensor sources. We use the resulting synthetic ground motion data to develop GMPEs for small earthquakes in Oklahoma. Preliminary results indicate that ground motions can be amplified

SEISRISK II; a computer program for seismic hazard estimation

Science.gov (United States)

Bender, Bernice; Perkins, D.M.

1982-01-01

The computer program SEISRISK II calculates probabilistic ground motion values for use in seismic hazard mapping. SEISRISK II employs a model that allows earthquakes to occur as points within source zones and as finite-length ruptures along faults. It assumes that earthquake occurrences have a Poisson distribution, that occurrence rates remain constant during the time period considered, that ground motion resulting from an earthquake is a known function of magnitude and distance, that seismically homogeneous source zones are defined, that fault locations are known, that fault rupture lengths depend on magnitude, and that earthquake rates as a function of magnitude are specified for each source. SEISRISK II calculates for each site on a grid of sites the level of ground motion that has a specified probability of being exceeded during a given time period. The program was designed to process a large (essentially unlimited) number of sites and sources efficiently and has been used to produce regional and national maps of seismic hazard.}t is a substantial revision of an earlier program SEISRISK I, which has never been documented. SEISRISK II runs considerably [aster and gives more accurate results than the earlier program and in addition includes rupture length and acceleration variability which were not contained in the original version. We describe the model and how it is implemented in the computer program and provide a flowchart and listing of the code.

Examination of Below-Ground Structure and Soil Respiration Rates of Stable and Deteriorating Salt Marshes in Jamaica Bay (NY)

Science.gov (United States)

CAT scan imaging is currently being used to examine below-ground peat and root structure in cores collected from salt marshes of Jamaica Bay, part of the Gateway National Recreation Area (NY). CAT scans or Computer-Aided Tomography scans use X-ray equipment to produce multiple i...

Analysis of a Mark II containment structure for hydrodynamic loads in suppression pool

International Nuclear Information System (INIS)

Bedrosian, B.

1978-01-01

During pressure-relief modes of BWR plant operation forcing signals are introduced into the suppression pool at discrete locations: exit nozzles of SRV discharge pipes (quenchers or ramsheads). These forcing signals are transmitted through the water of the suppression pool and, after reaching the pool boundaries, act as loadings on the containment structure wetted perimeter. The response of the containment structure is influenced by the presence of water as it interacts with the structure during application of the load. An adequate analysis must account for fluid-structure interaction (FSI) effects. This paper presents an exact formulation for solving the problem. FSI effects may become significant for a given geometry if the time history of loading and the dynamic properties of the coupled fluid-structure system satisfy a defined (system related) relationship. Results of analyses and parametric/sensitivity studies performed for the steel containment structure of an 1100 Mwe BWR nuclear plant of Mark II configuration are presented. (Author)

Effect of electron correlations and Breit interactions on ground-state fine-structures along the nitrogen-like isoelectronic sequence

International Nuclear Information System (INIS)

Wang Xiaolu; Lu Wenlai; Gao Xiang; Li Jiaming

2009-01-01

The accurate atomic data of nitrogen and nitrogen-like ions have an importance role in fusion plasma studies and astrophysics studies. The precise calculation of fine-structures is required to obtain such atomic data. Along the whole nitrogen isoelectronic sequence, the contributions of the electron correlations, the Breit interactions and the quantum electrodynamics corrections on the ground-state fine-structures are elucidated. When Z is low, the electron correlations are important, and the Breit interactions, which cannot be neglected cause interesting anomalous fine-structure splittings. When Z is high, the electron correlations are less important, and the Breit interactions are important in addition to spin-orbit interactions for precise calculations. (authors)

Electronic structure and electric fields gradients of crystalline Sn(II) and Sn(IV) compounds

International Nuclear Information System (INIS)

Terra, J.; Guenzburger, D.

1991-01-01

The electronic structures of clusters representing crystalline compounds of Sn(II) and Sn(IV) were investigated, employing the first-principles Discrete Variational method and Local Density theory. Densities of states and related parameters were obtained and compared with experimental measurements and with results from band structure calculations. Effects of cluster size and of cluster truncated bonds are discussed. Electric field gradients at the Sn nucleus were calculated; results are analysed in terms of charge distribution and chemical bonding in the crystals. (author)

Response characteristics of reactor building on weathered soft rock ground

International Nuclear Information System (INIS)

Hirata, Kazuta; Tochigi, Hitoshi

1991-01-01

The purpose of this study is to investigate the seismic stability of nuclear power plants on layered soft bedrock grounds, focusing on the seismic response of reactor buildings. In this case, the soft bedrock grounds refer to the weathered soft bedrocks with several tens meter thickness overlaying hard bedrocks. Under this condition, there are two subjects regarding the estimation of the seismic response of reactor buildings. One is the estimation of the seismic response of surface ground, and another is the estimation of soil-structure interaction characteristics for the structures embedded in the layered grounds with low impedandce ratio between the surface ground and the bedrock. Paying attention to these subjects, many cases of seismic response analysis were carried out, and the following facts were clarified. In the soft rock grounds overlaying hard bedrocks, it was proved that the response acceleration was larger than the case of uniform hard bedrocks. A simplified sway and rocking model was proposed to consider soil-structure interaction. It was proved that the response of reactor buildings was small when the effect of embedment was considered. (K.I.)

GPM Ground Validation: Pre to Post-Launch Era

Science.gov (United States)

Petersen, Walt; Skofronick-Jackson, Gail; Huffman, George

2015-04-01

NASA GPM Ground Validation (GV) activities have transitioned from the pre to post-launch era. Prior to launch direct validation networks and associated partner institutions were identified world-wide, covering a plethora of precipitation regimes. In the U.S. direct GV efforts focused on use of new operational products such as the NOAA Multi-Radar Multi-Sensor suite (MRMS) for TRMM validation and GPM radiometer algorithm database development. In the post-launch, MRMS products including precipitation rate, accumulation, types and data quality are being routinely generated to facilitate statistical GV of instantaneous (e.g., Level II orbit) and merged (e.g., IMERG) GPM products. Toward assessing precipitation column impacts on product uncertainties, range-gate to pixel-level validation of both Dual-Frequency Precipitation Radar (DPR) and GPM microwave imager data are performed using GPM Validation Network (VN) ground radar and satellite data processing software. VN software ingests quality-controlled volumetric radar datasets and geo-matches those data to coincident DPR and radiometer level-II data. When combined MRMS and VN datasets enable more comprehensive interpretation of both ground and satellite-based estimation uncertainties. To support physical validation efforts eight (one) field campaigns have been conducted in the pre (post) launch era. The campaigns span regimes from northern latitude cold-season snow to warm tropical rain. Most recently the Integrated Precipitation and Hydrology Experiment (IPHEx) took place in the mountains of North Carolina and involved combined airborne and ground-based measurements of orographic precipitation and hydrologic processes underneath the GPM Core satellite. One more U.S. GV field campaign (OLYMPEX) is planned for late 2015 and will address cold-season precipitation estimation, process and hydrology in the orographic and oceanic domains of western Washington State. Finally, continuous direct and physical validation

Mechanical properties of ground state structures in substitutional ordered alloys: High strength, high ductility and high thermal stability

International Nuclear Information System (INIS)

Tawancy, H.M.; Aboelfotoh, M.O.

2014-01-01

We have studied the effect of atom arrangements in the ground state structures of substitutional ordered alloys on their mechanical properties using nickel–molybdenum-based alloys as model systems. Three alloys with nominal compositions of Ni–19.43 at% Mo, Ni–18.53 at% Mo–15.21 at% Cr and Ni–18.72 at% Mo–6.14 at% Nb are included in the study. In agreement with theoretical predictions, the closely related Pt 2 Mo-type, DO 22 and D1 a superlattices with similar energies are identified by electron diffraction of ground state structures, which can directly be derived from the parent disordered fcc structure by minor atom rearrangements on {420} fcc planes. The three superlattices are observed to coexist during the disorder–order transformation at 700 °C with the most stable superlattice being determined by the exact chemical composition. Although most of the slip systems in the parent disordered fcc structure are suppressed, many of the twinning systems remain operative in the superlattices favoring deformation by twinning, which leads to considerable strengthening while maintaining high ductility levels. Both the Pt 2 Mo-type and DO 22 superlattices are distinguished by high strength and high ductility due to their nanoscale microstructures, which have high thermal stability. However, the D1 a superlattice is found to exhibit poor thermal stability leading to considerable loss of ductility, which has been correlated with self-induced recrystallization by migration of grain boundaries

Mechanical properties of ground state structures in substitutional ordered alloys: High strength, high ductility and high thermal stability

Energy Technology Data Exchange (ETDEWEB)

Tawancy, H.M., E-mail: tawancy@kfupm.edu.sa [Center for Engineering Research, Research Institute, King Fahd University of Petroleum and Minerals, KFUPM Box 1639, Dhahran 31261 (Saudi Arabia); Aboelfotoh, M.O., E-mail: oaboelfotoh@gmail.com [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27606 (United States)

2014-05-01

We have studied the effect of atom arrangements in the ground state structures of substitutional ordered alloys on their mechanical properties using nickel–molybdenum-based alloys as model systems. Three alloys with nominal compositions of Ni–19.43 at% Mo, Ni–18.53 at% Mo–15.21 at% Cr and Ni–18.72 at% Mo–6.14 at% Nb are included in the study. In agreement with theoretical predictions, the closely related Pt{sub 2}Mo-type, DO{sub 22} and D1{sub a} superlattices with similar energies are identified by electron diffraction of ground state structures, which can directly be derived from the parent disordered fcc structure by minor atom rearrangements on {420}{sub fcc} planes. The three superlattices are observed to coexist during the disorder–order transformation at 700 °C with the most stable superlattice being determined by the exact chemical composition. Although most of the slip systems in the parent disordered fcc structure are suppressed, many of the twinning systems remain operative in the superlattices favoring deformation by twinning, which leads to considerable strengthening while maintaining high ductility levels. Both the Pt{sub 2}Mo-type and DO{sub 22} superlattices are distinguished by high strength and high ductility due to their nanoscale microstructures, which have high thermal stability. However, the D1{sub a} superlattice is found to exhibit poor thermal stability leading to considerable loss of ductility, which has been correlated with self-induced recrystallization by migration of grain boundaries.

Results of detailed ground geophysical surveys for locating and differentiating waste structures in waste management area 'A' at Chalk River Laboratories, Ontario

Energy Technology Data Exchange (ETDEWEB)

Tomsons, D.K.; Street, P.J.; Lodha, G.S

1999-07-01

Waste Management Area 'A' (WMA 'A'), located in the outer area of the Chalk River Laboratories (CRL) was in use as a waste burial site from 1946 to 1955. Waste management structures include debris-filled trenches, concrete bunkers and miscellaneous contaminated solid materials, and ditches and pits used for liquid dispersal. In order to update historical records, it was proposed to conduct detailed ground geophysical surveys to define the locations of waste management structures in WMA 'A', assist in planning of the drilling and sampling program to provide ground truth for the geophysics investigation and to predict the nature and locations of unknown/undefined shallow structures. A detailed ground geophysical survey grid was established with a total of 127 grid lines, oriented NNE and spaced one metre apart. The geophysical surveys were carried out during August and September, 1996. The combination of geophysical tools used included the Geonics EM61 metal detector, the GSM-19 magnetometer/gradiometer and a RAMAC high frequency ground penetrating radar system. The geophysical surveys were successful in identifying waste management structures and in characterizing to some extent, the composition of the waste. The geophysical surveys are able to determine the presence of most of the known waste management structures, especially in the western and central portions of the grid which contain the majority of the metallic waste. The eastern portion of the grid has a completely different geophysical character. While historical records show that trenches were dug, they are far less evident in the geophysical record. There is clear evidence for a trench running between lines 30E and 63E at 70 m. There are indications from the radar survey of other trench-like structures in the eastern portion. EM61 data clearly show that there is far less metallic debris in the eastern portion. The geophysical surveys were also successful in identifying

Morphing Wing Structural Optimization Using Opposite-Based Population-Based Incremental Learning and Multigrid Ground Elements

Directory of Open Access Journals (Sweden)

S. Sleesongsom

2015-01-01

Full Text Available This paper has twin aims. Firstly, a multigrid design approach for optimization of an unconventional morphing wing is proposed. The structural design problem is assigned to optimize wing mass, lift effectiveness, and buckling factor subject to structural safety requirements. Design variables consist of partial topology, nodal positions, and component sizes of a wing internal structure. Such a design process can be accomplished by using multiple resolutions of ground elements, which is called a multigrid approach. Secondly, an opposite-based multiobjective population-based incremental learning (OMPBIL is proposed for comparison with the original multiobjective population-based incremental learning (MPBIL. Multiobjective design problems with single-grid and multigrid design variables are then posed and tackled by OMPBIL and MPBIL. The results show that using OMPBIL in combination with a multigrid design approach is the best design strategy. OMPBIL is superior to MPBIL since the former provides better population diversity. Aeroelastic trim for an elastic morphing wing is also presented.

A temperature-dependent theory for HeII: Application to the liquid structure factor

International Nuclear Information System (INIS)

Chela-Flores, J.; Ghassib, H.B.

1981-08-01

A temperature-dependent theory is presented for HeII, which is based on both a gauge-theoretic formulation as well as a mean-field (Hartree) approach. A simple model calculation is then performed within this framework for the liquid structure factor of the system. In particular, explicit expressions are obtained for the low-momentum-transfer and low-temperature limits, which seem to conform with the available experimental data. Further, the curvature of the structure factor is predicted, under these circumstances, to be only mildly dependent on temperature. Throughout, we compare and contrast with other theoretical attempts, including Feynman's. (author)

Ground subsidence and associated ground fracturing in urban areas: InSAR monitoring of active tectonic structures (Ciudad Guzman, Colima Graben - Mexico)

Science.gov (United States)

Bignami, C.; Brunori, C.; Zucca, F.; Groppelli, G.; Norini, G.; Hernandez, N. D.; Stramondo, S.

2013-12-01

This study focuses on the observation of a creeping phenomenon that produces subsidence of the Zapotlan basin and ground fracturing in correspondence of the Ciudad Guzmàn (Jalisco - Mexico). The September 21, 2012, the Ciudad Guzmàn has been struck by a phenomenon of ground fracturing of about 1.5 km of length. This event caused the deformation of the roads and the damage of 30 houses, of which eight have been declared uninhabitable. The alignment of fractures is coincident with the escarpments produced in September 19, 1985, in the Ciudad Guzman urban area, when a strong earthquake, magnitude 8.1, struck the Mexican area, causing the deaths of at least 10,000 people and serious damage in Mexico City. In Ciudad Guzmán, about 60% of the buildings were destroyed, with about 50 loss of life. The city is located in the Zapotlan basin (northern Colima graben), a wide tectonic depression where the depth of the infilling sediments is about 1 km. This subsidence cannot be measured outside the urbanized area, but it can be considered as a deformation mechanism of the central part of the basin. In order to detect and mapping the spatio-temporal features of the processes that led to this event, we applied InSAR multi-temporal techniques to analyze a dataset of ENVISAT satellite SAR images, acquired in a time span between 2003-2010. InSAR techniques detect a subsidence of the north-western part of Ciudad Guzmàn of about 15 mm/yr in the time interval 2003-2010. The displacement occurred in September 21, 2012, was detected using two RadarSAT2 acquisitions (2012-03-22 and 2013-03-17). The explanation of surface movements based on interferometric results, ground data and geological field observations, allowed confirming surface effect due to the overexploitation of the aquifers and highlights a subsidence due to anthropogenic causes coupled to buried tectonic structures.

Crystal Structure of [Bis(DIMETHYLFORMAMIDE Bis (2,2’-PYRIDYLQUINOLINE Iron (II] Bis-(TETRAPHENYLBORATE

Directory of Open Access Journals (Sweden)

Bohari M. Yamin

2009-11-01

Full Text Available The goal of this research is to obtain single crystal and structural information of iron(II complex with 2,(2'-pyridylquinoline(pq ligands. The reaction of iron(II salt with 2,(2'-pyridylquinoline ligand and sodiumtetraphenylborate in the molar ratio of 1:3:2 in methanol-N,N-dimethylformamide(dmf solution results in an iron(IIcomplex. The formula of the [Fe(pq2(dmf2](BPh42 complex has been obtained from the iron(II and C, H, N contents.Single crystal of [Fe(pq2(dmf2](BPh42 suitable for X-ray investigation was obtained by evaporation of the complexsolution in N,N-dimethylformamide at room temperature after 24 hours. This compound crystallizes in monoclinicsystem with C2/c space group, a = 27.950(4, b = 14.169(7, c = 17.717(9 Å and b = 105.669(11°. The structureconsist of iron(II is chelated by two pq ligands through the N atoms and two dmf molecules in a six-coordinationenvironment. The charge of the [Fe(pq2(dmf2]2+ cation is balanced by two tetraphenylborate (BPh4- anions.

Coordination compounds of cobalt(II), nickel(II), copper(II), and zinc(II) with pantothenic acid

Energy Technology Data Exchange (ETDEWEB)

Shabilalov, A.A.; Yunuskhodzhaev, A.N.; Khodzhaev, O.F.; Azizov, M.A.

1986-11-01

The compounds Ni(PANA - H)/sub 2/ x 4H/sub 2/O (PANA stands for pantothenic acid, and - H indicates a deprotonated ligand), Cu(PANA - H)/sub 2/ x 2H/sub 2/O, Zn(PANA - H)/sub 2/ x H/sub 2/O, Co(PANA - H)Cl x H/sub 2/O, and Ni(PANA - H)Cl x 3H/sub 2/O have been synthesized on the basis of pantothenic acid and Co(II), Ni(II), Cu(II), and Zn(II) salts in aqueous media. The compounds have been identified by elemental and x-ray diffraction analysis. Some physicochemical properties (solubility, melting point, molar conductivity) of the compounds obtained have been studied. The structure of the compounds isolated has been established on the basis of an analysis of their IR, ESR, and electronic spectra, as well as derivatograms.

Structure-antiproliferative activity studies on l-proline- and homoproline-4-N-pyrrolidine-3-thiosemicarbazone hybrids and their nickel(ii), palladium(ii) and copper(ii) complexes.

Science.gov (United States)

Dobrova, Aliona; Platzer, Sonja; Bacher, Felix; Milunovic, Miljan N M; Dobrov, Anatolie; Spengler, Gabriella; Enyedy, Éva A; Novitchi, Ghenadie; Arion, Vladimir B

2016-09-14

Two water-soluble thiosemicarbazone-proline (H2L(1)) and thiosemicarbazone-homoproline hybrids (H2L(2)) were synthesised. By reaction of H2L(1) with NiCl2·6H2O, PdCl2 and CuCl2·2H2O in ethanol, the series of square-planar complexes [Ni(H2L(1))Cl]Cl·1.3H2O (1·1.3H2O), [Pd(H2L(1))Cl]Cl·H2O (2·H2O) and [Cu(H2L(1))Cl]Cl·0.7H2O (3·0.7H2O) was prepared, and starting from H2L(2) and CuCl2·2H2O in methanol, the complex [Cu(H2L(2))Cl2]·H2O (4·H2O) was obtained. The compounds have been characterised by elemental analysis, spectroscopic methods (IR, UV-vis and NMR spectroscopy), ESI mass spectrometry and single crystal X-ray crystallography (H2L(1), 1, 2 and 4). As a solid, 1 is diamagnetic, while it is paramagnetic in methanolic solution. The effective magnetic moment of 3.26 B.M. at room temperature indicates the change in coordination geometry from square-planar to octahedral upon dissolution. The in vitro anticancer potency of ligand precursors H2L(1) and H2L(2) and metal complexes 1-4 was studied in three human cancer cell lines (A549, CH1 and SW480) and in noncancerous murine embryonal fibroblasts (NIH/3T3), and the mechanism of cell death was also assayed by flow cytometry. Clear-cut structure-activity relationships have been established. The metal ions exert marked effects in a divergent manner: copper(ii) increases, whereas nickel(ii) and palladium(ii) decrease the cytotoxicity of the hybrids. The antiproliferative activity of H2L(1) and metal complexes 1-3 decreases in all three tumour cell lines in the following rank order: 3 > H2L(1) > 1 > 2. The role of square-planar geometry in the underlying mechanism of cytotoxicity of the metal complexes studied seems to be negligible, while structural modifications at the terminal amino group of thiosemicarbazide and proline moieties are significant for enhancing the antiproliferative activity of both hybrids and copper(ii) complexes.

New heteroleptic Zn(II) complexes of thiosemicarbazone and diimine Co-Ligands: Structural analysis and their biological impacts

Science.gov (United States)

Mathan Kumar, Shanmugaiah; Kesavan, Mookkandi Palsamy; Vinoth Kumar, Gujuluva Gangatharan; Sankarganesh, Murugesan; Chakkaravarthi, Ganesan; Rajagopal, Gurusamy; Rajesh, Jegathalaprathaban

2018-02-01

A thiosemicarbazone ligand HL appended new Zn(II) complexes [Zn(L)(bpy)] (1) and [Zn(L)(phen)] (2) (where, HL = {2-(3-bromo-5-chloro-2-hydroxybenzylidene)-N-phenylhydrazinecarbothioamide}, bpy = 2, 2‧-bipyridine and phen = 1, 10-phenanthroline) have been synthesized and well characterized using conventional spectroscopic techniques viz.,1H NMR, FTIR and UV-Vis spectra. The crystal structures of complexes 1 and 2 have been determined by single crystal X-ray diffraction studies. Both the complex 1 (τ = 0.5) and 2 (τ = 0.37) possesses square based pyramidally distorted trigonal bipyramidal geometry. The ground state electronic structures of complexes 1 and 2 were investigated by DFT/B3LYP theoretical analysis using 6-311G (d,p) and LANL2DZ basis set level. The superior DNA binding ability of complex 2 has been evaluated using absorption and fluorescence spectral titration studies. Antimicrobial evaluation reveals that complex 2 endowed better screening than HL and complex 1 against both bacterial as well as fungal species. Consequently, complex 2 possesses highest antibacterial screening against Staphylococcus aureus (MIC = 3.0 ± 0.23 mM) and antifungal screening against Candida albicans (MIC = 6.0 ± 0.11 mM). Furthermore, the anticancer activity of the ligand HL, complexes 1 and 2 have been examined against the MCF-7 cell line (Human breast cancer cell line) using MTT assay. It is remarkable that complex 2 (12 ± 0.67 μM) show highest anticancer activity than HL (25.0 ± 0.91 μM) and complex 1 (15 ± 0.88 μM) due to the presence of phen ligand moiety.

Crystal structure of dichloridobis(N,N′-dimethylthiourea-κSmercury(II

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Muhammad Ashraf Shaheen

2015-09-01

Full Text Available The molecular structure of the title compound, [HgCl2(C3H8N2S2], has point group symmetry 2, with the twofold rotation axis passing through the HgII atom. The latter is coordinated by two Cl atoms and two N,N′-dimethylthiourea (Dmtu ligands through their S atoms, defining a distorted tetrahedral coordination sphere with bond angles in the range 102.47 (4–118.32 (4°. Intra- and intermolecular hydrogen bonds of the type N—H...Cl with S(6 and R22(12 ring motifs are present. The intermolecular contacts make up polymeric chains extending parallel to [101].

Coordination and structure of Ca(II)-acetate complexes in aqueous solution studied by a combination of Raman and XAFS spectroscopies

Science.gov (United States)

Muñoz Noval, Álvaro; Nishio, Daisuke; Kuruma, Takuya; Hayakawa, Shinjiro

2018-06-01

The determination of the structure of Ca(II)-acetate in aqueous solution has been addressed by combining Raman and X-ray absorption fine structure spectroscopies. The pH-dependent speciation of the acetate/Ca(II) system has been studied observing modifications in specific Raman bands of the carboxyl group. The current results evidence the Ca(II)-acetate above acetate pKa forms a bidentate complex and presents a coordination 6, in which the Ca-O shell radius decrease of about 0.1 Å with respect the hydrated Ca2+ with coordination 8. The experimental results show the OCO angle of the carboxyl in the complex is close to 124°, being the OCaO angle about 60°.

The structuring of narrative texts into figure and ground: attention, memory and language DOI - 10.5752/P.2358-3428.2014v18n34p163

Directory of Open Access Journals (Sweden)

Adriana Maria Tenuta

2014-07-01

Full Text Available In narrative texts, some events compose the core story line and, due to their cognitive status of focus and salience, are grammatically and discursively marked as figure. Events that do not share this status are marked as narrative ground and provide information that support those central story. elements (HOPPER, 1979; TENUTA, 2006. This process of figuration in narratives reflects the cognitive principle of human perception in terms of figure and ground, proposed by the Gestalt Psychology. (KOFFKA, 1975; WERTHEIMER, 1938. This article aims at reporting results of a study that investigated the process of figuration in oral narratives produced by 13 subjects. It was tested the hypothesis of a relation between the occurrence of figure or ground narrative units and tasks with distinct cognitive demands of attention and memory. A logistic regression model showed patterns of narrative structuring connected to specific task types. The results suggest a correlation between linguistic representation of information from memory (BADDELEY, 2007’s memory model and the amount of narrative ground structures. From Bruner (2002 and Chafe’s (1990 perspectives, it is understood that narratives produced from memory content tend to have more ground units, with greater manipulation of cognitive models, not reflecting an objective representation of reality.Keywords: Attention. Memory. Cognition. Narrative. Figure and ground.

Rapid visual grouping and figure-ground processing using temporally structured displays.

Science.gov (United States)

Cheadle, Samuel; Usher, Marius; Müller, Hermann J

2010-08-23

We examine the time course of visual grouping and figure-ground processing. Figure (contour) and ground (random-texture) elements were flickered with different phases (i.e., contour and background are alternated), requiring the observer to group information within a pre-specified time window. It was found this grouping has a high temporal resolution: less than 20ms for smooth contours, and less than 50ms for line conjunctions with sharp angles. Furthermore, the grouping process takes place without an explicit knowledge of the phase of the elements, and it requires a cumulative build-up of information. The results are discussed in relation to the neural mechanism for visual grouping and figure-ground segregation. Copyright 2010 Elsevier Ltd. All rights reserved.

Crystalline beam ground state

International Nuclear Information System (INIS)

Wei, Jie; Li, Xiao-Ping; Sessler, A.M.

1993-01-01

In order to employ Molecular Dynamics method, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations has been performed to obtain the equilibrium structure. The effects of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time-dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Rahman and Schiffer, depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

Crystalline beam ground state

International Nuclear Information System (INIS)

Wei, Jie; Li, Xiao-Ping

1993-01-01

In order to employ molecular dynamics (MD) methods, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations using MD methods has been performed to obtain the equilibrium crystalline beam structure. The effect of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Schiffer et al. depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

Crystalline beam ground state

International Nuclear Information System (INIS)

Wei, J.; Li, X.P.

1993-01-01

In order to employ the Molecular Dynamics method, commonly used in condensed matter physics, the authors have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. They include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations has been performed to obtain the equilibrium structure. The effects of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time-dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Rahman and Schiffer, depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

Adsorption and desorption of Cd(II) onto titanate nanotubes and efficient regeneration of tubular structures

International Nuclear Information System (INIS)

Wang, Ting; Liu, Wen; Xu, Nan; Ni, Jinren

2013-01-01

Highlights: ► Satisfactory reuse of TNTs due to easy regeneration of tubular structures. ► TNTs regeneration using only 2% of NaOH needed for virgin TNTs preparation. ► Excellent regeneration attributed to steady TNTs skeleton and complex form of TNTs-OCd + OH − onto adsorbed TNTs. -- Abstract: Efficient regeneration of desorbed titanate nanotubes (TNTs) was investigated with cycled Cd(II) adsorption and desorption processes. After desorption of Cd (II) from TNTs using 0.1 M HNO 3 , regeneration could be simply achieved with only 0.2 M NaOH at ambient temperature, i.e. 2% of the NaOH needed for virgin TNTs preparation at 130 °C. The regenerated TNTs displayed similar adsorption capacity of Cd(II) even after six recycles, while significant reduction could be detected for desorbed TNTs without regeneration. The virgin TNTs, absorbed TNTs, desorbed TNTs and regenerated TNTs were systematically characterized. As results, the ion-exchange mechanism with Na + in TNTs was convinced with obvious change of -TiO(ONa) 2 by FTIR spectroscopy. The easy recovery of the damaged tubular structures proved by TEM and XRD was ascribed to asymmetric distribution of H + and Na + on the surface side and interlayer region of TNTs. More importantly, the cost-effective regeneration was found possibly related to complex form of TNTs-OCd + OH − onto the adsorbed TNTs, which was identified with help of X-ray photoelectron spectroscopy, and further indicated due to high relevance to an unexpected mole ratio of 1:1 between exchanged Na + and absorbed Cd(II)

PSP SAR interferometry monitoring of ground and structure deformations in the archeological site of Pompeii

Science.gov (United States)

Costantini, Mario; Francioni, Elena; Paglia, Luca; Minati, Federico; Margottini, Claudio; Spizzichino, Daniele; Trigila, Alessandro; Iadanza, Carla; De Nigris, Bruno

2016-04-01

The "Major Project Pompeii" (MPP) is a great collective commitment of different institututions and people to set about solving the serious problem of conservation of the largest archeological sites in the world. The ancient city of Pompeii with its 66 hectares, 44 of which are excaveted, is divided into 9 regiones (district), subdivided in 118 insulae (blocks) and almost 1500 domus (houses), and is Unesco site since 1996. The Italian Ministry for Heritage and Cultural Activities and Tourism (MiBACT) and Finmeccanica Group have sealed an agreement whereby the Finmeccanica Group will donate innovative technologies and services for monitoring and protecting the archaeological site of Pompeii. Moreover, the Italian Institute for Environment Protection and Research (ISPRA) - Geological Survey of Italy, was also involved to support the ground based analysis and interpretation of the measurements provided by the industrial team, in order to promote an interdisciplinary approach. In this work, we will focus on ground deformation measurements obtained by satellite SAR interferometry and on their interpretation. The satellite monitoring service is based on the processing of COSMO-SkyMed Himage data by the e-Geos proprietary Persistent Scatterer Pair (PSP) SAR interferometry technology. The PSP technique is a proven SAR interferometry method characterized by the fact of exploiting in the processing only the relative properties between close points (pairs) in order to overcome atmospheric artifacts (which are one of the main problems of SAR interferometry). Validations analyses showed that this technique applied to COSMO-SkyMed Himage data is able to retrieve very dense (except of course on vegetated or cultivated areas) millimetric deformation measurements with sub-metric localization. By means of the COSMO-SkyMed PSP SAR interferometry processing, a historical analysis of the ground and structure deformations occurred over the entire archaeological site of Pompeii in the

Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties

International Nuclear Information System (INIS)

Jiang Xianrong; Yuan Hongyan; Feng Yunlong

2012-01-01

Five Zn(II) and Cd(II) coordination polymers, [Zn 2 (BOABA)(bpp)(OH)]·0.5H 2 O (1), [Cd 3 (BOABA) 2 (bpp) 2 (H 2 O) 6 ]·2H 2 O (2), [Cd 3 (BOABA) 2 (2,2′-bipy) 3 (H 2 O) 4 ]·5.5H 2 O (3), [CdNa(BOABA)(H 2 O)] 2 ·H 2 O (4) and [Cd 2 (BOABA)(bimb)Cl(H 2 O) 2 ]·H 2 O (5) (H 3 BOABA=3,5-bis-oxyacetate-benzoic acid, bpp=1,3-bi(4-pyridyl)propane, 2,2′-bipy=2,2′-bipyridine, bimb=1,4-bis(imidazol-1′-yl)butane), have been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectra and TG analyses. 1 is an uninodal 4-connected 2D square grid network based on binuclear zinc clusters. 2 is 2D wavelike layer structure and further linked by hydrogen bonds into the final 3D (5,6,6)-connected topology network. 3 is 3-connected 2D topology network and the 2,2′-bipy ligands decorate in two different types. 4 is a (4,8)-connected 2D topology network with heterocaryotic {Cd 2 Na 2 } clusters and BOABA 3– ligands. 5 can be rationalized as a (3,10)-connected 3D topology network with tetranuclear {Cd 4 Cl 2 } clusters and BOABA 3– ligands. Meanwhile, photoluminescence studies revealed that these five coordination polymers display strong fluorescent emission bands in the solid state at room temperature. - Graphical abstract: Five new d 10 metal(II) coordination polymers based on H 3 BOABA ligand were obtained and characterized. They display different topological structures and luminescent properties. Highlights: ► Five d 10 metal(II) polymers based on 3,5-bis-oxyacetate-benzoic acid were obtained. ► The polymers were structurally characterized by single-crystal X-ray diffraction. ► Polymers 1–5 display different topological structures. ► They show strong fluorescent emission bands in the solid state.

Glutamate Ligation in the Ni(II)- and Co(II)-Responsive Escherichia coli Transcriptional Regulator, RcnR

Energy Technology Data Exchange (ETDEWEB)

Carr, Carolyn E. [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, United States; Musiani, Francesco [Laboratory; Huang, Hsin-Ting [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, United States; Chivers, Peter T. [Departments of Biosciences and Chemistry, Durham University, Durham DH1 3LE, United Kingdom; Ciurli, Stefano [Laboratory; Maroney, Michael J. [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, United States

2017-05-18

Escherichia coli RcnR (resistance to cobalt and nickel regulator, EcRcnR) is a metal-responsive repressor of the genes encoding the Ni(II) and Co(II) exporter proteins RcnAB by binding to PRcnAB. The DNA binding affinity is weakened when the cognate ions Ni(II) and Co(II) bind to EcRcnR in a six-coordinate site that features a (N/O)5S ligand donor-atom set in distinct sites: while both metal ions are bound by the N terminus, Cys35, and His64, Co(II) is additionally bound by His3. On the other hand, the noncognate Zn(II) and Cu(I) ions feature a lower coordination number, have a solvent-accessible binding site, and coordinate protein ligands that do not include the N-terminal amine. A molecular model of apo-EcRcnR suggested potential roles for Glu34 and Glu63 in binding Ni(II) and Co(II) to EcRcnR. The roles of Glu34 and Glu63 in metal binding, metal selectivity, and function were therefore investigated using a structure/function approach. X-ray absorption spectroscopy was used to assess the structural changes in the Ni(II), Co(II), and Zn(II) binding sites of Glu → Ala and Glu → Cys variants at both positions. The effect of these structural alterations on the regulation of PrcnA by EcRcnR in response to metal binding was explored using LacZ reporter assays. These combined studies indicate that while Glu63 is a ligand for both metal ions, Glu34 is a ligand for Co(II) but possibly not for Ni(II). The Glu34 variants affect the structure of the cognate metal sites, but they have no effect on the transcriptional response. In contrast, the Glu63 variants affect both the structure and transcriptional response, although they do not completely abolish the function of EcRcnR. The structure of the Zn(II) site is not significantly perturbed by any of the glutamic acid variations. The spectroscopic and functional data obtained on the mutants were used to calculate models of the metal-site structures of EcRcnR bound to Ni(II), Co(II), and Zn(II). The results are interpreted

Early Site Permit Demonstration Program: Guidelines for determining design basis ground motions. Volume 2, Appendices

Energy Technology Data Exchange (ETDEWEB)

1993-03-18

This report develops and applies a methodology for estimating strong earthquake ground motion. The motivation was to develop a much needed tool for use in developing the seismic requirements for structural designs. An earthquake`s ground motion is a function of the earthquake`s magnitude, and the physical properties of the earth through which the seismic waves travel from the earthquake fault to the site of interest. The emphasis of this study is on ground motion estimation in Eastern North America (east of the Rocky Mountains), with particular emphasis on the Eastern United States and southeastern Canada. Eastern North America is a stable continental region, having sparse earthquake activity with rare occurrences of large earthquakes. While large earthquakes are of interest for assessing seismic hazard, little data exists from the region to empirically quantify their effects. The focus of the report is on the attributes of ground motion in Eastern North America that are of interest for the design of facilities such as nuclear power plants. This document, Volume II, contains Appendices 2, 3, 5, 6, and 7 covering the following topics: Eastern North American Empirical Ground Motion Data; Examination of Variance of Seismographic Network Data; Soil Amplification and Vertical-to-Horizontal Ratios from Analysis of Strong Motion Data From Active Tectonic Regions; Revision and Calibration of Ou and Herrmann Method; Generalized Ray Procedure for Modeling Ground Motion Attenuation; Crustal Models for Velocity Regionalization; Depth Distribution Models; Development of Generic Site Effects Model; Validation and Comparison of One-Dimensional Site Response Methodologies; Plots of Amplification Factors; Assessment of Coupling Between Vertical & Horizontal Motions in Nonlinear Site Response Analysis; and Modeling of Dynamic Soil Properties.

"Naturalist Inquiry" and Grounded Theory

Directory of Open Access Journals (Sweden)

Barney G. Glaser

2004-01-01

Full Text Available The world of Qualitative Data Analysis (QDA methodology became quite taken with LINCOLN and GUBA's book "Naturalist Inquiry" (1985. I have no issue with it with respect to its application to QDA; it helped clarify and advance so many QDA issues. However, its application to Grounded Theory (GT has been a major block on GT, as originated, by its cooptation and corruption hence remodeling of GT by default. LINCOLN and GUBA have simply assumed GT is just another QDA method, which it is not. In "The Grounded Theory Perspective II" (GLASER 2002a, Chapter 9 on credibility, I have discussed "Naturalist In­quiry" (NI thought regarding how LINCOLN and GUBA's notion of "trustworthy" data (or worrisome data orientation and how their view of constant comparison can and has remodeled and eroded GT. In this paper I will consider other aspects of NI that remodel GT. URN: urn:nbn:de:0114-fqs040170

Spin–Orbit TDDFT Electronic Structure of Diplatinum(II,II) Complexes

Czech Academy of Sciences Publication Activity Database

Záliš, Stanislav; Lam, Y.; Ch.; Gray, H. B.; Vlček, Antonín

2015-01-01

Roč. 54, č. 7 (2015), s. 3491-3500 ISSN 0020-1669 R&D Projects: GA MŠk LH13015 Institutional support: RVO:61388955 Keywords : BINUCLEAR PLATINUM(II) PHOTOCHEMISTRY * DENSITY-FUNCTIONAL THEORY * SPECTROSCOPIC PROPERTIES Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.820, year: 2015

Exploration of deep S-wave velocity structure using microtremor array technique to estimate long-period ground motion

International Nuclear Information System (INIS)

Sato, Hiroaki; Higashi, Sadanori; Sato, Kiyotaka

2007-01-01

In this study, microtremor array measurements were conducted at 9 sites in the Niigata plain to explore deep S-wave velocity structures for estimation of long-period earthquake ground motion. The 1D S-wave velocity profiles in the Niigata plain are characterized by 5 layers with S-wave velocities of 0.4, 0.8, 1.5, 2.1 and 3.0 km/s, respectively. The depth to the basement layer is deeper in the Niigata port area located at the Japan sea side of the Niigata plain. In this area, the basement depth is about 4.8 km around the Seirou town and about 4.1 km around the Niigata city, respectively. These features about the basement depth in the Niigata plain are consistent with the previous surveys. In order to verify the profiles derived from microtremor array exploration, we estimate the group velocities of Love wave for four propagation paths of long-period earthquake ground motion during Niigata-ken tyuetsu earthquake by multiple filter technique, which were compared with the theoretical ones calculated from the derived profiles. As a result, it was confirmed that the group velocities from the derived profiles were in good agreement with the ones from long-period earthquake ground motion records during Niigata-ken tyuetsu earthquake. Furthermore, we applied the estimation method of design basis earthquake input for seismically isolated nuclear power facilities by using normal mode solution to estimate long-period earthquake ground motion during Niigata-ken tyuetsu earthquake. As a result, it was demonstrated that the applicability of the above method for the estimation of long-period earthquake ground motion were improved by using the derived 1D S-wave velocity profile. (author)

A simple parameter-free wavefunction for the ground state of two-electron atoms

International Nuclear Information System (INIS)

Ancarani, L U; Rodriguez, K V; Gasaneo, G

2007-01-01

We propose a simple and pedagogical wavefunction for the ground state of two-electron atoms which (i) is parameter free (ii) satisfies all two-particle cusp conditions (iii) yields reasonable ground-state energies, including the prediction of a bound state for H - . The mean energy, and other mean physical quantities, is evaluated analytically. The simplicity of the result can be useful as an easy-to-use wavefunction when testing collision models

Complexes in the Ni2+-imidazole-RN(CH2COO-)2 systems. The crystal structures of tris(imidazole)iminodiacetatonickel(II) monohydrate, hexa(imidazole)nickel(II) bis(N-methyliminodiacetato)nickelate(II) hexahydrate, and tetra(aqua)bis(imidazole)nickel(II) bis(N-benzyliminodiacetato)nickelate(II)

International Nuclear Information System (INIS)

Polyakova, I.N.; Sergienko, V.S.; Poznyak, A.L.

2000-01-01

Crystals of different compositions, namely, [Ni(Ida)(Im) 3 ] · H 2 O (I), [Ni(Im) 6 ][Ni(Mida) 2 ] · 6H 2 O (II), and [Ni(Im) 2 (H 2 O) 4 ][Ni(Bida) 2 ] (III), have been precipitated from aqueous solutions of the Ni 2+ -Lig 2- Im systems, where Lig 2- is Ida, Mida, and Bida, respectively. The crystal structures of I-III are determined by X-ray diffraction analysis (R = 0.0307, 0.0348, and 0.0302 for 3061, 4706, and 2882 reflections, respectively). Crystals I are built of monomeric mixed-ligand complexes and molecules of crystallization water, which are interlinked by hydrogen bonds into a three-dimensional framework. In II and III, the ligands Lig 2- and Im form charged complexes separately. In II, the cationic and anionic layers of the complexes alternate along the c-axis. Numerous hydrogen bonds involving molecules of crystallization water link the layers into a three-dimensional framework. In III, the cationic and anionic complexes, which serve as proton donors and acceptors, respectively, are bound into layers parallel to the xy plane

Synthesis, molecular structure, biological properties and molecular docking studies on Mn(II), Co(II) and Zn(II) complexes containing bipyridine-azide ligands.

Science.gov (United States)

Thamilarasan, Vijayan; Jayamani, Arumugam; Sengottuvelan, Nallathambi

2015-01-07

Metal complexes of the type Mn(bpy)2(N3)2 (1), Co(bpy)2(N3)2·3H2O (2) and Zn2(bpy)2(N3)4 (3) (Where bpy = 2,2-bipyridine) have been synthesized and characterized by elemental analysis and spectral (FT-IR, UV-vis) studies. The structure of complexes (1-3) have been determined by single crystal X-ray diffraction studies and the configuration of ligand-coordinated metal(II) ion was well described as distorted octahedral coordination geometry for Mn(II), Co(II) and distorted square pyramidal geometry for Zn(II) complexes. DNA binding interaction of these complexes (1-3) were investigated by UV-vis absorption, fluorescence circular dichroism spectral and molecular docking studies. The intrinsic binding constants Kb of complexes 1, 2 and 3 with CT-DNA obtained from UV-vis absorption studies were 8.37 × 10(4), 2.23 × 10(5) and 5.52 × 10(4) M(-1) respectively. The results indicated that the three complexes are able to bind to DNA with different binding affinity, in the order 2 > 1 > 3. Complexes (1-3) exhibit a good binding propensity to bovine serum albumin (BSA) proteins having relatively high binding constant values. Gel electrophoresis assay demonstrated the ability of the complexes 1-3 promote the cleavage ability of the pBR322 plasmid DNA in the presence of the reducing agent 3-mercaptopropionic acid (MPA) but with different cleavage mechanisms: the complex 3 cleaves DNA via hydrolytic pathway (T4 DNA ligase assay), while the DNA cleavage by complexes 1 and 2 follows oxidative pathway. The chemical nuclease activity follows the order: 2 > 1 > 3. The effects of various activators were also investigated and the nuclease activity efficacy followed the order MPA > GSH > H2O2 > Asc. The cytotoxicity studies of complexes 1-3 were tested in vitro on breast cancer cell line (MCF-7) and they found to be active. Copyright © 2014. Published by Elsevier Masson SAS.

Effect of Different Ground Scenarios on Flow Structure of a Rotor At Hover Condition

Science.gov (United States)

Kocak, Goktug; Nalbantoglu, Volkan; Yavuz, Mehmet Metin

2017-11-01

The ground effect of a scaled model rotor at hover condition was investigated experimentally in a confined environment. Different ground effect scenarios including full, partial, and inclined conditions, compared to out of ground condition, were characterized qualitatively and quantitatively using laser illuminated smoke visualization and Laser Doppler Anemometry measurements. The results indicate that the presence of the ground affects the flow regime near the blade tip by changing the spatial extent and the path of the vortex core. After the impingement of the wake to the ground, highly unsteady and turbulent wake is observed. Both the mean and the root mean square of the induced velocity increase toward the blade tip. In line with this, the spectral power of the dominant frequency in the velocity fluctuations significantly increases toward the blade tip. All these observations are witnessed in all ground effect conditions tested in the present study. Considering the inclined ground effect in particular, it is observed that the mean induced velocities of the high side (mountain) are higher compared to the velocities of the low side (valley) in contrast to the general trend observed in the present study where the ground effect reduces the induced velocity.

Nonlinear interaction analysis of RC cylindrical tank with subsoil by adopting two kinds of constitutive models for ground and structure

Science.gov (United States)

Lewiński, Paweł M.; Dudziak, Sławomir

2018-01-01

In the paper, two kinds of constitutive models for ground and structure were adopted for the nonlinear interaction analysis of the RC cylindrical tank with subsoil. The paper discusses deformational and incremental approaches to a nonlinear FE analysis of soil-structure interaction including the description of behaviour of the RC structure and the subsoil under short-term loading. Moreover, a non-linear elastic-brittle-plastic analysis of RC axisymmetric structures using finite element iterative techniques is presented. The constitutive laws for concrete and subsoil are developed in compliance with the deformational and plastic flow theories of plasticity. Two examples of an FE analysis of soil-structure interaction were performed and the results were analysed.

OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

International Nuclear Information System (INIS)

Johnson, C.K.

1976-03-01

A computer program is described for drawing crystal structure illustrations using a mechanical plotter. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are also calculated to aid the structural study. The most recent version of the program, OR TEP-II, has a hidden-line-elimination feature to omit those portions of atoms or bonds behind other atoms or bonds

OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

Energy Technology Data Exchange (ETDEWEB)

Johnson, C.K.

1976-03-01

A computer program is described for drawing crystal structure illustrations using a mechanical plotter. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are also calculated to aid the structural study. The most recent version of the program, OR TEP-II, has a hidden-line-elimination feature to omit those portions of atoms or bonds behind other atoms or bonds.

Scaling earthquake ground motions for performance-based assessment of buildings

Science.gov (United States)

Huang, Y.-N.; Whittaker, A.S.; Luco, N.; Hamburger, R.O.

2011-01-01

The impact of alternate ground-motion scaling procedures on the distribution of displacement responses in simplified structural systems is investigated. Recommendations are provided for selecting and scaling ground motions for performance-based assessment of buildings. Four scaling methods are studied, namely, (1)geometric-mean scaling of pairs of ground motions, (2)spectrum matching of ground motions, (3)first-mode-period scaling to a target spectral acceleration, and (4)scaling of ground motions per the distribution of spectral demands. Data were developed by nonlinear response-history analysis of a large family of nonlinear single degree-of-freedom (SDOF) oscillators that could represent fixed-base and base-isolated structures. The advantages and disadvantages of each scaling method are discussed. The relationship between spectral shape and a ground-motion randomness parameter, is presented. A scaling procedure that explicitly considers spectral shape is proposed. ?? 2011 American Society of Civil Engineers.

Higher derivatives in Type II and M-theory on Calabi-Yau threefolds

Science.gov (United States)

Grimm, Thomas W.; Mayer, Kilian; Weissenbacher, Matthias

2018-02-01

The four- and five-dimensional effective actions of Calabi-Yau threefold compactifications are derived with a focus on terms involving up to four space-time derivatives. The starting points for these reductions are the ten- and eleven-dimensional supergravity actions supplemented with the known eight-derivative corrections that have been inferred from Type II string amplitudes. The corrected background solutions are determined and the fluctuations of the Kähler structure of the compact space and the form-field back-ground are discussed. It is concluded that the two-derivative effective actions for these fluctuations only takes the expected supergravity form if certain additional ten- and eleven-dimensional higher-derivative terms for the form-fields are included. The main results on the four-derivative terms include a detailed treatment of higher-derivative gravity coupled to Kähler structure deformations. This is supplemented by a derivation of the vector sector in reductions to five dimensions. While the general result is only given as an expansion in the fluctuations, a complete treatment of the one-Kähler modulus case is presented for both Type II theories and M-theory.

Reaction of Pb(II) and Zn(II) with Ethyl Linoleate To Form Structured Hybrid Inorganic–Organic Complexes: A Model for Degradation in Historic Paint Films

Energy Technology Data Exchange (ETDEWEB)

MacDonald, Margaret G.; Palmer, Michael R.; Suchomel, Matthew R.; Berrie, Barbara H. (NGA); (Bordeaux)

2016-09-23

To investigate soap formation in drying oils in historic paints, the reaction between metal acetates (K⁺, Zn²⁺, Pb²⁺) and ethyl linoleate (EL) was studied using optical microscopy, X-ray powder diffraction, and electron microscopy. Pb(II) and Zn(II) react rapidly with EL to form highly structured, spherulitic, luminescent crystallites that aggregate. Evidence from Fourier transform infrared (FTIR) and scanning electron microscopy/energy dispersive X-ray analysis and high-resolution synchrotron powder X-ray diffraction indicates that these are organic–inorganic hybrid complexes or coordination polymers. FTIR absorbance peaks at ca. 1540 cm^–1 for Pb(II) and ca. 1580 cm^–1 for Zn(II) are consistent with the formation of carboxylate complexes. The complexes formed offer insight into the degradation processes observed in oil paint films, suggesting that soap formation is rapid when metal ions are solubilized and can occur with unsaturated fatty acids that are present in fresh oils. These complexes may account for the atypical luminescence observed in lead-containing cured oil paint films.

Nickel(II) and copper(II) complexes of N,N-dialkyl-N‧-3-chlorobenzoylthiourea: Synthesis, characterization, crystal structures, Hirshfeld surfaces and antimicrobial activity

Science.gov (United States)

Binzet, Gun; Gumus, Ilkay; Dogen, Aylin; Flörke, Ulrich; Kulcu, Nevzat; Arslan, Hakan

2018-06-01

We synthesized four new N,N-dialkyl-N‧-3-chlorobenzoylthiourea ligands (Alkyl: Dimethyl, diethyl, di-n-propyl and di-n-butyl) and their metal complexes with copper and nickel atoms. The structure of all synthesized compounds was fully characterized by physicochemical, spectroscopic and single crystal X-ray diffraction analysis techniques. The physical, spectral and analytical data of the newly synthesized metal complexes have shown the formation of 1:2 (metal:ligand) ratio. The benzoylthiourea ligands coordinate with metal atoms through oxygen and sulphur atoms. The metal atoms are in slightly distorted square-planar coordination geometry in Ni(II) or Cu(II) complex. Two oxygen and two sulphur atoms are mutually cis to each other in Ni(II) or Cu(II) complex. The intermolecular contacts in the compounds, which are HL1 and HL3, were examined by Hirshfeld surfaces and fingerprint plots using the data obtained from X-ray single crystal diffraction measurement. Besides these, their antimicrobial activities against Gram-positive bacteria (Bacillus subtilis, Staphylococcus aureus, Streptococcus pyogenes and Enterococcus faecalis) and Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) and anti-yeast activity (Candida glabrata, Candida parapsilosis and Candida albicans) were investigated. This exhibited some promising results towards testing organism. Among all the compounds, Ni(L1)2 complex showed high activity against Bacillus subtilis with MIC values at 7.81 μg/mL.

Three Decades of Volume Change of a Small Greenlandic Glacier Using Ground Penetrating Radar, Structure from Motion, and Aerial Photogrammetry

DEFF Research Database (Denmark)

Marcer, M.; Stentoft, Peter Alexander; Bjerre, Elisa

2017-01-01

Glaciers in the Arctic are losing mass at an increasing rate. Here we use surface topography derived from Structure from Motion (SfM) and ice volume from ground penetrating radar (GPR) to describe the 2014 state of Aqqutikitsoq glacier (2.85 km) on Greenland's west coast. A photogrammetrically...... derived 1985 digital elevation model (DEM) was subtracted from a 2014 DEM obtained using land-based SfM to calculate geodetic glacier mass balance. Furthermore, a detailed 2014 ground penetrating radar survey was performed to assess ice volume. From 1985 to 2014, the glacier has lost 49.8 ± 9.4 10 m...... aerial photography. To address this issue, surface elevation in low contrast areas was measured manually at point locations and interpolated using a universal kriging approach. We conclude that ground-based SfM is well suited to establish high-quality DEMs of smaller glaciers. Provided favorable...

EPR of Cu(II) in sarcosine cadmium chloride: probe into dopant site - symmetry and copper-sarcosine interaction

CERN Document Server

Pathinettam-Padiyan, D; Murugesan, R

2000-01-01

The electron paramagnetic resonance spectra of Cu(II) doped sarcosine cadmium chloride single crystals have been investigated at room temperature. Experimental results reveal that the Cu(II) ion enters the lattice interstitially. The observed superhyperfine lines indicate the superposition of two sets of quintet structure with interaction of nitrogen atoms and the two isotopes of copper. The spin Hamiltonian parameters are evaluated by Schonland method and the electric field symmetry around the copper ion is rhombic. An admixture of d sub z sup 2 orbital with the d sub x sub sup 2 sub - sub y sub sup 2 ground state is observed. Evaluation of MO coefficients reveals that the in-plane interaction between copper and nitrogen is strong in this lattice.

Spectroscopic, Elemental and Thermal Analysis, and Positron Annihilation Studies on Ca(II), Sr(II), Ba(II), Pb(II), and Fe(III) Penicillin G Potassium Complexes

Science.gov (United States)

Refat, M. S.; Sharshara, T.

2015-11-01

The [Pb(Pin)2] · 3H2O, [M(Pin)(H2O)2(Cl)] · nH2O (M = SrII, CaII or BaII; n = 0-1), and [Fe(Pin)2(Cl)(H2O)] · H2O penicillin G potassium (Pin) complexes were synthesized and characterized using elemental analyses, molar conductivity, thermal analysis and electronic spectroscopy techniques. The positron annihilation lifetime (PAL) and Doppler broadening (DB) techniques have been employed to probe the defects and structural changes of Pin ligand and its complexes. The PAL and DB line-shape parameters were discussed in terms of the structure, molecular weight, ligand-metal molar ratio, and other properties of the Pin complexes.

Halide/pseudohalide complexes of cadmium(II) with benzimidazole: Synthesis, crystal structures and fluorescence properties

Science.gov (United States)

Zhao, Hai-Yan; Yang, Fu-Li; Li, Na; Wang, Xiao-Jing

2017-11-01

Two new dinuclear Cd(II) complexes, [CdL1Cl2]2·H2O (1) and [CdL1(N3)2]2·CH3OH (2) and one dicyanamide bridged one-dimensional polynuclear network [CdL1(μ1,5-dca)dca]n (3) of the potentially tridentate NNN-donor Schiff base 2-((1H-benzimidazol-2-yl-ethylimino)-methyl)pyridine (L1) and another dinucler Cd(II) complex [CdL2Cl(dca)]2 (4) of a similar NNN-donor Schiff base ligand 2-((1H-benzimidazol-2-yl-propylimino)-methyl)pyridine (L2), have been synthesized and characterized by elemental analyses, IR and single crystal X-ray crystallography. The ligands L1 and L2 are [1 + 1] condensation products of pyridine-2-carbaldehyde with 2-aminoethyl-1H-benzimidazole and 2-aminopropyl-1H-benzimidazole, respectively. In the complexes 1 and 4 the two Cd(II) centers are held together by the bridged chloride ligands, while in 2 the two Cd(II) centers are bridged by μ1,1-azide ions. Complex 3 has a one-dimensional infinite chain structure in which Cd(II) ions are bridged by single dicyanamide groups in end-to-end fashion. All the metal centers have a distorted octahedral geometry and H-bonding or π⋯π interactions are operative to bind the complex units in the solid state. Furthermore, these complexes have been investigated by thermogravimetric analyses and fluorescence spectra.

Structure and dynamics of solvated Ba(II) in dilute aqueous solution - an ab initio QM/MM MD approach

International Nuclear Information System (INIS)

Hofer, Thomas S.; Rode, Bernd M.; Randolf, Bernhard R.

2005-01-01

Structural properties of the hydrated Ba(II) ion have been investigated by ab initio quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) simulations at double zeta HF quantum mechanical level. The first shell coordination number was found to be 9.3, and several other structural parameters such as angular distribution functions, radial distribution functions and tilt- and θ-angle distributions allowed the full characterization of the hydration structure of the Ba(II) ion in dilute aqueous solution. Velocity autocorrelation functions were used to calculate librational and vibrational motions, ion-ligand motions as well as reorientation times. Different dynamical parameters such as water reorientation, mean ligand residence time, the number of ligand exchange processes and rate constants were also analyzed and the ligand exchange rate constant for the first shell was determined as k = 5.3 x 10 10 s -1

Characteristics of near-field earthquake ground motion

International Nuclear Information System (INIS)

Kim, H. K.; Choi, I. G.; Jeon, Y. S.; Seo, J. M.

2002-01-01

The near-field ground motions exhibit special response characteristics that are different from those of ordinary ground motions in the velocity and displacement response. This study first examines the characteristics of near-field ground motion depending on fault directivity and fault normal and parallel component. And the response spectra of the near field ground motion are statistically processed, and are compared with the Regulatory Guide 1.60 spectrum that is present design spectrum of the nuclear power plant. The response spectrum of the near filed ground motions shows large spectral velocity and displacement in the low frequency range. The spectral accelerations of near field ground motion are greatly amplified in the high frequency range for the rock site motions, and in the low frequency range for the soil site motions. As a result, the near field ground motion effects should be considered in the seismic design and seismic safety evaluation of the nuclear power plant structures and equipment

Synthesis, structure, and magnetic properties of two 1-D helical coordination polymeric Cu(II) complexes

Science.gov (United States)

Bian, He-Dong; Yang, Xiao-E.; Yu, Qing; Chen, Zi-Lu; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng

2008-01-01

Two helical coordination polymeric copper(II) complexes bearing amino acid Schiff bases HL or HL', which are condensed from 2-hydroxy-1-naphthaldehyde with 2-aminobenzoic acid or L-valine, respectively, have been prepared and characterised by X-ray crystallography. In [CuL] n ( 1) the copper(II) atoms are bridged by syn- anti carboxylate groups giving infinite 1-D right-handed helical chains which are further connected by weak C-H⋯Cu interactions to build a 2-D network. While in [CuL'] n ( 2) the carboxylate group acts as a rare monatomic bridge to connect the adjacent copper(II) atoms leading to the formation of a left-handed helical chain. Magnetic susceptibility measurements indicate that 1 exhibits weak ferromagnetic interactions whereas an antiferromagnetic coupling is established for 2. The magnetic behavior can be satisfactorily explained on the basis of the structural data.

Complexes cobalt(II, zinc(II and copper(II with some newly synthesized benzimidazole derivatives and their antibacterial activity

Directory of Open Access Journals (Sweden)

S. O. PODUNAVAC-KUZMANOVIC

1999-05-01

Full Text Available The preparation and properties of some complexes of cobalt(II, zinc(II and copper(II with several newly synthesized benzimidazole derivatives (L are reported. The complexes, of the general formula [MCl2L2] (M=Co(II, Zn(II and [CuCl2L(H2O], have a tetrahedral structure. The complexes were characterized by elemental analysis, molar conductivity, magnetic susceptibility measurements, IR and absorption electronic spectra. The antibacterial activitiy of the benzimidazoles and their complexes was evaluated against Erwinia carotovora subsp. carotovora and Erwinia amylovora. The complexes were found to be more toxic than the ligands.

Magneto-structural correlations in trinuclear Cu(II) complexes: a density functional study

CERN Document Server

Rodríguez-Forteá, A; Alvarez, S; Centre-De Recera-En-Quimica-Teorica; Alemany, P A; Centre-De Recera-En-Quimica-Teorica

2003-01-01

Density functional theoretical methods have been used to study magneto-structural correlations for linear trinuclear hydroxo-bridged copper(II) complexes. The nearest-neighbor exchange coupling constant shows very similar trends to those found earlier for dinuclear compounds for which the Cu-O-Cu angle and the out of plane displacement of the hydrogen atoms at the bridge are the two key structural factors that determine the nature of their magnetic behavior. Changes in these two parameters can induce variations of over 1000 cm sup - sup 1 in the value of the nearest-neighbor coupling constant. On the contrary, coupling between next-nearest neighbors is found to be practically independent of structural changes with a value for the coupling constant of about -60 cm sup - sup 1. The magnitude calculated for this coupling constant indicates that considering its value to be negligible, as usually done in experimental studies, can lead to considerable errors, especially for compounds in which the nearest-neighbor c...

An Overview of Materials Structures for Extreme Environments Efforts for 2015 SBIR Phases I and II

Science.gov (United States)

Nguyen, Hung D.; Steele, Gynelle C.

2017-01-01

Technological innovation is the overall focus of NASA's Small Business Innovation Research (SBIR) program. The program invests in the development of innovative concepts and technologies to help NASA's mission directorates address critical research and development needs for Agency projects. This report highlights innovative SBIR 2015 Phase I and II projects that specifically address areas in Materials and Structures for Extreme Environments, one of six core competencies at NASA Glenn Research Center. Each article describes an innovation, defines its technical objective, and highlights NASA applications as well as commercial and industrial applications. Ten technologies are featured: metamaterials-inspired aerospace structures, metallic joining to advanced ceramic composites, multifunctional polyolefin matrix composite structures, integrated reacting fluid dynamics and predictive materials degradation models for propulsion system conditions, lightweight inflatable structural airlock (LISA), copolymer materials for fused deposition modeling 3-D printing of nonstandard plastics, Type II strained layer superlattice materials development for space-based focal plane array applications, hydrogenous polymer-regolith composites for radiation-shielding materials, a ceramic matrix composite environmental barrier coating durability model, and advanced composite truss printing for large solar array structures. This report serves as an opportunity for NASA engineers, researchers, program managers, and other personnel to learn about innovations in this technology area as well as possibilities for collaboration with innovative small businesses that could benefit NASA programs and projects.

Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: Energetics, occupancy, and vibrationally averaged cluster structures

Science.gov (United States)

Sebastianelli, Francesco; Xu, Minzhong; Bačić, Zlatko

2008-12-01

We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H2 (p-H2) and ortho-D2 (o-D2) molecules inside the large hexakaidecahedral (51264) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H2)n and (o-D2)n clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H2)4. At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H2 or D2 molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D2 molecules, their mean distance from the cage center, the D2-D2 separation, and the specific orientation and localization of the tetrahedral (D2)4 cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D2 occupancy.

Ferromagnetic dinuclear mixed-valence Mn(II)/Mn(III) complexes: building blocks for the higher nuclearity complexes. structure, magnetic properties, and density functional theory calculations.

Science.gov (United States)

Hänninen, Mikko M; Välivaara, Juha; Mota, Antonio J; Colacio, Enrique; Lloret, Francesc; Sillanpää, Reijo

2013-02-18

A series of six mixed-valence Mn(II)/Mn(III) dinuclear complexes were synthesized and characterized by X-ray diffraction. The reactivity of the complexes was surveyed, and structures of three additional trinuclear mixed-valence Mn(III)/Mn(II)/Mn(III) species were resolved. The magnetic properties of the complexes were studied in detail both experimentally and theoretically. All dinuclear complexes show ferromagnetic intramolecular interactions, which were justified on the basis of the electronic structures of the Mn(II) and Mn(III) ions. The large Mn(II)-O-Mn(III) bond angle and small distortion of the Mn(II) cation from the ideal square pyramidal geometry were shown to enhance the ferromagnetic interactions since these geometrical conditions seem to favor the orthogonal arrangement of the magnetic orbitals.

Crystal structure of the catalytic core domain of the family 6 cellobiohydrolase II, Cel6A, from Humicola insolens, at 1.92 A resolution.

Science.gov (United States)

Varrot, A; Hastrup, S; Schülein, M; Davies, G J

1999-01-15

The three-dimensional structure of the catalytic core of the family 6 cellobiohydrolase II, Cel6A (CBH II), from Humicola insolens has been determined by X-ray crystallography at a resolution of 1.92 A. The structure was solved by molecular replacement using the homologous Trichoderma reesei CBH II as a search model. The H. insolens enzyme displays a high degree of structural similarity with its T. reesei equivalent. The structure features both O- (alpha-linked mannose) and N-linked glycosylation and a hexa-co-ordinate Mg2+ ion. The active-site residues are located within the enclosed tunnel that is typical for cellobiohydrolase enzymes and which may permit a processive hydrolysis of the cellulose substrate. The close structural similarity between the two enzymes implies that kinetics and chain-end specificity experiments performed on the H. insolens enzyme are likely to be applicable to the homologous T. reesei enzyme. These cast doubt on the description of cellobiohydrolases as exo-enzymes since they demonstrated that Cel6A (CBH II) shows no requirement for non-reducing chain-ends, as had been presumed. There is no crystallographic evidence in the present structure to support a mechanism involving loop opening, yet preliminary modelling experiments suggest that the active-site tunnel of Cel6A (CBH II) is too narrow to permit entry of a fluorescenyl-derivatized substrate, known to be a viable substrate for this enzyme.

Towards the design of a RF-harvesting EBG ground plane

NARCIS (Netherlands)

Visser, H.J.; Keyrouz, S.

2015-01-01

Electromagnetic Band Gap (EBG) structures may be used to create magnetic conductors that can be used as ground planes for dipole and loop-like antennas without annihilating the radiation as electrically conducting ground planes would do. An EBG ground plane may be created by placing a Frequency

Forced vibration tests of a model foundation on rock ground

International Nuclear Information System (INIS)

Kisaki, N.; Siota, M.; Yamada, M.; Ikeda, A.; Tsuchiya, H.; Kitazawa, K.; Kuwabara, Y.; Ogiwara, Y.

1983-01-01

The response of very stiff structures, such as nuclear reactor buildings, to earthquake ground motion is significantly affected by radiation damping due to the soil-structure interaction. The radiation damping can be computed by vibration admittance theory or dynamical ground compliance theory. In order to apply the values derived from these theories to the practical problems, comparative studies between theoretical results and experimental results concerning the soil-structure interaction, especially if the ground is rock, are urgently needed. However, experimental results for rock are less easily obtained than theoretical ones. The purpose of this paper is to describe the harmonic excitation tests of a model foundation on rock and to describe the results of comparative studies. (orig./HP)

Synthesis of new electroactive polymers by ion-exchange replacement of Mg(II) by 2H+ or Zn(II) cations inside Mg(II) polyporphine film, with their subsequent electrochemical transformation to condensed-structure materials

International Nuclear Information System (INIS)

Konev, Dmitry V.; Devillers, Charles H.; Lizgina, Ksenia V.; Zyubina, Tatiana S.; Zyubin, Alexander S.; Maiorova- Valkova, Larisa A.; Vorotyntsev, Mikhail A.

2014-01-01

It has been demonstrated that the treatment of the magnesium polyporphine of type I, pMgP-I, by trifluoroacetic acid in acetonitrile may be used to replace initial central Mg(II) cations inside the monomeric macrocycle units by protons, to get a new electroactive polymer, “free-base polyporphine of type I”, pH 2 P-I. In its turn, these inserted protons may be replaced by Zn(II) cations via the film treatment with zinc acetate in organic solvent, to get another new electroactive polymer, “zinc polyporphine of type I”, pZnP-I. These changes of central ions inside monomer units manifest themselves by characteristic modifications of their electroactive properties as well as of UV–visible and IR spectra. Similar to the magnesium polyporphine of type I, pMgP-I, studied in our previous paper (Electrochim. Acta, 2010, 55, 6703) both new polymers are subject to an irreversible electrooxidative transformation into the corresponding polyporphines of type II, pH 2 P-II and pZnP-II. All these polyporphines of type II demonstrate a very broad range of their redox activity, without any potential interval of non-electroactivity. It means that they represent electroactive polymers with a zero-width band gap in the neutral state of the polymer and the Fermi level is located into a broad electronic band for a wide range of the positive and negative oxidation states. Expected molecular structures of all these polymers are discussed

Seismic design technology for breeder reactor structures. Volume 1. Special topics in earthquake ground motion

International Nuclear Information System (INIS)

Reddy, D.P.

1983-04-01

This report is divided into twelve chapters: seismic hazard analysis procedures, statistical and probabilistic considerations, vertical ground motion characteristics, vertical ground response spectrum shapes, effects of inclined rock strata on site response, correlation of ground response spectra with intensity, intensity attenuation relationships, peak ground acceleration in the very mean field, statistical analysis of response spectral amplitudes, contributions of body and surface waves, evaluation of ground motion characteristics, and design earthquake motions

Exploring 3D non-interpenetrated metal-organic framework with malonate-bridged Co(II) coordination polymer: structural elucidation and theoretical study

Science.gov (United States)

Hossain, Anowar; Mandal, Tripti; Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Frontera, Antonio; Seth, Saikat Kumar; Mukhopadhyay, Subrata

2017-12-01

A Co(II)-based coordination polymer with tetranuclear cobalt(II)-malonate cluster has been easily generated by aqueous medium self-assembly from Cobalt(II) chloride hexahydrate and malonic acid. The structure exhibits a non-interpenetrating, highly undulating two-dimensional (2D) bi-layer network with (4,4) topology. The crystal structure is composed of infinite interdigitated 2D metal-organic bi-layers which extended to an intricate 3D framework through the interbilayer hydrogen bonds. We have studied energetically by means of Density Functional Theory (DFT) calculations the H-bonding interactions that connect the 2D metal-organic bi-layers. The finite theoretical models have been used to compute conventional O‒H•••O and unconventional C‒H•••O interactions which plays a key role to build 3D architecture.

Synthesis and Crystal Structures of Luminescent Mononuclear Ni(ii and Cd(ii Complexes with 1,10-phenanthroline

Directory of Open Access Journals (Sweden)

Ecaterina Tocana

2017-12-01

Full Text Available New supramolecular systems of Ni(II and Cd(II with 1,10-phenanthroline constructed by non-covalent interactions have been synthesized and characterized by single-crystal X-ray diffractometry. The smaller nickel(II ion forms a cis complex with outer-sphere perchlorates, while the cadmium(II ion forms a trans complex involving inner-sphere perchlorates. Both compoundsrevealintraligand-basedluminescentproperties.

Sensitivity of broad-band ground-motion simulations to earthquake source and Earth structure variations: an application to the Messina Straits (Italy)

KAUST Repository

Imperatori, W.; Mai, Paul Martin

2012-01-01

We find that ground-motion variability associated to differences in crustal models is constant and becomes important at intermediate and long periods. On the other hand, source-induced ground-motion variability is negligible at long periods and strong at intermediate-short periods. Using our source-modelling approach and the three different 1-D structural models, we investigate shaking levels for the 1908 Mw 7.1 Messina earthquake adopting a recently proposed model for fault geometry and final slip. Our simulations suggest that peak levels in Messina and Reggio Calabria must have reached 0.6-0.7 g during this earthquake.

Nonlinear Aerodynamic and Nonlinear Structures Interations (NANSI) Methodology for Ballute/Inflatable Aeroelasticity in Hypersonic Atmospheric Entry, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — ZONA proposes a phase II effort to fully develop a comprehensive methodology for aeroelastic predictions of the nonlinear aerodynamic/aerothermodynamic - structure...

Mitigating ground vibration by periodic inclusions and surface structures

DEFF Research Database (Denmark)

Andersen, Lars Vabbersgaard; Bucinskas, Paulius; Persson, Peter

2016-01-01

Ground vibration from traffic is a source of nuisance in urbanized areas. Trenches and wave barriers can provide mitigation of vibrations, but single barriers need to have a large depth to be effective-especially in the low-frequency range relevant to traffic-induced vibration. Alternatively...

Seymour Benzer and T4 rII

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 13; Issue 10. Seymour Benzer and T4 rII - Running the Map into the Ground. R Jayaraman. General Article Volume 13 Issue 10 October 2008 pp 898-908. Fulltext. Click here to view fulltext PDF. Permanent link:

Syntheses of polystyrene supported chelating resin containing the Schiff base derived from salicylaldehyde and triethylene tetramine and its copper(II), nickel(II), cobalt(II), iron(III), zinc(II), cadmium(II), molybdenum(VI), zirconium(IV) and uranium(VI) complexes

International Nuclear Information System (INIS)

Syamal, A.; Singh, M.M.

1998-01-01

A new polymer-anchored chelating ligand has been synthesized by the reaction of chloromethylated polystyrene (containing 0.94 mmol of Cl per gram of resin and 1% cross-linked with divinylbenzene) and the Schiff base derived from salicylaldehyde and triethylenetetramine. A new series of polystyrene supported, Cu(II), Ni(II), Co(II), Fe(III), Zn(II), Cd(II), Zr(IV), dioxomolybdenum (VI) and dioxouranium (VI) complexes of the formulae PS-LCu, PS-LNi, PS-LCo, PS-LFeCl.DMF, PS-LZn, PS-LCd, PS-LZr(OH) 2 . DMF, PS L MoO 2 and PS-LUO 2 (where PS-LH 2 = polymer-anchored Schiff base and DMF dimethyl-formamide) have been synthesized and characterised by elemental analysis, infrared, electronic spectra and magnetic susceptibility measurements. The complexes PS-LCu, PS-LNi and PS-LCo have square planar structure, PS-LFeCl.DMF, PS-LMoO 2 and PS-LUO 2 have octahedral structure, PS L Zn and PS-LCd are tetrahedral and PS-LZr(OH) 2 .DMF is pentagonal bipyramidal. The polymer-anchored Cu(II), Co(II) and Fe(III) complexes are paramagnetic while Ni(II), Zn(II), Cd(II), Zr(IV), dioxomolybdenum(VI) and dioxouranium(VI) complexes are diamagnetic. The negative shift of the v (C=N) (azomethine) and the positive shift of v (C--O)(phenolic) are indicative of ONNO donor behaviour of the polymer-anchored Schiff base. (author)

Carborane-containing urea-based inhibitors of glutamate carboxypeptidase II: Synthesis and structural characterization

Czech Academy of Sciences Publication Activity Database

Youn, S.; Kim, K.I.; Ptáček, Jakub; Ok, K.; Nováková, Zora; Kim, Y.; Koo, J.; Bařinka, Cyril; Byun, Y.

2015-01-01

Roč. 25, č. 22 (2015), s. 5232-5236 ISSN 0960-894X R&D Projects: GA ČR GAP301/12/1513; GA MŠk(CZ) ED1.1.00/02.0109 Grant - others:GA MŠk(CZ) CZ.1.07/2.3.00/30.0045 Institutional support: RVO:86652036 Keywords : Carborane * Glutamate carboxypeptidase II * X-ray crystal structure Subject RIV: FR - Pharmacology ; Medidal Chemistry Impact factor: 2.486, year: 2015

Structure and potential energy function investigation on UH and UH2 molecules

International Nuclear Information System (INIS)

Luo Deli; Liu Xiaoya; Jiang Gang; Meng Daqiao; Zhu Zhenghe

2001-01-01

Density functional (B3LYP) method with Relativistic Effective Core Potential (RECP) have been used to optimize the structures and to calculate the potential energy function both for the ground and excited states of UH and UH 2 molecules. Results show that the ground state of UH and UH 2 molecules are X 4 II and X 3 A 2 , which belongs to C2v symmetry, and the disassociation energies are 2.886 eV and 5.249 ev respectively, and the spectral data of UH and UH 2 have also been derived both for the ground and excited state. The potential energy function of UH and UH 2 have been derived based on normal equation fitting method and the many-body expansion theory. The information is useful to mechanism analysis of the aging effect of the hydrogen storage material

Coordination-organometallic hybrid materials based on the trinuclear M(II)-Ru(II) (M=Ni and Zn) complexes: Synthesis, structural characterization, luminescence and electrochemical properties

Science.gov (United States)

Pawal, S. B.; Lolage, S. R.; Chavan, S. S.

2018-02-01

A new series of trinuclear complexes of the type Ni[R-C6H4Ndbnd CH(O)C6H3Ctbnd CRu(dppe)2Cl]2 (1a-c) and Zn[Rsbnd C6H4Ndbnd CH(O)C6H3Ctbnd CRu(dppe)2Cl]2 (2a-c) have been prepared from the reaction of trans-[RuCl(dppe)2Ctbnd Csbnd C6H3(OH)(CHO)] (1) with aniline, 4-nitroaniline and 4-methoxyaniline (R1-3) in presence of nickel acetate and zinc acetate in CH2Cl2/MeOH (1:1) mixture. The structural properties of the complexes have been characterized by elemental analyses and spectroscopic techniques viz. FTIR, UV-Visible, 1H NMR and 31P NMR spectral studies. The crystal structure and morphology of the hybrid complexes was investigated with the help of X-ray powder diffraction (XRPD), Scanning electron microscopy (SEM) and Transmission electron microscopy (TEM). The thermal properties of 1a-c and 2a-c were studied by thermogravimetric (TG) analysis. The electrochemical behaviour of the complexes reveals that all complexes displayed a quasireversible redox behaviour corresponding to Ru(II)/Ru(III) and Ni(II)/Ni(III) couples for 1a-c and only Ru(II)/Ru(III) couple for 2a-c. All complexes are emissive in solution at room temperature revealing the influence of substituents and solvent polarity on emission properties of the complexes.

Simple Assessment of Post-Grounding Loads and Strength of Ships

DEFF Research Database (Denmark)

Paik, Jeom Kee; Pedersen, Preben Terndrup

1997-01-01

The aim of the present study is to determine the sectional forces induced by the ship grounding and also to assess the residual strength of grounded ship hulls. An analytical approach is used to estimate the grounding- induced sectional forces of ships. The extent and location of structural damage...

Physical disturbance to ecological niches created by soil structure alters community composition of methanotrophs.

Science.gov (United States)

Kumaresan, Deepak; Stralis-Pavese, Nancy; Abell, Guy C J; Bodrossy, Levente; Murrell, J Colin

2011-10-01

Aggregates of different sizes and stability in soil create a composite of ecological niches differing in terms of physico-chemical and structural characteristics. The aim of this study was to identify, using DNA-SIP and mRNA-based microarray analysis, whether shifts in activity and community composition of methanotrophs occur when ecological niches created by soil structure are physically perturbed. Landfill cover soil was subject to three treatments termed: 'control' (minimal structural disruption), 'sieved' (sieved soil using 2 mm mesh) and 'ground' (grinding using mortar and pestle). 'Sieved' and 'ground' soil treatments exhibited higher methane oxidation potentials compared with the 'control' soil treatment. Analysis of the active community composition revealed an effect of physical disruption on active methanotrophs. Type I methanotrophs were the most active methanotrophs in 'sieved' and 'ground' soil treatments, whereas both Type I and Type II methanotrophs were active in the 'control' soil treatment. The result emphasize that changes to a particular ecological niche may not result in an immediate change to the active bacterial composition and change in composition will depend on the ability of the bacterial communities to respond to the perturbation. © 2011 Society for Applied Microbiology and Blackwell Publishing Ltd.

Catecholase activity of dicopper(II)-bispidine complexes: stabilities and structures of intermediates, kinetics and reaction mechanism.

Science.gov (United States)

Born, Karin; Comba, Peter; Daubinet, André; Fuchs, Alexander; Wadepohl, Hubert

2007-01-01

A mechanism for the oxidation of 3,5-di-tert-butylcatechol (dtbc) with dioxygen to the corresponding quinone (dtbq), catalyzed by bispidine-dicopper complexes (bispidines are various mono- and dinucleating derivatives of 3,7-diazabicyclo[3.3.1]nonane with bis-tertiary-amine-bispyridyl or bis-tertiary-amine-trispyridyl donor sets), is proposed on the basis of (1) the stoichiometry of the reaction as well as the stabilities and structures [X-ray, density functional theory (B3LYP, TZV)] of the bispidine-dicopper(II)-3,4,5,6-tetrachlorcatechol intermediates, (2) formation kinetics and structures (molecular mechanics, MOMEC) of the end-on peroxo-dicopper(II) complexes and (3) kinetics of the stoichiometric (anaerobic) and catalytic (aerobic) copper-complex-assisted oxidation of dtbc. This involves (1) the oxidation of the dicopper(I) complexes with dioxygen to the corresponding end-on peroxo-dicopper(II) complexes, (2) coordination of dtbc as a bridging ligand upon liberation of H(2)O(2) and (3) intramolecular electron transfer to produce dtbq, which is liberated, and the dicopper(I) catalyst. Although the bispidine complexes have reactivities comparable to those of recently published catalysts with macrocyclic ligands, which seem to reproduce the enzyme-catalyzed process in various reaction sequences, a strikingly different oxidation mechanism is derived from the bispidine-dicopper-catalyzed reaction.

Processing convexity and concavity along a 2-D contour: figure-ground, structural shape, and attention.

Science.gov (United States)

Bertamini, Marco; Wagemans, Johan

2013-04-01

Interest in convexity has a long history in vision science. For smooth contours in an image, it is possible to code regions of positive (convex) and negative (concave) curvature, and this provides useful information about solid shape. We review a large body of evidence on the role of this information in perception of shape and in attention. This includes evidence from behavioral, neurophysiological, imaging, and developmental studies. A review is necessary to analyze the evidence on how convexity affects (1) separation between figure and ground, (2) part structure, and (3) attention allocation. Despite some broad agreement on the importance of convexity in these areas, there is a lack of consensus on the interpretation of specific claims--for example, on the contribution of convexity to metric depth and on the automatic directing of attention to convexities or to concavities. The focus is on convexity and concavity along a 2-D contour, not convexity and concavity in 3-D, but the important link between the two is discussed. We conclude that there is good evidence for the role of convexity information in figure-ground organization and in parsing, but other, more specific claims are not (yet) well supported.

Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties

Energy Technology Data Exchange (ETDEWEB)

Jiang Xianrong; Yuan Hongyan [Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China); Feng Yunlong, E-mail: sky37@zjnu.edu.cn [Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China)

2012-07-15

Five Zn(II) and Cd(II) coordination polymers, [Zn{sub 2}(BOABA)(bpp)(OH)]{center_dot}0.5H{sub 2}O (1), [Cd{sub 3}(BOABA){sub 2}(bpp){sub 2}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O (2), [Cd{sub 3}(BOABA){sub 2}(2,2 Prime -bipy){sub 3}(H{sub 2}O){sub 4}]{center_dot}5.5H{sub 2}O (3), [CdNa(BOABA)(H{sub 2}O)]{sub 2}{center_dot}H{sub 2}O (4) and [Cd{sub 2}(BOABA)(bimb)Cl(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) (H{sub 3}BOABA=3,5-bis-oxyacetate-benzoic acid, bpp=1,3-bi(4-pyridyl)propane, 2,2 Prime -bipy=2,2 Prime -bipyridine, bimb=1,4-bis(imidazol-1 Prime -yl)butane), have been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectra and TG analyses. 1 is an uninodal 4-connected 2D square grid network based on binuclear zinc clusters. 2 is 2D wavelike layer structure and further linked by hydrogen bonds into the final 3D (5,6,6)-connected topology network. 3 is 3-connected 2D topology network and the 2,2 Prime -bipy ligands decorate in two different types. 4 is a (4,8)-connected 2D topology network with heterocaryotic {l_brace}Cd{sub 2}Na{sub 2}{r_brace} clusters and BOABA{sup 3-} ligands. 5 can be rationalized as a (3,10)-connected 3D topology network with tetranuclear {l_brace}Cd{sub 4}Cl{sub 2}{r_brace} clusters and BOABA{sup 3-} ligands. Meanwhile, photoluminescence studies revealed that these five coordination polymers display strong fluorescent emission bands in the solid state at room temperature. - Graphical abstract: Five new d{sup 10} metal(II) coordination polymers based on H{sub 3}BOABA ligand were obtained and characterized. They display different topological structures and luminescent properties. Highlights: Black-Right-Pointing-Pointer Five d{sup 10} metal(II) polymers based on 3,5-bis-oxyacetate-benzoic acid were obtained. Black-Right-Pointing-Pointer The polymers were structurally characterized by single-crystal X-ray diffraction. Black-Right-Pointing-Pointer Polymers 1-5 display different

Structural, spectral and magnetic studies of two Co(II)-N-heterocyclic diphosphonates based on multinuclear units

Science.gov (United States)

Zhao, Chen; Ma, Kui-Rong; Zhang, Yu; Kan, Yu-He; Li, Rong-Qing; Hu, Hua-You

2016-01-01